Opened 15 months ago

Last modified 15 months ago

#16003 closed defect

ChimeraX bug report submission — at Initial Version

Reported by: chimerax-bug-report@… Owned by:
Priority: normal Milestone:
Component: Window Toolkit Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-14.5-x86_64-i386-64bit
ChimeraX Version: 1.8 (2024-06-10 23:15:52 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Thread 0x000070002d6e0000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 579 in _handle_results
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000070002c6dd000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 531 in _handle_tasks
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000070002b6da000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/selectors.py", line 415 in select
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/connection.py", line 930 in wait
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 502 in _wait_for_updates
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 522 in _handle_workers
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000070002a6d7000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000296d4000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000286d1000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000276ce000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000266cb000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000256c8000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000246c5000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000236c2000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000226bf000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000216bc000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00007000206b9000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000070001f6b6000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000070001e6b3000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000070001d6b0000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000070001c6ad000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000070001b6aa000 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Current thread 0x00007ff85683bfc0 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 315 in event_loop
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1003 in init
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1166 in 
  File "", line 88 in _run_code
  File "", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.pdb_lib._load_libs, chimerax.surface._surface, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, psutil._psutil_osx, psutil._psutil_posix, lxml._elementpath, lxml.etree, chimerax.atom_search.ast, chimerax.chem_group._chem_group (total: 62)


{"app_name":"ChimeraX","timestamp":"2024-09-24 10:47:31.00 +1000","app_version":"1.8.0","slice_uuid":"194a3167-3db5-3029-8d22-1d742b826bb9","build_version":"1.8.0.0","platform":1,"bundleID":"edu.ucsf.cgl.ChimeraX","share_with_app_devs":1,"is_first_party":0,"bug_type":"309","os_version":"macOS 14.5 (23F79)","roots_installed":0,"name":"ChimeraX","incident_id":"7EDB3D2F-8F0E-4D4F-93BD-42F25546889B"}
{
  "uptime" : 73000,
  "procRole" : "Background",
  "version" : 2,
  "userID" : 501,
  "deployVersion" : 210,
  "modelCode" : "MacBookPro16,1",
  "coalitionID" : 9052,
  "osVersion" : {
    "train" : "macOS 14.5",
    "build" : "23F79",
    "releaseType" : "User"
  },
  "captureTime" : "2024-09-24 10:47:16.2949 +1000",
  "codeSigningMonitor" : 0,
  "incident" : "7EDB3D2F-8F0E-4D4F-93BD-42F25546889B",
  "pid" : 40507,
  "cpuType" : "X86-64",
  "roots_installed" : 0,
  "bug_type" : "309",
  "procLaunch" : "2024-09-23 17:24:08.5000 +1000",
  "procStartAbsTime" : 72180791856272,
  "procExitAbsTime" : 73720859885521,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.8.app\/Contents\/MacOS\/ChimeraX",
  "bundleInfo" : {"CFBundleShortVersionString":"1.8.0","CFBundleVersion":"1.8.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
  "storeInfo" : {"deviceIdentifierForVendor":"C3BA8B9E-1138-5FA2-8C81-49936FF253EE","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "324B8216-C495-C2F1-1769-3322C698A086",
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 4294967295,
  "wakeTime" : 8,
  "bridgeVersion" : {"build":"21P5077","train":"8.5"},
  "sleepWakeUUID" : "A7C2F5A5-A2ED-4422-9809-82B4FC869088",
  "sip" : "enabled",
  "vmRegionInfo" : "0 is not in any region.  Bytes before following region: 4524302336\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      __TEXT                      10dab6000-10daba000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.8.app\/Contents\/MacOS\/ChimeraX",
  "exception" : {"codes":"0x0000000000000001, 0x0000000000000000","rawCodes":[1,0],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000000"},
  "termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":40507},
  "ktriageinfo" : "VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\n",
  "vmregioninfo" : "0 is not in any region.  Bytes before following region: 4524302336\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      __TEXT                      10dab6000-10daba000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.8.app\/Contents\/MacOS\/ChimeraX",
  "extMods" : {"caller":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"system":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"targeted":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"warnings":0},
  "faultingThread" : 0,
  "threads" : 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    "path" : "\/usr\/lib\/system\/libdispatch.dylib",
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    "size" : 4829181,
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    "path" : "\/System\/Library\/Frameworks\/Carbon.framework\/Versions\/A\/Frameworks\/HIToolbox.framework\/Versions\/A\/HIToolbox",
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===== Log before crash start =====
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_GPR3_8U8F.cxs"

Opened emd_38015_8X2K.map as #4, grid size 320,320,320, pixel 0.85, shown at
level 0.396, step 2, values float32  
Opened emd_38015_8X2K.map copy as #6, grid size 320,320,320, pixel 0.85, shown
at level 0.396, step 1, values float32  
Opened emd_37881_8WW2.map as #5, grid size 256,256,256, pixel 1.1, shown at
level 0.526, step 1, values float32  
Opened emd_37881_8WW2.map copy as #8, grid size 256,256,256, pixel 1.1, shown
at level 0.526, step 1, values float32  
Opened emd_38015_8X2K.map copy as #9, grid size 320,320,320, pixel 0.85, shown
at level 0.396, step 1, values float32  
Opened emd_37881_8WW2.map copy as #11, grid size 256,256,256, pixel 1.1, shown
at level 0.526, step 1, values float32  
Opened emd_42023_8U8F.map as #10, grid size 256,256,256, pixel 0.86, shown at
level 0.364, step 1, values float32  
Opened emd_42023_8U8F.map copy as #13, grid size 256,256,256, pixel 0.86,
shown at level 0.364, step 1, values float32  
Log from Mon Sep 23 15:58:13 2024UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4_GPR3_updated_no8U9F.cxs"

Opened emd_38015_8X2K.map as #4, grid size 320,320,320, pixel 0.85, shown at
level 0.396, step 2, values float32  
Opened emd_38015_8X2K.map copy as #6, grid size 320,320,320, pixel 0.85, shown
at level 0.396, step 1, values float32  
Opened emd_37881_8WW2.map as #5, grid size 256,256,256, pixel 1.1, shown at
level 0.526, step 1, values float32  
Opened emd_37881_8WW2.map copy as #8, grid size 256,256,256, pixel 1.1, shown
at level 0.526, step 1, values float32  
Opened emd_38015_8X2K.map copy as #9, grid size 320,320,320, pixel 0.85, shown
at level 0.396, step 1, values float32  
Opened emd_37881_8WW2.map copy as #11, grid size 256,256,256, pixel 1.1, shown
at level 0.526, step 1, values float32  
Opened emd_42023_8U8F.map as #10, grid size 256,256,256, pixel 0.86, shown at
level 0.167, step 1, values float32  
Log from Mon Sep 23 15:26:47 2024UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_GPR3_with maps.cxs"

Opened emd_38015_8X2K.map as #4, grid size 320,320,320, pixel 0.85, shown at
level 0.396, step 2, values float32  
Opened emd_38015_8X2K.map copy as #6, grid size 320,320,320, pixel 0.85, shown
at level 0.396, step 1, values float32  
Opened emd_37881_8WW2.map as #5, grid size 256,256,256, pixel 1.1, shown at
level 0.526, step 1, values float32  
Opened emd_37881_8WW2.map copy as #8, grid size 256,256,256, pixel 1.1, shown
at level 0.526, step 1, values float32  
Log from Mon Jun 17 15:55:50 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_174_v3.cxs" format session

Opened emd_33479_7XV3.map as #3, grid size 256,256,256, pixel 1.1, shown at
level 1.52, step 1, values float32  
Opened emd_33479_7XV3.map copy as #6, grid size 256,256,256, pixel 1.1, shown
at level 1.52, step 1, values float32  
Opened emd_35838_8IZB.map as #5, grid size 192,192,192, pixel 1.07, shown at
level 0.31, step 1, values float32  
Opened emd_35838_8IZB.map copy as #9, grid size 192,192,192, pixel 1.07, shown
at level 0.31, step 1, values float32  
Opened emd_35838_8IZB.map copy as #10, grid size 192,192,192, pixel 1.07,
shown at level 0.31, step 1, values float32  

Not registering illegal selector name "1_hydrophobic_cleft"  

Not registering illegal selector name "1_head_interact"  

Log from Sun Jun 16 23:57:53 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_174_v3.cxs"

Opened emd_33479_7XV3.map as #3, grid size 256,256,256, pixel 1.1, shown at
level 1.52, step 1, values float32  
Opened emd_33479_7XV3.map copy as #6, grid size 256,256,256, pixel 1.1, shown
at level 1.52, step 1, values float32  
Opened emd_35838_8IZB.map as #5, grid size 192,192,192, pixel 1.07, shown at
level 0.31, step 1, values float32  
Opened emd_35838_8IZB.map copy as #9, grid size 192,192,192, pixel 1.07, shown
at level 0.31, step 1, values float32  
Opened emd_35838_8IZB.map copy as #10, grid size 192,192,192, pixel 1.07,
shown at level 0.31, step 1, values float32  

Not registering illegal selector name "1_hydrophobic_cleft"  

Not registering illegal selector name "1_head_interact"  

Log from Fri Jun 14 01:29:38 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4A_119_LPC.cxs" format session

Opened emd_33525_7xz5.map as #2, grid size 200,200,200, pixel 1.07, shown at
level 0.0208, step 1, values float32  
Opened emd_33525_7xz5.map copy as #4, grid size 200,200,200, pixel 1.07, shown
at level 0.0208, step 1, values float32  
Log from Mon Jun 10 00:01:24 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 7/Figure7C.cxs"

Log from Thu May 30 20:40:46 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NSMB/All Figures-
> draft/Figure7/Figure 7D-GPR61-BRIL fused structure v2.cxs"

Log from Thu Apr 4 16:40:01 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NRE/All Figures-
> draft/Figure 7D-GPR61-BRIL fused structure.cxs"

Log from Mon Apr 1 18:14:01 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NRE/All Figures-
> draft/Fig3B_inactive GPR20 with the map.cxs"

Opened emd_34993_8HSC.map as #4, grid size 288,288,288, pixel 0.832, shown at
level 0.13, step 2, values float32  
Opened emd_34984_8HS3.map as #5, grid size 256,256,256, pixel 0.832, shown at
level 0.148, step 1, values float32  
Opened emd_34983_8HS2.map as #6, grid size 288,288,288, pixel 0.832, shown at
level 0.0931, step 1, values float32  
Opened emd_34983_8HS2.map copy as #8, grid size 288,288,288, pixel 0.832,
shown at level 0.0678, step 1, values float32  
Log from Wed Feb 28 18:29:12 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-
> Monash/NRE/Figure2_DL/Fig2B_GPR21 and 52.cxs"

Not registering illegal selector name "GPR21_binding sites"  

Log from Tue Feb 27 18:06:41 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NRE/Figure2_DL/Aligned
> overall_17_21_52_161.cxs" format session

Log from Wed Feb 14 23:29:37 2024UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "/Users/dongju/Desktop/Research projects-Monash/NRE/Figure 2 -
> Autoactivated/20240206_Figure_2.cxs"

Log from Tue Feb 6 18:08:29 2024UCSF ChimeraX version: 1.5 (2022-11-24)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open
> C:/Users/fbumb/OneDrive/MIPS/papers/GPR_mini_review/Figures/20231026_Figure_2.cxs

Log from Thu Oct 26 20:27:55 2023UCSF ChimeraX version: 1.4 (2022-06-03)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open
> C:\Users\Midget\OneDrive\MIPS\papers\GPR_mini_review\Figures\20231025_Figure_2.cxs
> format session

Log from Thu Oct 26 16:19:56 2023UCSF ChimeraX version: 1.4 (2022-06-03)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open
> C:\Users\Midget\OneDrive\MIPS\papers\GPR_mini_review\Figures\20231025_Figure_2.cxs
> format session

Log from Thu Oct 26 00:31:26 2023You can double click a model's Name or ID in
the model panel to edit those fields  
Updating list of available bundles failed: [Errno 11001] getaddrinfo failed  
UCSF ChimeraX version: 1.4 (2022-06-03)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open
> C:/Users/Midget/OneDrive/MIPS/papers/GPR_mini_review/structures/GPR12_Gs.pdb

GPR12_Gs.pdb title:  
Cryo-em structure of A class A orphan GPCR [more info...]  
  
Chain information for GPR12_Gs.pdb #1  
---  
Chain | Description | UniProt  
A | adenylate cyclase-stimulating G α protein | GNAS2_HUMAN  
B | transducin β chain 1 | GBB1_HUMAN  
G | G γ-I | GBG2_HUMAN  
N | nanobody 35 |   
R | G-protein coupled receptor 12 | GPR12_HUMAN  
  

> open
> C:/Users/Midget/OneDrive/MIPS/papers/GPR_mini_review/structures/GPR17_7y89.pdb

GPR17_7y89.pdb title:  
Structure of the GPR17-gi complex [more info...]  
  
Chain information for GPR17_7y89.pdb #2  
---  
Chain | Description | UniProt  
A | uracil nucleotide/cysteinyl leukotriene receptor | GPR17_HUMAN  
B | transducin β chain 1 | GBB1_HUMAN  
C | adenylate cyclase-inhibiting G α protein | GNAI1_HUMAN  
G | guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit β-1 |   
S | guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit γ-2 |   
  

> open
> C:/Users/Midget/OneDrive/MIPS/papers/GPR_mini_review/structures/GPR21_8hmv.pdb

GPR21_8hmv.pdb title:  
Structure of GPR21-GS complex [more info...]  
  
Chain information for GPR21_8hmv.pdb #3  
---  
Chain | Description | UniProt  
A | probable G-protein coupled receptor 21 | GPR21_HUMAN  
B | transducin β chain 1 | GBB1_HUMAN  
C | adenylate cyclase-stimulating G α protein | GNAS2_HUMAN  
G | G γ-I | GBG2_HUMAN  
N | nanobody NB35 |   
  

> open
> C:/Users/Midget/OneDrive/MIPS/papers/GPR_mini_review/structures/GPR52_6li3.pdb

GPR52_6li3.pdb title:  
Cryo-em structure of GPR52-minigs-NB35 [more info...]  
  
Chain information for GPR52_6li3.pdb #4  
---  
Chain | Description | UniProt  
A | guanine nucleotide-binding protein G(S) subunit α isoforms short | GNAS2_HUMAN  
B | transducin β chain 1 | GBB1_HUMAN  
G | G γ-I | GBG2_HUMAN  
N | nanobody NB35 |   
R | G-protein coupled receptor 52 | GPR52_HUMAN  
  

> ui tool show "Fit to Segments"

> ui tool show "Fit in Map"

QWindowsWindow::setGeometry: Unable to set geometry 3200x1653+0+55 (frame:
3232x1741-16-17) on QWidgetWindow/"MainWindowClassWindow" on "\\\\.\DISPLAY1".
Resulting geometry: 3200x1644+0+56 (frame: 3232x1732-16-16) margins: 16, 72,
16, 16 minimum size: 630x661 MINMAXINFO(maxSize=POINT(x=0, y=0),
maxpos=POINT(x=0, y=0), maxtrack=POINT(x=0, y=0), mintrack=POINT(x=1607,
y=1741)))  

> select add #1

7903 atoms, 8059 bonds, 4 pseudobonds, 1005 residues, 2 models selected  

> select subtract #1

Nothing selected  

> select add #1

7903 atoms, 8059 bonds, 4 pseudobonds, 1005 residues, 2 models selected  

> select subtract #1.1

7903 atoms, 8059 bonds, 1005 residues, 1 model selected  

> select add #1

7903 atoms, 8059 bonds, 4 pseudobonds, 1005 residues, 2 models selected  

> ui tool show "Model Panel"

> hide sel surfaces

> show sel cartoons

> hide sel atoms

> select add #2

16544 atoms, 16886 bonds, 8 pseudobonds, 2115 residues, 4 models selected  

> select add #3

24671 atoms, 25193 bonds, 12 pseudobonds, 3137 residues, 6 models selected  

> select subtract #3.1

24671 atoms, 25193 bonds, 8 pseudobonds, 3137 residues, 5 models selected  

> select add #4

32960 atoms, 33668 bonds, 10 pseudobonds, 4182 residues, 7 models selected  

> select add #3.1

32960 atoms, 33668 bonds, 14 pseudobonds, 4182 residues, 8 models selected  

> select subtract #3

24833 atoms, 25361 bonds, 10 pseudobonds, 3160 residues, 6 models selected  

> select add #3

32960 atoms, 33668 bonds, 14 pseudobonds, 4182 residues, 8 models selected  

> show sel cartoons

> hide sel atoms

> view #3 clip false

> show #!3 target m

> select subtract #4

24671 atoms, 25193 bonds, 12 pseudobonds, 3137 residues, 6 models selected  

> select subtract #3

16544 atoms, 16886 bonds, 8 pseudobonds, 2115 residues, 4 models selected  

> select subtract #2

7903 atoms, 8059 bonds, 4 pseudobonds, 1005 residues, 2 models selected  

> select subtract #1

Nothing selected  

> select add #1/G#3/G#4/G

1308 atoms, 1326 bonds, 171 residues, 3 models selected  

> select add #2/C

2947 atoms, 2990 bonds, 3 pseudobonds, 377 residues, 5 models selected  

> select add #1/A#3/C

6710 atoms, 6821 bonds, 9 pseudobonds, 828 residues, 7 models selected  

> select add #2/S

8482 atoms, 8639 bonds, 10 pseudobonds, 1061 residues, 7 models selected  

> select add #2/G

8894 atoms, 9057 bonds, 10 pseudobonds, 1114 residues, 7 models selected  

> select add #4/A

10883 atoms, 11084 bonds, 11 pseudobonds, 1354 residues, 8 models selected  

> select add #1/N

11844 atoms, 12065 bonds, 11 pseudobonds, 1480 residues, 8 models selected  

> select add #3/N#4/N

13766 atoms, 14031 bonds, 11 pseudobonds, 1732 residues, 8 models selected  

> select add #1/B#2/B#3/B#4/B

24097 atoms, 24550 bonds, 11 pseudobonds, 3077 residues, 8 models selected  

> delete atoms (#!1-4 & sel)

> delete bonds (#!1-4 & sel)

> ui tool show "Volume Viewer"

QWindowsWindow::setGeometry: Unable to set geometry 3200x1730+0+55 (frame:
3232x1818-16-17) on QWidgetWindow/"MainWindowClassWindow" on "\\\\.\DISPLAY1".
Resulting geometry: 3200x1644+0+56 (frame: 3232x1732-16-16) margins: 16, 72,
16, 16 minimum size: 426x692 MINMAXINFO(maxSize=POINT(x=0, y=0),
maxpos=POINT(x=0, y=0), maxtrack=POINT(x=0, y=0), mintrack=POINT(x=1097,
y=1818)))  

QWindowsWindow::setGeometry: Unable to set geometry 3200x1835+0+55 (frame:
3232x1923-16-17) on QWidgetWindow/"MainWindowClassWindow" on "\\\\.\DISPLAY1".
Resulting geometry: 3200x1644+0+56 (frame: 3232x1732-16-16) margins: 16, 72,
16, 16 minimum size: 426x734 MINMAXINFO(maxSize=POINT(x=0, y=0),
maxpos=POINT(x=0, y=0), maxtrack=POINT(x=0, y=0), mintrack=POINT(x=1097,
y=1923)))  

> select add #1

2035 atoms, 2084 bonds, 1 pseudobond, 260 residues, 2 models selected  

> select add #3

4272 atoms, 4392 bonds, 2 pseudobonds, 534 residues, 4 models selected  

> select add #4

6575 atoms, 6768 bonds, 3 pseudobonds, 818 residues, 6 models selected  

> select subtract #4.1

6575 atoms, 6768 bonds, 2 pseudobonds, 818 residues, 5 models selected  

> select add #4.1

6575 atoms, 6768 bonds, 3 pseudobonds, 818 residues, 6 models selected  

> select add #2

8863 atoms, 9118 bonds, 3 pseudobonds, 1105 residues, 7 models selected  

> help help:user

> ui tool show Matchmaker

> matchmaker #!2-4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR17_7y89.pdb, chain A (#2),
sequence alignment score = 311.8  
RMSD between 118 pruned atom pairs is 1.154 angstroms; (across all 256 pairs:
5.669)  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR21_8hmv.pdb, chain A (#3),
sequence alignment score = 398.2  
RMSD between 136 pruned atom pairs is 1.140 angstroms; (across all 255 pairs:
4.042)  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 369.8  
RMSD between 122 pruned atom pairs is 1.221 angstroms; (across all 258 pairs:
5.085)  
  

> matchmaker #!2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR17_7y89.pdb, chain A (#2),
sequence alignment score = 311.8  
RMSD between 118 pruned atom pairs is 1.154 angstroms; (across all 256 pairs:
5.669)  
  

> matchmaker #!3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR21_8hmv.pdb, chain A (#3),
sequence alignment score = 398.2  
RMSD between 136 pruned atom pairs is 1.140 angstroms; (across all 255 pairs:
4.042)  
  

> matchmaker #!4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 369.8  
RMSD between 122 pruned atom pairs is 1.221 angstroms; (across all 258 pairs:
5.085)  
  

> matchmaker #!4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 369.8  
RMSD between 122 pruned atom pairs is 1.221 angstroms; (across all 258 pairs:
5.085)  
  

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> view

> set bgColor white

> lighting soft

> ui tool show "Side View"

QWindowsWindow::setGeometry: Unable to set geometry 3200x1910+0+55 (frame:
3232x1998-16-17) on QWidgetWindow/"MainWindowClassWindow" on "\\\\.\DISPLAY1".
Resulting geometry: 3200x1644+0+56 (frame: 3232x1732-16-16) margins: 16, 72,
16, 16 minimum size: 426x764 MINMAXINFO(maxSize=POINT(x=0, y=0),
maxpos=POINT(x=0, y=0), maxtrack=POINT(x=0, y=0), mintrack=POINT(x=1097,
y=1998)))  

> ui tool show "Side View"

[Repeated 1 time(s)]

> lighting simple

> lighting soft

> lighting full

> lighting soft

> graphics silhouettes true

> lighting flat

[Repeated 1 time(s)]

> lighting soft

> view

> view sel

> ui tool show "Side View"

> hide sel cartoons

[Repeated 1 time(s)]

> show sel cartoons

> interfaces select & ~solvent

Missing or invalid "atoms" argument: invalid atoms specifier  

> interfaces select & ~solvent

Missing or invalid "atoms" argument: invalid atoms specifier  

> cartoon style protein modeHelix default arrows false xsection round width 1
> thickness 1

> ui tool show "Basic Actions"

QWindowsWindow::setGeometry: Unable to set geometry 3200x1750+0+55 (frame:
3232x1838-16-17) on QWidgetWindow/"MainWindowClassWindow" on "\\\\.\DISPLAY1".
Resulting geometry: 3200x1644+0+56 (frame: 3232x1732-16-16) margins: 16, 72,
16, 16 minimum size: 426x700 MINMAXINFO(maxSize=POINT(x=0, y=0),
maxpos=POINT(x=0, y=0), maxtrack=POINT(x=0, y=0), mintrack=POINT(x=1097,
y=1838)))  

> undo

> ui tool show "Surface Color"

QWindowsWindow::setGeometry: Unable to set geometry 3200x2108+0+55 (frame:
3232x2196-16-17) on QWidgetWindow/"MainWindowClassWindow" on "\\\\.\DISPLAY1".
Resulting geometry: 3200x1644+0+56 (frame: 3232x1732-16-16) margins: 16, 72,
16, 16 minimum size: 426x843 MINMAXINFO(maxSize=POINT(x=0, y=0),
maxpos=POINT(x=0, y=0), maxtrack=POINT(x=0, y=0), mintrack=POINT(x=1097,
y=2196)))  

> tile

4 models tiled  

> help help:user

> tile columns 4

4 models tiled  

> help help:user

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> tile columns 4 spacingFactor 4

4 models tiled  

> tile columns 4 spacingFactor 1

4 models tiled  

> tile columns 4 spacingFactor 0.7

4 models tiled  

> color #1/R #dd53ff target c

[Repeated 1 time(s)]

> color #2/A #34ff3b target c

[Repeated 1 time(s)]

> color #3/A #0000ff target c

[Repeated 1 time(s)]

> color #3/A #5555ff target c

[Repeated 1 time(s)]

> color #4/R #ffaaff target c

[Repeated 1 time(s)]

> color #2/A #00ff7f target c

[Repeated 1 time(s)]

> color #1/R #aa557f target c

[Repeated 1 time(s)]

> color #1/R #aa5500 target c

[Repeated 1 time(s)]

> select subtract #1

6828 atoms, 7034 bonds, 2 pseudobonds, 845 residues, 5 models selected  

> select subtract #2

4540 atoms, 4684 bonds, 2 pseudobonds, 558 residues, 4 models selected  

> select subtract #2.1

4540 atoms, 4684 bonds, 2 pseudobonds, 558 residues, 4 models selected  

> select subtract #3

2303 atoms, 2376 bonds, 1 pseudobond, 284 residues, 2 models selected  

> select subtract #4

Nothing selected  

> lighting soft

> lighting simple

> color #1/R #bc5e00 target c

[Repeated 1 time(s)]

> color #1/R #c56300 target c

[Repeated 1 time(s)]

> color #3/A #5582ff target c

[Repeated 1 time(s)]

> save
> C:/Users/Midget/OneDrive/MIPS/papers/GPR_mini_review/Figures/20231025_Figure_2_v1.cxs

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process  
data = sm.take_snapshot(obj, session, self.state_flags)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 225, in take_snapshot  
self.add_webview_state(data)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 260, in add_webview_state  
event_loop.exec_()  
AttributeError: 'QEventLoop' object has no attribute 'exec_'  
  
The above exception was the direct cause of the following exception:  
  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery  
self.processed[key] = self.process(obj, parents)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process  
raise RuntimeError(msg) from e  
RuntimeError: Error while saving session data for 'tools' ->
 ->

'Basic Actions'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save  
session.save(output, version=version, include_maps=include_maps)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save  
mgr.discovery(self._state_containers)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery  
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))  
ValueError: error processing: 'tools' ->  ->  'Basic Actions': Error while saving session data for
'tools' ->  ->

'Basic Actions'  
  
ValueError: error processing: 'tools' -> -> 'Basic Actions': Error while
saving session data for 'tools' -> -> 'Basic Actions'  
  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery  
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process  
data = sm.take_snapshot(obj, session, self.state_flags)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 225, in take_snapshot  
self.add_webview_state(data)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 260, in add_webview_state  
event_loop.exec_()  
AttributeError: 'QEventLoop' object has no attribute 'exec_'  
  
The above exception was the direct cause of the following exception:  
  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery  
self.processed[key] = self.process(obj, parents)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process  
raise RuntimeError(msg) from e  
RuntimeError: Error while saving session data for 'tools' ->
 ->

'Basic Actions'  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in   
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog  
_dlg.display(session, **kw)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display  
run(session, cmd)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run  
results = command.run(text, log=log, return_json=return_json)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run  
result = ci.function(session, **kw_args)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save  
Command(session, registry=registry).run(provider_cmd_text, log=log)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run  
result = ci.function(session, **kw_args)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save  
saver_info.save(session, path, **provider_kw)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save  
return cxs_save(session, path, **kw)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save  
session.save(output, version=version, include_maps=include_maps)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save  
mgr.discovery(self._state_containers)  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery  
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))  
ValueError: error processing: 'tools' ->  ->  'Basic Actions': Error while saving session data for
'tools' ->  ->

'Basic Actions'  
  
ValueError: error processing: 'tools' -> -> 'Basic Actions': Error while
saving session data for 'tools' -> -> 'Basic Actions'  
  
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery  
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))  
  
See log for complete Python traceback.  
  

> save
> C:/Users/Midget/OneDrive/MIPS/papers/GPR_mini_review/Figures/20231025_Figure_2.cxs

——— End of log from Thu Oct 26 00:31:26 2023 ———

opened ChimeraX session  

> select add #1

2035 atoms, 2084 bonds, 1 pseudobond, 260 residues, 2 models selected  

> ui tool show "Show Sequence Viewer"

> sequence chain #1/R

Alignment identifier is 1/R  

> select #1/R:181

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/R:181

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #1/R:188

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/R:188

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #1/R:181

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/R:181

6 atoms, 5 bonds, 1 residue, 1 model selected  

> style sel stick

Changed 6 atom styles  

> select #1/R:186

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/R:186

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #1/R:180

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> select #1/R:193

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/R:193

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #1/R:192

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/R:192

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select #1/R:191

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> select #1/R:113

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #1/R:113

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> select #1/R:114

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/R:114

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> select #1/R:117

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/R:117

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> select #1/R:195

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #1/R:195

7 atoms, 6 bonds, 1 residue, 1 model selected  

> ui tool show "Show Sequence Viewer"

> sequence chain #2/A

Alignment identifier is 2/A  

> select #2/A:204

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:204

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:201

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:201

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:208

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:208

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> select #2/A:209

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:209

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> select #2/A:132

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:132

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> select #2/A:213

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #2/A:213

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> select #2/A:214

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/A:214

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select #2/A:223-238

121 atoms, 124 bonds, 16 residues, 1 model selected  

> select #2/A:163-238

594 atoms, 611 bonds, 76 residues, 1 model selected  

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> select #2/A:308

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/A:308

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> select #2/A:307

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:307

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> select #2/A:139

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/A:139

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> select #2/A:140

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #2/A:140

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> select #2/A:279

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #2/A:279

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> ui tool show "Show Sequence Viewer"

> sequence chain #3/A

Alignment identifier is 3/A  

> select #3/A:170

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #3/A:170

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:176

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #3/A:176

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:174

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select #3/A:174

10 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 10 atom styles  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:173-174

22 atoms, 23 bonds, 2 residues, 1 model selected  

> select #3/A:173

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> select #3/A:168

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:168

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:168

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:168

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 14 atom styles  

> hide sel atoms

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:178

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:178

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:177

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/A:177

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #3/A:179

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #3/A:179

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #3/A:180

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:180

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:181

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:122

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/A:122

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:102

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/A:102

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> lighting soft

> save
> C:/Users/Midget/OneDrive/MIPS/papers/GPR_mini_review/Figures/20231025_Figure_2.cxs

> ui tool show "Show Sequence Viewer"

> sequence chain #4/R

Alignment identifier is 4/R  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:114

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:114

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:193

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:193

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #4/R:69

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:69-129

476 atoms, 489 bonds, 61 residues, 1 model selected  

> select #4/R:67-81

126 atoms, 131 bonds, 15 residues, 1 model selected  

> select #4/R:67-111

350 atoms, 361 bonds, 45 residues, 1 model selected  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:40

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:40

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:182

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:182

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> select #4/R:185

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #4/R:185

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> select #4/R:186

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select #4/R:186

10 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 10 atom styles  

> select #4/R:188

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:188

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> select #4/R:189

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:189

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> select #4/R:190

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:190

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel cartoons

> style sel stick

Changed 11 atom styles  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:281

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:284

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #4/R:284

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:285

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:285

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:300

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:300

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:300

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:300

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> hide sel atoms

> show sel atoms

> style sel ball

Changed 11 atom styles  

> hide sel atoms

> ui tool show "Color Actions"

> color sel byhetero

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> color sel byhetero

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> ui tool show "Show Sequence Viewer"

> sequence chain #3/A

Alignment identifier is 3/A  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> color sel byhetero

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> ui tool show "Show Sequence Viewer"

> sequence chain #2/A

Alignment identifier is 2/A  

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> color sel byhetero

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> ui tool show "Show Sequence Viewer"

> sequence chain #1/R

Alignment identifier is 1/R  

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> color sel byhetero

delivering touch update to same window GraphicsWindow(0x2840860fb50) not
QWidgetWindow(0x28461326800, name="PopupClassWindow")  

delivering touch update to same window QWidgetWindow(0x28461326800,
name="PopupClassWindow") not GraphicsWindow(0x2840860fb50)  

delivering touch update to same window GraphicsWindow(0x2840860fb50) not
QWidgetWindow(0x28461326800, name="PopupClassWindow")  

delivering touch update to same window QWidgetWindow(0x28461326800,
name="PopupClassWindow") not GraphicsWindow(0x2840860fb50)  

delivering touch update to same window GraphicsWindow(0x2840860fb50) not
QWidgetWindow(0x28461326800, name="PopupClassWindow")  

delivering touch update to same window QWidgetWindow(0x28461326800,
name="PopupClassWindow") not GraphicsWindow(0x2840860fb50)  

delivering touch update to same window GraphicsWindow(0x2840860fb50) not
QWidgetWindow(0x28461326800, name="PopupClassWindow")  

delivering touch update to same window QWidgetWindow(0x28461326800,
name="PopupClassWindow") not GraphicsWindow(0x2840860fb50)  

delivering touch update to same window GraphicsWindow(0x2840860fb50) not
QWidgetWindow(0x28461326800, name="PopupClassWindow")  

delivering touch update to same window QWidgetWindow(0x28461326800,
name="PopupClassWindow") not GraphicsWindow(0x2840860fb50)  

delivering touch update to same window GraphicsWindow(0x2840860fb50) not
QWidgetWindow(0x28461326800, name="PopupClassWindow")  

delivering touch update to same window QWidgetWindow(0x28461326800,
name="PopupClassWindow") not GraphicsWindow(0x2840860fb50)  

delivering touch update to same window GraphicsWindow(0x2840860fb50) not
QWidgetWindow(0x28461326800, name="PopupClassWindow")  

delivering touch update to same window QWidgetWindow(0x28461326800,
name="PopupClassWindow") not GraphicsWindow(0x2840860fb50)  

> ui tool show "Side View"

> tile columns 4 spacingFactor 0.7

4 models tiled  

> lighting soft

> view

> ui tool show "Side View"

> tile columns 4 spacingFactor 0.7

4 models tiled  

> tile columns 4 spacingFactor 0.7

4 models tiled  

> lighting flat

> lighting soft

> lighting shadows true intensity 0.5

> lighting simple

> lighting full

[Repeated 1 time(s)]

> lighting soft

> save
> C:/Users/Midget/OneDrive/MIPS/papers/GPR_mini_review/Figures/20231025_Figure_2.cxs

——— End of log from Thu Oct 26 16:19:56 2023 ———

opened ChimeraX session  

> ui tool show "Show Sequence Viewer"

> sequence chain #4/R

Alignment identifier is 4/R  

> select #4/R:155-156

13 atoms, 13 bonds, 2 residues, 1 model selected  

> select #4/R:149-156

64 atoms, 65 bonds, 8 residues, 1 model selected  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:185-186

22 atoms, 23 bonds, 2 residues, 1 model selected  

> select #4/R:183-186

33 atoms, 35 bonds, 4 residues, 1 model selected  

> select #4/R:182

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:178-182

42 atoms, 44 bonds, 5 residues, 1 model selected  

> select #4/R:181

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #4/R:181

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #4/R:182

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:179

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #4/R:179

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #4/R:199

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #4/R:199

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #4/R:179-199

171 atoms, 180 bonds, 21 residues, 1 model selected  

> color sel light sea green

> select #4/R:246

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:246

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> color sel byhetero

> select #4/R:71

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:71

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> color sel byhetero

> select #4/R:198

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:198

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:199

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #4/R:179-199

171 atoms, 180 bonds, 21 residues, 1 model selected  

> color sel byhetero

> select #4/R:150-151

17 atoms, 16 bonds, 2 residues, 1 model selected  

> select #4/R:150-151

17 atoms, 16 bonds, 2 residues, 1 model selected  

> view sel

> view

> ui tool show "Show Sequence Viewer"

> sequence chain #1/R

Alignment identifier is 1/R  

> select #1/R:175-176

14 atoms, 14 bonds, 2 residues, 1 model selected  

> select #1/R:175-192

140 atoms, 143 bonds, 18 residues, 1 model selected  

> select #1/R:193

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/R:175-193

147 atoms, 151 bonds, 19 residues, 1 model selected  

> color sel light sea green

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> select #1/R:175-193

147 atoms, 151 bonds, 19 residues, 1 model selected  

> color sel byhetero

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> select #1/R:150

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/R:150

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> select #1/R:174

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/R:174

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> select #1/R:194

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel light sea green

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> ui tool show "Show Sequence Viewer"

> sequence chain #2/A

Alignment identifier is 2/A  

> select #2/A:198

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:198-218

168 atoms, 170 bonds, 21 residues, 1 model selected  

> color sel light sea green

> color sel byhetero

> select
> #2/A:55-87,92-121,128-162,165-170,172-197,209-213,219-249,254-291,296-327,332-339

1950 atoms, 1992 bonds, 244 residues, 1 model selected  

> select #2/A:252

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/A:252

11 atoms, 10 bonds, 1 residue, 1 model selected  

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> ui tool show "Show Sequence Viewer"

> sequence chain #3/A

Alignment identifier is 3/A  

> select #3/A:166-167

21 atoms, 22 bonds, 2 residues, 1 model selected  

> select #3/A:166-187

191 atoms, 203 bonds, 22 residues, 1 model selected  

> color sel light sea green

> color sel byhetero

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:108

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/A:108

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/A:166-167

21 atoms, 22 bonds, 2 residues, 1 model selected  

> select #3/A:166-186

184 atoms, 196 bonds, 21 residues, 1 model selected  

> select #3/A:187

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/A:166-187

191 atoms, 203 bonds, 22 residues, 1 model selected  

> color sel cyan

> color sel byhetero

> select #3/A:249

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #3/A:249

11 atoms, 10 bonds, 1 residue, 1 model selected  

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> ui tool show "Show Sequence Viewer"

> sequence chain #2/A

Alignment identifier is 2/A  

> select #2/A:198

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:198-215

148 atoms, 150 bonds, 18 residues, 1 model selected  

> select #2/A:218

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:198-218

168 atoms, 170 bonds, 21 residues, 1 model selected  

> color sel cyan

> color sel byhetero

> select #2/A:252

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/A:252

11 atoms, 10 bonds, 1 residue, 1 model selected  

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> ui tool show "Show Sequence Viewer"

> sequence chain #1/R

Alignment identifier is 1/R  

> select #1/R:175

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/R:175-194

155 atoms, 159 bonds, 20 residues, 1 model selected  

> select #1/R:175-176

14 atoms, 14 bonds, 2 residues, 1 model selected  

> select #1/R:175-193

147 atoms, 151 bonds, 19 residues, 1 model selected  

> select #1/R:175

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/R:175-194

155 atoms, 159 bonds, 20 residues, 1 model selected  

> color sel cyan

> color sel byhetero

> select
> #1/R:45-72,77-103,112-144,153-174,194-206,209-237,247-274,280-302,305-311

1625 atoms, 1653 bonds, 210 residues, 1 model selected  

> select #1/R:207

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/R:207

8 atoms, 7 bonds, 1 residue, 1 model selected  

> view

> ui tool show "Show Sequence Viewer"

> sequence chain #4/R

Alignment identifier is 4/R  

> select #4/R:179

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #4/R:179-199

171 atoms, 180 bonds, 21 residues, 1 model selected  

> color sel cyan

> color sel byhetero

> select #4/R:245-246

13 atoms, 13 bonds, 2 residues, 1 model selected  

> select #4/R:245-246

13 atoms, 13 bonds, 2 residues, 1 model selected  

> save
> C:/Users/Midget/OneDrive/MIPS/papers/GPR_mini_review/Figures/20231026_Figure_2.cxs

——— End of log from Thu Oct 26 20:27:55 2023 ———

opened ChimeraX session  

> ui tool show "Show Sequence Viewer"

> sequence chain #3/A

Alignment identifier is 3/A  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> color sel cornflower blue

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> color sel #5582ffff

> color sel byhetero

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select clear

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> style sel stick

Changed 12 atom styles  

> show sel atoms

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:272

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:272

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:275

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #3/A:275

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> select #3/A:276

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/A:276

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #3/A:110

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/A:110

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #3/A:113

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #3/A:113

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> select #3/A:65

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/A:65-277

1635 atoms, 1691 bonds, 1 pseudobond, 198 residues, 2 models selected  

> select #3/A:224

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #3/A:188-224

310 atoms, 319 bonds, 37 residues, 1 model selected  

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> ui tool show "Color Actions"

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> color sel #aaaa7fff target a

> style sel stick

Changed 12 atom styles  

> color sel byhetero

> select clear

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> color sel byhetero

> color sel #acac80ff

> color sel #b8b889ff

> color sel #b9b98aff

> color sel #bdbd8dff

> color sel #bfbf8eff

> color sel #c2c291ff

> color sel #c3c391ff

> undo

[Repeated 2 time(s)]

> color sel #5582ffff

> ui tool show "Color Actions"

> color sel #aaaa7fff target a

> color sel #acac80ff target a

> color sel #adad81ff target a

> color sel #c7c794ff target a

> color sel #caca97ff target a

> color sel #cbcb97ff target a

> color sel #cfcf9aff target a

> color sel #d0d09bff target a

> color sel #d1d19cff target a

> color sel #d5d59fff target a

> color sel #d8d8a1ff target a

> color sel #d9d9a2ff target a

> color sel #dadaa2ff target a

> color sel #dcdca4ff target a

> color sel #dddda5ff target a

> color sel #d6d69fff target a

> color sel #c8c895ff target a

> color sel #c7c794ff target a

> color sel #c6c694ff target a

> color sel #c3c391ff target a

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:268

12 atoms, 12 bonds, 1 residue, 1 model selected  

> color sel byhetero target a

[Repeated 1 time(s)]

> color sel byhetero

> select ~sel

8851 atoms, 9104 bonds, 3 pseudobonds, 1104 residues, 7 models selected  

> select clear

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:271

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #3/A:105

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:105

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:110

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/A:110

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:117

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:117

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select #4/R:122

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:122

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #4/R:125

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:125

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> select #4/R:304

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #4/R:304

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 14 atom styles  

> select #4/R:303

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #4/R:303

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #4/R:307

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:307

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:121

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:121

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> select #4/R:122

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:122

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:120

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:120

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:110

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:110

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> select #4/R:191

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:191

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> hide sel atoms

> select #4/R:110

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:110

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #4/R:199-200

13 atoms, 12 bonds, 2 residues, 1 model selected  

> select #4/R:199

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #4/R:288

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:288

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> select #4/R:111

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:111

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #4/R:192

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #4/R:192

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 14 atom styles  

> select #4/R:177

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:177

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:176

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:176

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #4/R:177

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:177

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> hide sel atoms

> select #4/R:173

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:173

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select #4/R:183

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:183

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #4/R:190

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:190

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select #4/R:300

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:300

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select #3/A:287

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:287

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select #3/A:291

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:291

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 14 atom styles  

> select #3/A:290

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/A:290

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #3/A:187

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/A:187

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #4/R:289

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #4/R:289

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #3/A:109

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/A:109

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #3/A:180

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:180

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 14 atom styles  

> select #3/A:99

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/A:99

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> select #3/A:178

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:178

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:105

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:105

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:179

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #4/R:179

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #4/R:175

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:175

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:179-180

18 atoms, 19 bonds, 2 residues, 1 model selected  

> select #4/R:179-181

22 atoms, 23 bonds, 3 residues, 1 model selected  

> select #4/R:190

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:190

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #4/R:309

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:273-309

315 atoms, 326 bonds, 37 residues, 1 model selected  

> select
> #4/R:37-68,74-104,108-145,154-178,191-196,200-244,266-290,295-321,323-337

1983 atoms, 2034 bonds, 244 residues, 1 model selected  

> select #4/R:191

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:191

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:187

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #4/R:187

4 atoms, 3 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 4 atom styles  

> show sel atoms

[Repeated 1 time(s)]

> style sel stick

Changed 4 atom styles  

> color sel byhetero

> select #4/R:188

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:188-189

16 atoms, 15 bonds, 2 residues, 1 model selected  

> select #4/R:155-191

309 atoms, 322 bonds, 37 residues, 1 model selected  

> select #4/R:43-191

1185 atoms, 1221 bonds, 149 residues, 1 model selected  

> select #4/R:43

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/R:43

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> hide sel atoms

> select #4/R:175

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #4/R:175

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #3/A:171

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #3/A:171-172

11 atoms, 11 bonds, 2 residues, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select #3/A:165

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:165

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:161

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:161

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> select #3/A:164

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/A:164

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> save
> C:/Users/fbumb/OneDrive/MIPS/papers/GPR_mini_review/Figures/20240206_Figure_2.cxs

——— End of log from Tue Feb 6 18:08:29 2024 ———

opened ChimeraX session  

> open 8KH4

Summary of feedback from opening 8KH4 fetched from pdb  
---  
note | Fetching compressed mmCIF 8kh4 from http://files.rcsb.org/download/8kh4.cif  
  
8kh4 title:  
Cryo-EM structure of the GPR161-Gs complex [more info...]  
  
Chain information for 8kh4 #5  
---  
Chain | Description | UniProt  
A | G-protein coupled receptor 161 | GP161_HUMAN 2-348  
B | Guanine nucleotide-binding protein G(olf) subunit alpha,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | GNAL_HUMAN 5-195, GNAS2_HUMAN 204-394  
C | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 2-340  
D | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
E | Nanobody 35 |   
  
Non-standard residues in 8kh4 #5  
---  
CLR — cholesterol  
  

> select #5/A

2076 atoms, 2142 bonds, 1 pseudobond, 267 residues, 2 models selected  

> cartoon (#!5 & sel)

> surface hidePatches (#!5 & sel)

> select add #5

7511 atoms, 7684 bonds, 2 pseudobonds, 1002 residues, 2 models selected  

> select subtract #5

Nothing selected  

> select add #5

7511 atoms, 7684 bonds, 2 pseudobonds, 1002 residues, 2 models selected  

> cartoon (#!5 & sel)

> hide (#!5 & sel) target a

> surface hidePatches (#!5 & sel)

> select #5/E

936 atoms, 958 bonds, 127 residues, 1 model selected  

> cartoon hide sel

> select #5/D

265 atoms, 267 bonds, 44 residues, 1 model selected  

> select #5/C

2425 atoms, 2471 bonds, 336 residues, 1 model selected  

> cartoon hide sel

> select #5/D

265 atoms, 267 bonds, 44 residues, 1 model selected  

> cartoon hide sel

> select #5/B

1809 atoms, 1846 bonds, 1 pseudobond, 228 residues, 2 models selected  

> cartoon hide (#!5 & sel)

> tile columns 2

5 models tiled  

> tile columns 1

5 models tiled  

> tile rows 1

Expected a models specifier or a keyword  

> tile rows 0

Expected a models specifier or a keyword  

> tile columns 0

Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/cmd_line/tool.py", line 319, in execute  
cmd.run(cmd_text)  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 2908, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/std_commands/tile.py", line 32, in tile  
row, col = divmod(i, columns)  
^^^^^^^^^^^^^^^^^^  
ZeroDivisionError: integer division or modulo by zero  
  
ZeroDivisionError: integer division or modulo by zero  
  
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/std_commands/tile.py", line 32, in tile  
row, col = divmod(i, columns)  
^^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  

> tile columns 1

5 models tiled  

> tile columns 2

5 models tiled  

> tile columns 3

5 models tiled  

> tile columns 5

5 models tiled  

> ui tool show Matchmaker

> matchmaker #!2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR17_7y89.pdb, chain A (#2),
sequence alignment score = 311.8  
RMSD between 118 pruned atom pairs is 1.154 angstroms; (across all 256 pairs:
5.669)  
  

> matchmaker #!3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR21_8hmv.pdb, chain A (#3),
sequence alignment score = 398.2  
RMSD between 136 pruned atom pairs is 1.140 angstroms; (across all 255 pairs:
4.042)  
  

> matchmaker #!4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 369.8  
RMSD between 122 pruned atom pairs is 1.221 angstroms; (across all 258 pairs:
5.085)  
  

> matchmaker #!5 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with 8kh4, chain A (#5), sequence
alignment score = 317.9  
RMSD between 99 pruned atom pairs is 1.217 angstroms; (across all 248 pairs:
4.726)  
  

> matchmaker #!5 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR12_Gs.pdb, chain R (#1) with 8kh4, chain A (#5), sequence
alignment score = 317.9  
RMSD between 99 pruned atom pairs is 1.217 angstroms; (across all 248 pairs:
4.726)  
  

> tile columns 5

5 models tiled  

> color #5 #9437ffff

> color #5 #941751ff

> color #5 #945200ff

> color #5 #ff9300ff

> color #5 #e03d2cff

> ui tool show "Show Sequence Viewer"

> sequence chain #5/A

Alignment identifier is 5/A  

> select #5/A:121

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #5/A:121-129

76 atoms, 77 bonds, 9 residues, 1 model selected  

> select #5/A:129

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/A:121-129

76 atoms, 77 bonds, 9 residues, 1 model selected  

> ui mousemode right select

> select clear

> select #5/A:156

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #5/A:154-156

24 atoms, 24 bonds, 3 residues, 1 model selected  

> select #5/A:27-91,96-131,134-165,185-219,267-297,302-338

1805 atoms, 1852 bonds, 236 residues, 1 model selected  

> select #5/A:169-172,177-180

61 atoms, 60 bonds, 8 residues, 1 model selected  

> select #5/A:166

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #5/A:166-184

157 atoms, 163 bonds, 19 residues, 1 model selected  

> color sel cyan

Drag select of 13 residues  

> select clear

[Repeated 1 time(s)]

> ui mousemode right rotate

> ui mousemode right "translate selected models"

> ui mousemode right zoom

> ui mousemode right translate

> ui mousemode right rotate

> tile spacingFactor 0.5 columns 5

5 models tiled  

> tile spacingFactor 0.4 columns 5

5 models tiled  

> tile spacingFactor 0.7 columns 5

5 models tiled  

> ui mousemode right translate

> ui tool show "Show Sequence Viewer"

> sequence chain #5/A

Alignment identifier is 5/A  

> select #5/A:169-172,177-180

61 atoms, 60 bonds, 8 residues, 1 model selected  

> select #5/A:27-91,96-131,134-165,185-219,267-297,302-338

1805 atoms, 1852 bonds, 236 residues, 1 model selected  

> select #5/A:169-172,177-180

61 atoms, 60 bonds, 8 residues, 1 model selected  

> select sequence 178

Nothing selected  

> select sequence C178

Nothing selected  

> select sequence C178

Nothing selected  

> select sequence C

442 atoms, 375 bonds, 74 residues, 5 models selected  

> help help:user/findseq.html

> ui mousemode right select

> select clear

> select #5/A:169-172,177-180

61 atoms, 60 bonds, 8 residues, 1 model selected  

> select #5/A:174-175

20 atoms, 20 bonds, 2 residues, 1 model selected  

> select #5/A:174-178

48 atoms, 50 bonds, 5 residues, 1 model selected  

> select #5/A:181-182

19 atoms, 20 bonds, 2 residues, 1 model selected  

> select #5/A:174-182

79 atoms, 83 bonds, 9 residues, 1 model selected  

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel target ab

> hide sel target a

> show (sel-residues & sidechain) target ab

> style sel stick

Changed 6 atom styles  

> color sel byelement

> select clear

[Repeated 1 time(s)]

> save "/Users/dongju/Desktop/Research projects-Monash/NRE/Fig2 with 161.aln"

> color #5 #ff2600ff

Drag select of 19 residues  

> select clear

[Repeated 1 time(s)]

> ui mousemode right zoom

> ui mousemode right rotate

> ui mousemode right zoom

> ui mousemode right rotate

> ui mousemode right translate

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(NoModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ShiftModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ControlModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ShiftModifier|ControlModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(AltModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ShiftModifier|AltModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ControlModifier|AltModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ShiftModifier|ControlModifier|AltModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(MetaModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ShiftModifier|MetaModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ControlModifier|MetaModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ShiftModifier|ControlModifier|MetaModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(AltModifier|MetaModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ShiftModifier|AltModifier|MetaModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ControlModifier|AltModifier|MetaModifier)  

Mismatch between Cocoa '\x0' and Carbon '\xd' for virtual key 36 with
QFlags(ShiftModifier|ControlModifier|AltModifier|MetaModifier)  

> tile spacingFactor 0.8 columns 5

5 models tiled  

> ui mousemode right zoom

> ui mousemode right translate

> ui mousemode right "translate selected models"

> ui mousemode right rotate

> ui mousemode right translate

[Repeated 1 time(s)]

> ui mousemode right zoom

> ui mousemode right translate

> select #5/A:169-172,177-180

61 atoms, 60 bonds, 8 residues, 1 model selected  

> select #5/A:180

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #5/A:172-180

73 atoms, 75 bonds, 9 residues, 1 model selected  

> select #5/A:166-167

11 atoms, 10 bonds, 2 residues, 1 model selected  

> select #5/A:166-184

157 atoms, 163 bonds, 19 residues, 1 model selected  

> color sel cyan

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> style sel stick

Changed 6 atom styles  

> show sel target ab

> color sel byelement

> ui mousemode right select

> select clear

> select #5/A:182-183

24 atoms, 26 bonds, 2 residues, 1 model selected  

> select #5/A:183

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select #5/A:182-183

24 atoms, 26 bonds, 2 residues, 1 model selected  

> select #5/A:182-183

24 atoms, 26 bonds, 2 residues, 1 model selected  

> select #5/A:182

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel target ab

> style sel stick

Changed 14 atom styles  

> color sel byelement

> select clear

[Repeated 1 time(s)]Drag select of 3 residues  

> select clear

[Repeated 1 time(s)]

> select #5/A:182

14 atoms, 15 bonds, 1 residue, 1 model selected  

> color sel light sea green

> color sel cyan

> color sel byhetero

> select clear

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #5/A:182

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #5/A:182

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> color sel byhetero

> select clear

Drag select of 10 residues  

> select clear

[Repeated 1 time(s)]

> ui mousemode right translate

> ui mousemode right "translate selected models"

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> color sel cyan

> color sel byhetero

> ui mousemode right select

> select clear

> select #5/A:189

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/A:189

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel target ab

> style sel stick

Changed 7 atom styles  

> select clear

> select #5/A:189@CB

1 atom, 1 residue, 1 model selected  

> select clear

> ui mousemode right "translate selected models"

> ui mousemode right translate

> color #5 #de723dff

> color #5 #e07139ff

> color #5 #e56c2fff

> color #5 #ea692dff

> select #5/A:166-167

11 atoms, 10 bonds, 2 residues, 1 model selected  

> select #5/A:166-184

157 atoms, 163 bonds, 19 residues, 1 model selected  

> color sel cyan

> select #5/A:178

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel target ab

> style sel stick

Changed 6 atom styles  

> color sel byhetero

> select #5/A:189

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/A:189

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel target ab

> style sel stick

Changed 7 atom styles  

> color sel forest green

> color sel lime

> color sel medium blue

> color sel byhetero

> select #5/A:182-183

24 atoms, 26 bonds, 2 residues, 1 model selected  

> select #5/A:182-183

24 atoms, 26 bonds, 2 residues, 1 model selected  

> select #5/A:182

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #5/A:182

14 atoms, 15 bonds, 1 residue, 1 model selected  

> color sel byhetero

> save "/Users/dongju/Desktop/Research projects-Monash/NRE/Figure2_DL/Aligned
> overall_17_21_52_161.cxs"

> ui mousemode right select

> select clear

> select #5/A:179

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/A:179

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/A:177

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #5/A:177

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #5/A:179

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/A:179

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/A:177

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #5/A:177

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #5/A:177,179

15 atoms, 13 bonds, 2 residues, 1 model selected  

> show sel target ab

> style sel stick

Changed 15 atom styles  

> color sel byhetero

> select clear

> select #5/A:179

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/A:179

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select clear

[Repeated 4 time(s)]

> ui mousemode right translate

> ui mousemode right zoom

> ui mousemode right translate

> ui mousemode right rotate

[Repeated 1 time(s)]

> ui mousemode right select

> select clear

Drag select of 24 residues  

> select clear

> ui tool show "Side View"

> volume region all imageMode "full region"

No volumes specified  

> view orient

> view

> ui mousemode right translate

> ui mousemode right rotate

> ui mousemode right "translate selected models"

> ui mousemode right translate

> ui mousemode right rotate

> ui mousemode right translate

> ui mousemode right "move planes"

> ui mousemode right "rotate slab"

> ui mousemode right "move planes"

> ui mousemode right rotate

> ui mousemode right "move planes"

> view orient

[Repeated 2 time(s)]

> tile spacingFactor 0.8 columns 5

5 models tiled  

> ui mousemode right translate

> save "/Users/dongju/Desktop/Research projects-Monash/NRE/Figure2_DL/Aligned
> overall_17_21_52_161.cxs"

——— End of log from Wed Feb 14 23:29:37 2024 ———

opened ChimeraX session  

> close #1

> close #2

> close #5

> save "/Users/dongju/Desktop/Research projects-
> Monash/NRE/Figure2_DL/Fig2B_GPR21 and 52.cxs"

> ui tool show "Show Sequence Viewer"

> sequence chain #3/A

Alignment identifier is 3/A  

> sequence chain #4/R

Alignment identifier is 4/R  

> transparency #3 90 ribbons

> lighting soft

> graphics silhouettes false

> lighting simple

> transparency #3 0 ribbons

> ui mousemode right select

> select #3/A:180

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:181-182

11 atoms, 10 bonds, 2 residues, 1 model selected  

> select #3/A:181-186

50 atoms, 52 bonds, 6 residues, 1 model selected  

> select #3/A:180

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:180-270

654 atoms, 676 bonds, 1 pseudobond, 76 residues, 2 models selected  

> select clear

> select
> #3/A:30-55,63-90,97-133,136-165,173-177,188-233,250-278,282-306,308-317

1922 atoms, 1966 bonds, 236 residues, 1 model selected  

> select clear

> select #3/A:180

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:180-278

721 atoms, 745 bonds, 1 pseudobond, 84 residues, 2 models selected  

> select clear

[Repeated 1 time(s)]

> select #3/A:164@CB

1 atom, 1 residue, 1 model selected  

> select #3/A:166

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select clear

> select #3/A:166

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #3/A:164@CB

12 atoms, 11 bonds, 2 residues, 1 model selected  

> select add #3/A:167

22 atoms, 21 bonds, 3 residues, 1 model selected  

> select add #3/A:168

36 atoms, 36 bonds, 4 residues, 1 model selected  

> select add #3/A:169

40 atoms, 39 bonds, 5 residues, 1 model selected  

> select add #3/A:170

49 atoms, 47 bonds, 6 residues, 1 model selected  

> select add #3/A:171

56 atoms, 54 bonds, 7 residues, 1 model selected  

> select add #3/A:172

60 atoms, 57 bonds, 8 residues, 1 model selected  

> select add #3/A:173

72 atoms, 69 bonds, 9 residues, 1 model selected  

> select add #3/A:174

82 atoms, 79 bonds, 10 residues, 1 model selected  

> select add #3/A:175

86 atoms, 82 bonds, 11 residues, 1 model selected  

> select add #3/A:176

94 atoms, 89 bonds, 12 residues, 1 model selected  

> select add #3/A:177

101 atoms, 95 bonds, 13 residues, 1 model selected  

> select add #3/A:178

112 atoms, 106 bonds, 14 residues, 1 model selected  

> select add #3/A:179

121 atoms, 114 bonds, 15 residues, 1 model selected  

> select add #3/A:180

135 atoms, 129 bonds, 16 residues, 1 model selected  

> select add #3/A:181

141 atoms, 134 bonds, 17 residues, 1 model selected  

> select add #3/A:183

150 atoms, 142 bonds, 18 residues, 1 model selected  

> select add #3/A:184

156 atoms, 147 bonds, 19 residues, 1 model selected  

> select add #3/A:185

170 atoms, 162 bonds, 20 residues, 1 model selected  

> select add #3/A:186

180 atoms, 172 bonds, 21 residues, 1 model selected  

> select add #3/A:187

187 atoms, 178 bonds, 22 residues, 1 model selected  

> select add #3/A:99@CB

188 atoms, 178 bonds, 23 residues, 1 model selected  

> select add #3/A:102

194 atoms, 184 bonds, 24 residues, 1 model selected  

> select add #3/A:105@CB

195 atoms, 184 bonds, 25 residues, 1 model selected  

> select add #3/A:105@CZ

196 atoms, 185 bonds, 25 residues, 1 model selected  

> select add #3/A:161

207 atoms, 196 bonds, 26 residues, 1 model selected  

> select add #3/A:275

216 atoms, 204 bonds, 27 residues, 1 model selected  

> select add #3/A:287

227 atoms, 215 bonds, 28 residues, 1 model selected  

> select add #3/A:290

234 atoms, 221 bonds, 29 residues, 1 model selected  

> select add #3/A:268

246 atoms, 233 bonds, 30 residues, 1 model selected  

> select add #3/A:271

258 atoms, 245 bonds, 31 residues, 1 model selected  

> select add #3/A:291

272 atoms, 260 bonds, 32 residues, 1 model selected  

> select add #3/A:109

279 atoms, 266 bonds, 33 residues, 1 model selected  

> select add #3/A:113

288 atoms, 274 bonds, 34 residues, 1 model selected  
Drag select of 19 atoms, 21 residues, 16 bonds  
Drag select of 2 residues  

> select #3/A:173

12 atoms, 12 bonds, 1 residue, 1 model selected  
Drag select of 9 atoms, 10 residues, 8 bonds  

> select #3/A:166

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:167

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #3/A:166

21 atoms, 21 bonds, 2 residues, 1 model selected  

> select add #3/A:168

35 atoms, 36 bonds, 3 residues, 1 model selected  

> select add #3/A:169

39 atoms, 39 bonds, 4 residues, 1 model selected  

> select #3/A:170

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #3/A:170-173

32 atoms, 33 bonds, 4 residues, 1 model selected  

> select #3/A:166

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #3/A:166-179

120 atoms, 127 bonds, 14 residues, 1 model selected  

> select #3/A:180

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/A:180-187

71 atoms, 75 bonds, 8 residues, 1 model selected  

> select #3/A:180-201

190 atoms, 198 bonds, 22 residues, 1 model selected  

> select #3/A:180-201

190 atoms, 198 bonds, 22 residues, 1 model selected  

> select #3/A:180-201

190 atoms, 198 bonds, 22 residues, 1 model selected  

> select #3/A:201

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #3/A:188-201

119 atoms, 122 bonds, 14 residues, 1 model selected  

> select #3/A:165-166

22 atoms, 23 bonds, 2 residues, 1 model selected  

> select #3/A:166-187

191 atoms, 203 bonds, 22 residues, 1 model selected  

> name frozen ECL2 sel

> select clear

> select ECL2

191 atoms, 203 bonds, 22 residues, 1 model selected  

> name frozen GPR21_ECL2 sel

> select clear

Drag select of 2 atoms, 5 residues, 1 bonds  

> select clear

[Repeated 1 time(s)]

> select #3/A:164

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/A:161

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #3/A:164

17 atoms, 16 bonds, 2 residues, 1 model selected  

> select add #3/A:268

29 atoms, 28 bonds, 3 residues, 1 model selected  

> select add #3/A:272

40 atoms, 39 bonds, 4 residues, 1 model selected  

> select add #3/A:271

52 atoms, 51 bonds, 5 residues, 1 model selected  

> select add #3/A:275

61 atoms, 59 bonds, 6 residues, 1 model selected  

> select add #3/A:276

67 atoms, 64 bonds, 7 residues, 1 model selected  

> select add #3/A:110

73 atoms, 69 bonds, 8 residues, 1 model selected  
Drag select of 1 atoms, 3 residues, 1 bonds  
Drag select of 3 residues  

> select clear

[Repeated 3 time(s)]

> select #3/A:164

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #3/A:276

12 atoms, 10 bonds, 2 residues, 1 model selected  

> select add #3/A:275

21 atoms, 18 bonds, 3 residues, 1 model selected  

> select add #3/A:272

32 atoms, 29 bonds, 4 residues, 1 model selected  

> select add #3/A:271

44 atoms, 41 bonds, 5 residues, 1 model selected  

> select add #3/A:105

55 atoms, 52 bonds, 6 residues, 1 model selected  

> select add #3/A:99

61 atoms, 57 bonds, 7 residues, 1 model selected  

> select add #3/A:290

68 atoms, 63 bonds, 8 residues, 1 model selected  

> select add #3/A:110

74 atoms, 68 bonds, 9 residues, 1 model selected  

> select add #3/A:287

85 atoms, 79 bonds, 10 residues, 1 model selected  

> select add #3/A:161@CA

86 atoms, 79 bonds, 11 residues, 1 model selected  

> select subtract #3/A:161

85 atoms, 79 bonds, 10 residues, 1 model selected  

> select add #3/A:161

96 atoms, 90 bonds, 11 residues, 1 model selected  

> select add #3/A:109

103 atoms, 96 bonds, 12 residues, 1 model selected  

> select add #3/A:291

117 atoms, 111 bonds, 13 residues, 1 model selected  

> select add #3/A:268

129 atoms, 123 bonds, 14 residues, 1 model selected  

> select add #3/A:113

138 atoms, 131 bonds, 15 residues, 1 model selected  

> select add #3/A:102

144 atoms, 136 bonds, 16 residues, 1 model selected  

> name frozen "GPR21_binding sites" sel

Not registering illegal selector name "GPR21_binding sites"  

> name frozen "GPR21_binding sites" sel

Not registering illegal selector name "GPR21_binding sites"  

> name frozen GPR21_BS sel

[Repeated 1 time(s)]

> select GPR21_ECL2

191 atoms, 203 bonds, 22 residues, 1 model selected  

> transparency #3 90 ribbons

> select ECL2

191 atoms, 203 bonds, 22 residues, 1 model selected  

> transparency #3:select 0 ribbons

> transparency #3:select/ 0 ribbons

Missing or invalid "percent" argument: Expected a number  

> transparency #3:select 0 ribbons

[Repeated 1 time(s)]

> select GPR21_BS

144 atoms, 140 bonds, 16 residues, 1 model selected  

> transparency #3:select 0 ribbons

> transparency #3:select/R 0 ribbons

> transparency #3:select/ 0 ribbons

Missing or invalid "percent" argument: Expected a number  

> transparency #3:select 0 ribbons

> transparency #3:select 70 ribbons

> transparency #3:select 0 ribbons

> transparency #3 0 ribbons

> transparency #3/select 90 ribbons

> transparency #3:select 90 ribbons

[Repeated 1 time(s)]

> select #3/A:37

11 atoms, 11 bonds, 1 residue, 1 model selected  

> transparency #3:select 90 ribbons

> select GPR21_BS

144 atoms, 140 bonds, 16 residues, 1 model selected  

> transparency select 90 ribbons

Missing or invalid "percent" argument: Expected a number  

> transparency #3:GPR21_BS GPR21_ECL2 90 ribbons

Missing or invalid "percent" argument: Expected a number  

> transparency #3:GPR21_BS/GPR21_ECL2 90 ribbons

> transparency #3:select/GPR21_BS/GPR21_ECL2 90 ribbons

> transparency select/ 90 ribbons

Missing or invalid "percent" argument: Expected a number  

> transparency select/ 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #select/ 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #3:select 90 ribbons

> transparency #3:select/ 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #3:select> 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #3:select transparency #3: transparency #3:>select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency  90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency  transparency select> 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency ~select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #3:~select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #3:~select/ 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #3~select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency ~select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency ~select/ 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency ~select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #3~select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency ~select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency [~select] 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #3:~select 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency #3:~select/ 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency ~sele 90 ribbon

Missing or invalid "percent" argument: Expected a number  

> transparency ~select 90 all

Missing or invalid "percent" argument: Expected a number  

> transparency #3:~select 90 all

Missing or invalid "percent" argument: Expected a number  

> transparency ~$select 90 ribbons

Missing or invalid "percent" argument: Expected a number  

> transparency $select 90 ribbons

Missing or invalid "percent" argument: Expected a number  

> transparency ~select$ 90 ribbons

Missing or invalid "percent" argument: Expected a number  

> select clear

> select #3/A:216

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #3/A:220

20 atoms, 18 bonds, 2 residues, 1 model selected  

> color sel red

> select clear

> select GPR21_ECL2

191 atoms, 203 bonds, 22 residues, 1 model selected  

> transparency sel 90 All

> transparency sel 0 All

> select #3/A:216

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #3/A:220

20 atoms, 18 bonds, 2 residues, 1 model selected  

> color sel cornflower blue

> select clear

> select #3/A:216

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #3/A:220

20 atoms, 18 bonds, 2 residues, 1 model selected  

> color sel #5780ffff

> select clear

> transparency #3 90 ribbons

> select GPR21_BS

144 atoms, 140 bonds, 16 residues, 1 model selected  

> transparency sel 0 ribbons

> select GPR21_ECL2

191 atoms, 203 bonds, 22 residues, 1 model selected  

> transparency sel 0 ribbons

> select clear

[Repeated 2 time(s)]Drag select of 4 atoms, 8 residues, 3 bonds  

> select #4/R:179

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #4/R:179-180

18 atoms, 19 bonds, 2 residues, 1 model selected  

> select #4/R:179-209

248 atoms, 260 bonds, 31 residues, 1 model selected  

> select #4/R:179-209

248 atoms, 260 bonds, 31 residues, 1 model selected  

> select #4/R:179-209

248 atoms, 260 bonds, 31 residues, 1 model selected  

> name frozen GPR52_ECL2 sel

> select clear

> select #4/R:117

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #4/R:176

17 atoms, 16 bonds, 2 residues, 1 model selected  

> select add #4/R:173

28 atoms, 27 bonds, 3 residues, 1 model selected  

> select add #4/R:122

34 atoms, 32 bonds, 4 residues, 1 model selected  

> select add #4/R:125

43 atoms, 40 bonds, 5 residues, 1 model selected  

> select add #4/R:121

51 atoms, 47 bonds, 6 residues, 1 model selected  

> select add #4/R:284

63 atoms, 59 bonds, 7 residues, 1 model selected  

> select add #4/R:281

75 atoms, 71 bonds, 8 residues, 1 model selected  

> select add #4/R:305

83 atoms, 79 bonds, 9 residues, 1 model selected  

> select subtract #4/R:305

75 atoms, 72 bonds, 8 residues, 1 model selected  

> select add #4/R:304

89 atoms, 87 bonds, 9 residues, 1 model selected  

> select add #4/R:300

100 atoms, 98 bonds, 10 residues, 1 model selected  

> select add #4/R:288

109 atoms, 106 bonds, 11 residues, 1 model selected  

> select add #4/R:307

117 atoms, 113 bonds, 12 residues, 1 model selected  

> select add #4/R:285

128 atoms, 123 bonds, 13 residues, 1 model selected  
Drag select of 7 atoms, 5 residues, 6 bonds  

> select add #4/R:111@CA

44 atoms, 6 bonds, 7 residues, 1 model selected  

> select add #4/R:176

50 atoms, 11 bonds, 8 residues, 1 model selected  

> select add #4/R:173

61 atoms, 22 bonds, 9 residues, 1 model selected  

> select add #4/R:125

70 atoms, 30 bonds, 10 residues, 1 model selected  

> select add #4/R:122

76 atoms, 35 bonds, 11 residues, 1 model selected  

> select add #4/R:282

84 atoms, 42 bonds, 12 residues, 1 model selected  

> select subtract #4/R:282

76 atoms, 35 bonds, 11 residues, 1 model selected  

> select add #4/R:281

88 atoms, 47 bonds, 12 residues, 1 model selected  

> select add #4/R:285

99 atoms, 58 bonds, 13 residues, 1 model selected  

> select add #4/R:307@CA

100 atoms, 58 bonds, 14 residues, 1 model selected  

> select subtract #4/R:307@CA

99 atoms, 58 bonds, 13 residues, 1 model selected  

> select add #4/R:307

107 atoms, 65 bonds, 14 residues, 1 model selected  

> select add #4/R:121

115 atoms, 72 bonds, 15 residues, 1 model selected  

> select add #4/R:304

129 atoms, 87 bonds, 16 residues, 1 model selected  

> select add #4/R:300

140 atoms, 98 bonds, 17 residues, 1 model selected  

> select add #4/R:289

146 atoms, 103 bonds, 18 residues, 1 model selected  

> select add #4/R:303

153 atoms, 109 bonds, 19 residues, 1 model selected  

> select add #4/R:284

165 atoms, 121 bonds, 20 residues, 1 model selected  

> name frozen GPR52_BS sel

> transparency #4 90 ribbons

> select GPR52_BS

165 atoms, 161 bonds, 20 residues, 1 model selected  

> transparency sel 0 ribbons

> select GPR52_ECL2

248 atoms, 263 bonds, 31 residues, 1 model selected  

> transparency sel 0 ribbons

> select clear

Drag select of 5 atoms, 26 residues, 4 bonds  

> tile Spaingfactor 2 columns 2

Expected a models specifier or a keyword  

> tile Spaingfactor 80 columns 2

Expected a models specifier or a keyword  

> tile Spaingfactor 0.8 columns 2

Expected a models specifier or a keyword  

> tile spacingFactor 2 columns 2

2 models tiled  

> tile spacingFactor 9 columns 2

2 models tiled  

> tile spacingFactor 0.5 columns 2

2 models tiled  

> tile spacingFactor 0.8 columns 2

2 models tiled  

> select clear

[Repeated 1 time(s)]

> tile spacingFactor 0.7 columns 2

2 models tiled  

> ui tool show Matchmaker

> matchmaker #!4 to #3

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR21_8hmv.pdb, chain A (#3) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 1120.2  
RMSD between 224 pruned atom pairs is 1.049 angstroms; (across all 273 pairs:
2.619)  
  

> matchmaker #!4 to #3

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR21_8hmv.pdb, chain A (#3) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 1120.2  
RMSD between 224 pruned atom pairs is 1.049 angstroms; (across all 273 pairs:
2.619)  
  
Drag select of 7 atoms, 15 residues, 7 bonds  

> select clear

> tile spacingFactor 0.7 columns 2

2 models tiled  

> tile spacingFactor 0.6 columns 2

2 models tiled  

> ui mousemode right zoom

> lighting soft

> lighting simple

> graphics silhouettes true

> graphics silhouettes false

> lighting flat

[Repeated 1 time(s)]

> lighting shadows true intensity 0.5

> lighting flat

[Repeated 1 time(s)]

> lighting shadows true intensity 0.5

> lighting soft

> lighting full

> graphics silhouettes false

> lighting soft

> lighting simple

> lighting full

> lighting soft

> lighting simple

[Repeated 1 time(s)]

> lighting soft

> preset "overall look" interactive

Using preset: Overall Look / Interactive  
Preset expands to these ChimeraX commands:

    
    
    ~set bg
    graphics silhouettes f
    lighting depthCue t

  

> preset "overall look" "publication 1 (silhouettes)"

Using preset: Overall Look / Publication 1 (Silhouettes)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes t
    lighting depthCue f

  

> preset "overall look" "publication 2 (depth-cued)"

Using preset: Overall Look / Publication 2 (Depth-Cued)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes f
    lighting depthCue t

  

> select GPR21_BS

144 atoms, 140 bonds, 16 residues, 1 model selected  

> transparency sel 90 ribbons

> select GPR52_BS

165 atoms, 161 bonds, 20 residues, 1 model selected  

> transparency sel 90 ribbons

> ui mousemode right select

> select clear

> select GPR52_ECL2

248 atoms, 263 bonds, 31 residues, 1 model selected  
Drag select of 43 atoms, 30 residues, 37 bonds  

> select clear

> select GPR52_ECL2

248 atoms, 263 bonds, 31 residues, 1 model selected  

> select #4/R:114

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select GPR52_ECL2

248 atoms, 263 bonds, 31 residues, 1 model selected  

> select add #4/R:114

254 atoms, 266 bonds, 32 residues, 1 model selected  

> select subtract #4/R:114

248 atoms, 260 bonds, 31 residues, 1 model selected  

> select subtract #4/R:200

242 atoms, 253 bonds, 30 residues, 1 model selected  

> select subtract #4/R:201

237 atoms, 248 bonds, 29 residues, 1 model selected  

> select subtract #4/R:202

225 atoms, 235 bonds, 28 residues, 1 model selected  

> select subtract #4/R:203

214 atoms, 223 bonds, 27 residues, 1 model selected  

> select subtract #4/R:204

207 atoms, 216 bonds, 26 residues, 1 model selected  

> select subtract #4/R:205

203 atoms, 212 bonds, 25 residues, 1 model selected  

> select subtract #4/R:206

192 atoms, 200 bonds, 24 residues, 1 model selected  

> select subtract #4/R:208

185 atoms, 192 bonds, 23 residues, 1 model selected  

> select subtract #4/R:207

177 atoms, 185 bonds, 22 residues, 1 model selected  

> select subtract #4/R:209

171 atoms, 180 bonds, 21 residues, 1 model selected  

> name frozen GPR52_ECL2 sel

> select GPR52_ECL2

171 atoms, 180 bonds, 21 residues, 1 model selected  

> select clear

> select add #4/R:114

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #4/R:200

12 atoms, 10 bonds, 2 residues, 1 model selected  

> select add #4/R:201

17 atoms, 14 bonds, 3 residues, 1 model selected  

> select add #4/R:202

29 atoms, 26 bonds, 4 residues, 1 model selected  

> select add #4/R:203

40 atoms, 37 bonds, 5 residues, 1 model selected  

> select add #4/R:204

47 atoms, 43 bonds, 6 residues, 1 model selected  

> select add #4/R:205

51 atoms, 46 bonds, 7 residues, 1 model selected  

> select add #4/R:206

62 atoms, 57 bonds, 8 residues, 1 model selected  

> select add #4/R:207

70 atoms, 64 bonds, 9 residues, 1 model selected  

> select add #4/R:208

77 atoms, 70 bonds, 10 residues, 1 model selected  

> select add #4/R:209

83 atoms, 75 bonds, 11 residues, 1 model selected  

> transparency sel 90 ribbons

> select clear

Drag select of 15 residues  

> select clear

> select add #3

2237 atoms, 2308 bonds, 1 pseudobond, 274 residues, 2 models selected  

> select add #4

4540 atoms, 4684 bonds, 2 pseudobonds, 558 residues, 4 models selected  

> cartoon style (#!3-4 & sel & coil) xsection oval

> cartoon style (#!3-4 & sel) xsection barbell modeHelix default

> cartoon style (#!3-4 & sel) modeHelix tube sides 20

> cartoon style (#!3-4 & sel) xsection rectangle modeHelix default

> cartoon style (#!3-4 & sel) xsection oval modeHelix default

> select clear

> select GPR21_BS

144 atoms, 140 bonds, 16 residues, 1 model selected  

> transparency sel 90 All

> select GPR52_BS

165 atoms, 161 bonds, 20 residues, 1 model selected  

> transparency sel 90 All

> select clear

[Repeated 1 time(s)]

> tile spacingFactor 0.7 columns 2

2 models tiled  

> tile spacingFactor 0.5 columns 2

2 models tiled  

> select clear

> ui tool show Matchmaker

> matchmaker #!4 to #3

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR21_8hmv.pdb, chain A (#3) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 1120.2  
RMSD between 224 pruned atom pairs is 1.049 angstroms; (across all 273 pairs:
2.619)  
  

> matchmaker #!4 to #3

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR21_8hmv.pdb, chain A (#3) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 1120.2  
RMSD between 224 pruned atom pairs is 1.049 angstroms; (across all 273 pairs:
2.619)  
  

> select #3/A:205

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select clear

> ui mousemode right translate

> tile spacingFactor 0.5 columns 2

2 models tiled  

> save "/Users/dongju/Desktop/Research projects-
> Monash/NRE/Figure2_DL/Fig2B_GPR21 and 52.cxs"

——— End of log from Tue Feb 27 18:06:41 2024 ———

opened ChimeraX session  

> ui tool show Matchmaker

> matchmaker #!4 to #3

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR21_8hmv.pdb, chain A (#3) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 1120.2  
RMSD between 224 pruned atom pairs is 1.049 angstroms; (across all 273 pairs:
2.619)  
  

> matchmaker #!4 to #3

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR21_8hmv.pdb, chain A (#3) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 1120.2  
RMSD between 224 pruned atom pairs is 1.049 angstroms; (across all 273 pairs:
2.619)  
  

> ui tool show "Render by Attribute"

> ui tool show Matchmaker

> matchmaker #!4 to #3

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR21_8hmv.pdb, chain A (#3) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 1120.2  
RMSD between 224 pruned atom pairs is 1.049 angstroms; (across all 273 pairs:
2.619)  
  

> tile spacingFactor 2 columns 2

2 models tiled  

> tile spacingFactor 1 columns 2

2 models tiled  

> select GPR52_ECL2

171 atoms, 180 bonds, 21 residues, 1 model selected  

> color sel purple

> transparency sel 0 All

> color sel byhetero

> ui mousemode right select

> select add #4/R:112

179 atoms, 187 bonds, 22 residues, 1 model selected  

> select subtract #4/R:112

171 atoms, 180 bonds, 21 residues, 1 model selected  

> select add #4/R:112

179 atoms, 187 bonds, 22 residues, 1 model selected  

> select subtract #4/R:112

171 atoms, 180 bonds, 21 residues, 1 model selected  

> select add #4/R:114@SG

172 atoms, 180 bonds, 22 residues, 1 model selected  

> select subtract #4/R:114@SG

171 atoms, 180 bonds, 21 residues, 1 model selected  

> select add #4/R:113

178 atoms, 186 bonds, 22 residues, 1 model selected  

> select subtract #4/R:113

171 atoms, 180 bonds, 21 residues, 1 model selected  

> select add #4/R:114@CB

172 atoms, 180 bonds, 22 residues, 1 model selected  

> select subtract #4/R:193@SG

171 atoms, 180 bonds, 22 residues, 1 model selected  

> select add #4/R:193@SG

172 atoms, 180 bonds, 22 residues, 1 model selected  
Drag select of 1 bonds  

> select GPR52_ECL2

171 atoms, 180 bonds, 21 residues, 1 model selected  

> ui mousemode right translate

> ui mousemode right rotate

[Repeated 2 time(s)]

> ui mousemode right select

> select clear

> select #4/R:114@CB

1 atom, 1 residue, 1 model selected  

> select clear

> ui mousemode right translate

> ui mousemode right select

> select #4/R:111@CB

1 atom, 1 residue, 1 model selected  

> hide sel atoms

> select #4/R:111@OG

1 atom, 1 residue, 1 model selected  

> select #4/R:111@OG

1 atom, 1 residue, 1 model selected  
Drag select of 1 residues  

> select #4/R:111@OG

1 atom, 1 residue, 1 model selected  

> hide sel atoms

> select clear

> ui mousemode right rotate

> ui mousemode right translate

> ui mousemode right rotate

> select GPR21_ECL2

191 atoms, 203 bonds, 22 residues, 1 model selected  

> color sel medium blue

> color sel byhetero

> ui mousemode right select

> select clear

> ui tool show Matchmaker

> matchmaker #!4 to #3

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR21_8hmv.pdb, chain A (#3) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 1120.2  
RMSD between 224 pruned atom pairs is 1.049 angstroms; (across all 273 pairs:
2.619)  
  

> matchmaker #!4 to #3

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR21_8hmv.pdb, chain A (#3) with GPR52_6li3.pdb, chain R (#4),
sequence alignment score = 1120.2  
RMSD between 224 pruned atom pairs is 1.049 angstroms; (across all 273 pairs:
2.619)  
  
Drag select of 8 residues  

> select clear

> ui mousemode right translate

> select GPR52_ECL2

171 atoms, 180 bonds, 21 residues, 1 model selected  

> color sel hot pink

> color sel #db8de4ff

> color sel #dc8de4ff

[Repeated 1 time(s)]

> color sel #dd90e5ff

> color sel #dd94e5ff

> color sel #de9ae6ff

> color sel #df9ee6ff

> color sel #e0a1e7ff

> color sel #e1a4e7ff

> color sel #e1a5e8ff

> color sel #e1a6e8ff

> color sel #e1a5e8ff

> color sel #e1a6e7ff

> color sel #e0a6e8ff

> color sel #dfa7e8ff

> color sel #dfa6e8ff

> color sel #dea6e8ff

> color sel #dea4e6ff

> color sel #dc9fe6ff

> color sel #d88de4ff

> color sel #d789e3ff

> color sel #d686e3ff

> color sel #d684e2ff

> color sel #d484e2ff

> color sel #d484e3ff

[Repeated 3 time(s)]

> color sel #d283e3ff

[Repeated 2 time(s)]

> color sel #d384e2ff

[Repeated 1 time(s)]

> color sel #d388e3ff

> color sel #d48ae3ff

> color sel #d58de3ff

[Repeated 2 time(s)]

> color sel #d68ee3ff

> color sel #d791e4ff

> color sel #d896e5ff

> color sel #da98e4ff

> color sel #da98e5ff

> color sel #da99e5ff

> color sel #da9ae5ff

> color sel #db9de6ff

> color sel #dc9fe6ff

> color sel #dda2e6ff

[Repeated 1 time(s)]

> color sel #dea5e7ff

> color sel #dfa9e7ff

> color sel #e0ace8ff

> color sel #e0ade9ff

> color sel #e1aee8ff

> color sel #e0ade9ff

> color sel #e1ade9ff

> color sel #e0abe8ff

> color sel #e1aae8ff

> color sel #e1a9e8ff

[Repeated 3 time(s)]

> color sel #e1a7e8ff

> color sel #e1a8e7ff

> color sel #e0a7e7ff

> color sel #e0a8e7ff

> color sel #dfa7e7ff

[Repeated 3 time(s)]

> color sel #dea6e7ff

> color sel #dea6e8ff

[Repeated 2 time(s)]

> color sel #dda6e8ff

[Repeated 1 time(s)]

> color sel #dca7e8ff

[Repeated 4 time(s)]

> color sel #dca7e7ff

> color sel #dba6e8ff

> color sel #dba6e7ff

> color sel #daa6e8ff

> color sel #daa6e7ff

[Repeated 3 time(s)]

> color sel #daa6e8ff

[Repeated 1 time(s)]

> color sel #d9a7e8ff

> color sel #d8a7e8ff

> color sel #d8a7e7ff

> color sel #d6a7e7ff

[Repeated 1 time(s)]

> color sel #d4a6e7ff

> color sel #d4a7e7ff

> color sel #d4a6e7ff

[Repeated 1 time(s)]

> color sel #d4a7e7ff

> color sel #d3a7e7ff

[Repeated 1 time(s)]

> color sel #d4a9e7ff

> color sel #d6ade8ff

> color sel #d7b2eaff

> color sel #d9b7eaff

> color sel #dbbcebff

> color sel #ddbfecff

> color sel #dec1ecff

[Repeated 1 time(s)]

> color sel #dec2edff

> color sel #dfc3edff

[Repeated 1 time(s)]

> color sel #dec1ecff

> color sel #dbbbebff

> color sel #dab9ebff

> color sel #d8b3eaff

> color sel #d4aae7ff

> color sel #ce99e5ff

> color sel #cc94e4ff

> color sel #cb8fe4ff

> color sel #ca8de3ff

[Repeated 1 time(s)]

> color sel #ca8be3ff

> color sel #c886e3ff

> color sel #c783e2ff

> color sel #c781e2ff

> color sel #c680e1ff

> color sel #c77fe1ff

> color sel #c880e1ff

> color sel #c982e2ff

> color sel #ca85e3ff

> color sel #cb89e3ff

> color sel #cc8be3ff

> color sel #cc8ce3ff

> color sel #cd8ce3ff

[Repeated 2 time(s)]

> color sel #cc8be3ff

> color sel #cc8ae3ff

> color sel #cc89e2ff

> color sel #cb89e2ff

> color sel #cb89e3ff

[Repeated 1 time(s)]

> color sel #c989e3ff

> color sel #c989e2ff

[Repeated 1 time(s)]

> color sel #c889e2ff

> color sel #c88ae2ff

> color sel #c88ae3ff

[Repeated 1 time(s)]

> color sel #c88ae2ff

> color sel #c68ae2ff

> color sel #c689e2ff

> color sel #c489e3ff

> color sel #c387e3ff

> color sel #c085e2ff

> color sel #bf84e2ff

> color sel #bf83e2ff

> color sel #bd82e2ff

> color sel #bc7fe1ff

> color sel #bb7ce1ff

> color sel #ba79e1ff

> color sel #b874e1ff

[Repeated 1 time(s)]

> color sel #b670e1ff

> color sel #b468e0ff

> color sel #b060e1ff

> color sel #ae59e1ff

> color sel #ac56e1ff

> color sel #ab55e1ff

[Repeated 1 time(s)]

> color sel #ac55e1ff

[Repeated 1 time(s)]

> color sel #ad56e1ff

> color sel #ae56e1ff

[Repeated 1 time(s)]

> color sel #af57e1ff

> color sel #b157e1ff

[Repeated 1 time(s)]

> color sel #b359e1ff

> color sel #b35ae1ff

> color sel #b35be1ff

> color sel #b35be0ff

[Repeated 1 time(s)]

> color sel #b35ce0ff

> color sel #b45ce0ff

> color sel #b35ce0ff

[Repeated 1 time(s)]

> color sel #b45ce0ff

> color sel #b55de0ff

> color sel #b660e1ff

> color sel #b766e0ff

> color sel #ba6ce0ff

> color sel #bb70e1ff

> color sel #bb72e1ff

[Repeated 1 time(s)]

> color sel #bc72e1ff

> color sel #bc73e1ff

> color sel #bb73e1ff

> color sel #bc74e0ff

> color sel #ba75e1ff

> color sel #ba75e0ff

> color sel #b976e0ff

> color sel #ba78e1ff

> color sel #ba79e1ff

> color sel #b979e1ff

> color sel #ba7ae1ff

> color sel #b97ae1ff

> color sel #b87ae1ff

> color sel #b77ae1ff

> color sel #b87be1ff

> color sel #bb82e2ff

> color sel #be88e3ff

> color sel #c18fe4ff

> color sel #c699e5ff

> color sel #c79ae4ff

[Repeated 1 time(s)]

> color sel #c899e5ff

[Repeated 1 time(s)]

> color sel #c998e5ff

> color sel #ca99e4ff

> color sel #cb98e4ff

[Repeated 2 time(s)]

> color sel #cb99e4ff

[Repeated 1 time(s)]

> color sel #cb98e5ff

[Repeated 1 time(s)]

> color sel #cb97e5ff

> color sel #cc96e4ff

> color sel #cc95e4ff

[Repeated 1 time(s)]

> color sel #cc94e4ff

> color sel #cc93e4ff

> color sel #cc94e4ff

> color sel #cc93e4ff

> color sel #cd94e4ff

[Repeated 1 time(s)]

> color sel #cc93e4ff

[Repeated 1 time(s)]

> color sel #cc92e4ff

> color sel #cc91e3ff

> color sel #cd91e4ff

> color sel #cd90e4ff

> color sel #cd8fe4ff

> color sel #cd8ee3ff

[Repeated 1 time(s)]

> color sel #cc8be3ff

> color sel #c885e3ff

> color sel #c680e1ff

> color sel #c47ae1ff

> color sel #c377e1ff

> color sel #c376e1ff

[Repeated 2 time(s)]

> color sel #c577e1ff

> color sel #c678e1ff

[Repeated 1 time(s)]

> color sel #c778e2ff

> color sel #c678e1ff

> color sel #c478e1ff

> color sel #c379e1ff

> color sel #c278e1ff

> color sel #c178e1ff

> color sel #be79e1ff

> color sel #be79e2ff

[Repeated 2 time(s)]

> color sel #be7ae1ff

> color sel #bc7be1ff

> color sel #bc7ce1ff

> color sel #bc7ee1ff

[Repeated 3 time(s)]

> color sel #bc7fe1ff

> color sel #bc80e2ff

> color sel #ba80e2ff

[Repeated 2 time(s)]

> color sel #bc80e2ff

> color sel #bd80e2ff

[Repeated 1 time(s)]

> color sel #be81e3ff

> color sel #be81e2ff

> color sel #bf82e3ff

[Repeated 3 time(s)]

> color sel #c182e2ff

[Repeated 2 time(s)]

> color sel #c283e2ff

> color sel #c284e2ff

> color sel #c385e2ff

[Repeated 2 time(s)]

> color sel #c386e2ff

> color sel #c488e3ff

> color sel #c58be2ff

> color sel #c78ee4ff

> color sel #c892e4ff

> color sel #c893e4ff

[Repeated 1 time(s)]

> color sel #c993e4ff

[Repeated 1 time(s)]

> color sel #c994e4ff

> color sel #c996e4ff

> color sel #ca97e5ff

> color sel #cb98e4ff

> color sel #cc9ce5ff

> color sel #cd9ee6ff

[Repeated 1 time(s)]

> color sel #ce9fe6ff

> color sel byhetero

> ui mousemode right select

> select clear

> select GPR21_ECL2

191 atoms, 203 bonds, 22 residues, 1 model selected  

> color sel #8393e2ff

> color sel #8b99e3ff

> color sel #929fe4ff

> color sel #99a2e4ff

> color sel #9ca5e5ff

> color sel #9da6e5ff

[Repeated 3 time(s)]

> color sel #9ca8e5ff

[Repeated 5 time(s)]

> color sel #9aa6e5ff

> color sel #97a5e4ff

> color sel #93a2e4ff

> color sel #8e9ee3ff

> color sel #8598e2ff

> color sel #8395e3ff

> color sel #8294e2ff

[Repeated 1 time(s)]

> color sel #8194e2ff

> color sel #8093e2ff

> color sel #7e91e1ff

> color sel #798ee1ff

> color sel #758be1ff

> color sel #6d84e1ff

> color sel #6b83e1ff

> color sel #6983e1ff

> color sel #6982e0ff

> color sel #6882e0ff

[Repeated 1 time(s)]

> color sel #607be0ff

> color sel #5975e0ff

> color sel #5473e1ff

> color sel #5172e1ff

> color sel #4f70e1ff

> color sel #4e70e2ff

[Repeated 1 time(s)]

> color sel #4e6fe2ff

> color sel #4c6ee1ff

> color sel #486be1ff

> color sel #4266e2ff

> color sel #3d62e3ff

> color sel #385fe4ff

> color sel #355de4ff

> color sel #345ce5ff

> color sel #325ce5ff

> color sel #2f59e6ff

> color sel #2e59e6ff

> color sel #2e58e6ff

> color sel #2d58e6ff

> color sel #2d59e6ff

[Repeated 1 time(s)]

> color sel #2e5ae7ff

> color sel #2e5be7ff

> color sel #3061e7ff

> color sel #3161e7ff

> color sel #3163e7ff

> color sel #3164e7ff

> color sel #3266e7ff

> color sel #346ae7ff

> color sel #356fe7ff

> color sel #3670e7ff

> color sel #3773e8ff

> color sel #3874e8ff

> color sel #3774e8ff

> color sel #3874e8ff

[Repeated 1 time(s)]

> color sel #3875e8ff

> color sel #3976e8ff

> color sel #3a7ae8ff

> color sel #3b7be8ff

> color sel #3c7ee8ff

[Repeated 1 time(s)]

> color sel #3d80e8ff

> color sel #3e82e8ff

> color sel #3f84e8ff

[Repeated 1 time(s)]

> color sel #3f85e8ff

[Repeated 1 time(s)]

> color sel #3f84e9ff

> color sel #3d83e9ff

> color sel #3a81ebff

[Repeated 1 time(s)]

> color sel #397feaff

> color sel #3a81eaff

> color sel #3981ecff

> color sel #377eecff

> color sel #367deeff

[Repeated 1 time(s)]

> color sel #347aeeff

> color sel #357ceeff

> color sel #337aefff

> color sel #357defff

> color sel #357ef0ff

> color sel #347cf0ff

> color sel #357df0ff

> color sel #347df0ff

> color sel #347cf0ff

> color sel #347df0ff

[Repeated 1 time(s)]

> color sel #347df1ff

[Repeated 1 time(s)]

> color sel #347df2ff

> color sel #357ef1ff

> color sel #347ef1ff

[Repeated 1 time(s)]

> color sel #347ef2ff

> color sel #3681f2ff

[Repeated 1 time(s)]

> color sel #3682f3ff

> color sel #3581f3ff

> color sel #3580f3ff

[Repeated 1 time(s)]

> color sel #3581f4ff

> color sel #3581f3ff

[Repeated 1 time(s)]

> color sel #3580f5ff

[Repeated 3 time(s)]

> color sel #3581f4ff

> color sel #3581f6ff

> color sel #3581f5ff

[Repeated 1 time(s)]

> color sel #3581f6ff

> color sel #3481f7ff

> color sel #3480f7ff

> color sel #327cf6ff

> color sel #327df6ff

> color sel #327cf6ff

> color sel #2f76f5ff

> color sel #2e75f5ff

> color sel #2d74f5ff

[Repeated 1 time(s)]

> color sel #2e74f4ff

> color sel #2e75f4ff

[Repeated 1 time(s)]

> color sel #2e75f3ff

> color sel #2f76f3ff

[Repeated 1 time(s)]

> color sel #3076f2ff

> color sel #3077f1ff

> color sel #3077f0ff

> color sel #3076efff

> color sel #3075eaff

> color sel #3073e0ff

> color sel #3070d8ff

> color sel #306ecfff

> color sel #306bc9ff

> color sel #2f69c6ff

[Repeated 1 time(s)]

> color sel byhetero

> select clear

> save "/Users/dongju/Desktop/Research projects-
> Monash/NRE/Figure2_DL/Fig2B_GPR21 and 52_focus1.png" width 2000 height 1502
> supersample 3

> save "/Users/dongju/Desktop/Research projects-
> Monash/NRE/Figure2_DL/Fig2B_GPR21 and 52_superimposed.cxs"

> close session

> open 8HS3

8hs3 title:  
Gi bound orphan GPR20 in ligand-free state [more info...]  
  
Chain information for 8hs3 #1  
---  
Chain | Description | UniProt  
A | Guanine nucleotide-binding protein G(i) subunit alpha-1 | GNAI1_HUMAN 1-354  
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 1-340  
C | Ggama |   
R | Soluble cytochrome b562,G-protein coupled receptor 20 | C562_ECOLX -106--1, GPR20_HUMAN 1-358  
S | scFv16 |   
  

> open 8HS2

Summary of feedback from opening 8HS2 fetched from pdb  
---  
note | Fetching compressed mmCIF 8hs2 from http://files.rcsb.org/download/8hs2.cif  
  
8hs2 title:  
Orphan GPR20 in complex with Fab046 [more info...]  
  
Chain information for 8hs2 #2  
---  
Chain | Description | UniProt  
B | heavy chain of Fab046 |   
C | Light chain of Fab046 |   
R | Soluble cytochrome b562,G-protein coupled receptor 20 | C562_ECOLX -98--1, GPR20_HUMAN 1-316  
  

> open 8HSC

Summary of feedback from opening 8HSC fetched from pdb  
---  
note | Fetching compressed mmCIF 8hsc from http://files.rcsb.org/download/8hsc.cif  
  
8hsc title:  
Gi bound Orphan GPR20 complex with Fab046 in ligand-free state [more info...]  
  
Chain information for 8hsc #3  
---  
Chain | Description | UniProt  
A | Guanine nucleotide-binding protein G(i) subunit alpha-1 | GNAI1_HUMAN 1-354  
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 1-340  
C | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
E | light chain of Fab046 |   
F | heavy chain of Fab046 |   
R | Soluble cytochrome b562,G-protein coupled receptor 20 | C562_ECOLX -98--1, GPR20_HUMAN 1-358  
S | scFv16 |   
  

> hide atoms

> show cartoons

> hide atoms

> show cartoons

> hide atoms

> show cartoons

> rename #1 GPR20_Gi

> rename #2 GPR20_Gi_Fab046

> rename #3 GPR20_Gi_Fab046_ligand

> ui tool show Matchmaker

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR20_Gi, chain R (#1) with GPR20_Gi_Fab046, chain R (#2), sequence
alignment score = 1937.2  
RMSD between 209 pruned atom pairs is 1.012 angstroms; (across all 278 pairs:
2.786)  
  
Matchmaker GPR20_Gi, chain R (#1) with GPR20_Gi_Fab046_ligand, chain R (#3),
sequence alignment score = 2126.4  
RMSD between 261 pruned atom pairs is 0.809 angstroms; (across all 271 pairs:
1.114)  
  

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR20_Gi, chain R (#1) with GPR20_Gi_Fab046, chain R (#2), sequence
alignment score = 1937.2  
RMSD between 209 pruned atom pairs is 1.012 angstroms; (across all 278 pairs:
2.786)  
  
Matchmaker GPR20_Gi, chain R (#1) with GPR20_Gi_Fab046_ligand, chain R (#3),
sequence alignment score = 2126.4  
RMSD between 261 pruned atom pairs is 0.809 angstroms; (across all 271 pairs:
1.114)  
  

> select clear

[Repeated 2 time(s)]

> ui mousemode right translate

> select #2/B#3/F

2542 atoms, 2605 bonds, 1 pseudobond, 340 residues, 3 models selected  

> hide sel cartoons

> select #2/B#3/F

2542 atoms, 2605 bonds, 1 pseudobond, 340 residues, 3 models selected  

> hide sel cartoons

> select #3/E

747 atoms, 764 bonds, 105 residues, 1 model selected  

> hide sel cartoons

> select #2/C

1623 atoms, 1658 bonds, 211 residues, 1 model selected  

> hide sel cartoons

> select #1/C

438 atoms, 444 bonds, 57 residues, 1 model selected  

> hide sel cartoons

> select #3/C

438 atoms, 444 bonds, 57 residues, 1 model selected  

> hide sel cartoons

> select #1/B#3/B

5180 atoms, 5274 bonds, 676 residues, 2 models selected  

> hide sel cartoons

> select #1/A#3/A

3421 atoms, 3479 bonds, 4 pseudobonds, 436 residues, 4 models selected  

> hide sel cartoons

> select #1/S#3/S

3520 atoms, 3612 bonds, 2 pseudobonds, 464 residues, 4 models selected  

> hide sel cartoons

> color #1 #de9a85ff

> color #2 #6debf4ff

> color #2 #5daee5ff

> color #3 #9ce5a7ff

> color #3 #afe9ccff

> color #3 #a4e7b8ff

> rename #2 8HS2_GPR20_Fab046_inactive

> rename #1 8HS3_GPR20_Gi

> rename #3 8HSC_GPR20_Gi_Fab046

> open /Users/dongju/Downloads/8hsc.cif

8hsc.cif title:  
Gi bound Orphan GPR20 complex with Fab046 in ligand-free state [more info...]  
  
Chain information for 8hsc.cif #4  
---  
Chain | Description | UniProt  
A | Guanine nucleotide-binding protein G(i) subunit alpha-1 | GNAI1_HUMAN 1-354  
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 1-340  
C | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
E | light chain of Fab046 |   
F | heavy chain of Fab046 |   
R | Soluble cytochrome b562,G-protein coupled receptor 20 | C562_ECOLX -98--1, GPR20_HUMAN 1-358  
S | scFv16 |   
  

> close #4

> ui tool show "Show Sequence Viewer"

> sequence chain #1/R #3/R

Alignment identifier is 1  

> sequence chain #2/R

Alignment identifier is 2/R  

> ui mousemode right select

> select #2/R:31

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/R:31-32

16 atoms, 15 bonds, 2 residues, 1 model selected  

> select #2/R:31-51

172 atoms, 178 bonds, 21 residues, 1 model selected  

> select #2/R:51

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #2/R:50-51

11 atoms, 11 bonds, 2 residues, 1 model selected  

> select #2/R:48

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/R:33-48

134 atoms, 138 bonds, 16 residues, 1 model selected  

> open /Users/dongju/Downloads/emd_34993_8HSC.map

Opened emd_34993_8HSC.map as #4, grid size 288,288,288, pixel 0.832, shown at
level 0.0663, step 2, values float32  

> open /Users/dongju/Downloads/emd_34984_8HS3.map

Opened emd_34984_8HS3.map as #5, grid size 256,256,256, pixel 0.832, shown at
level 0.0743, step 1, values float32  

> open /Users/dongju/Downloads/emd_34983_8HS2.map

Opened emd_34983_8HS2.map as #6, grid size 288,288,288, pixel 0.832, shown at
level 0.0516, step 2, values float32  

> volume #4 step 1

> volume #4 level 0.1209

> volume #4 level 0.1482

> volume #5 level 0.2588

> ui tool show Matchmaker

> ui tool show "Volume Viewer"

> volume #6 level 0.07988

> volume #6 step 1

> hide #!1 models

> hide #!2 models

> hide #!5 models

> hide #!6 models

> ui tool show Matchmaker

> ui mousemode right "translate selected models"

> view matrix models
> #2,-0.66094,-0.49694,0.56232,175.69,-0.53308,0.83831,0.11426,53.27,-0.52819,-0.22424,-0.81898,328.71

> view matrix models
> #2,-0.66094,-0.49694,0.56232,187.93,-0.53308,0.83831,0.11426,49.694,-0.52819,-0.22424,-0.81898,321.04

> ui mousemode right select

> select #3/R:72

4 atoms, 3 bonds, 1 residue, 1 model selected  

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.93357,0.34606,0.093248,-43.297,0.33762,-0.93645,0.095263,167.2,0.12029,-0.057452,-0.99108,194.25

> view matrix models
> #3,-0.51119,0.84884,0.13475,77.887,0.81415,0.42801,0.39238,-82.802,0.27539,0.31028,-0.90988,123.36

> view matrix models
> #3,-0.88503,0.45316,0.10663,174.49,0.42766,0.70091,0.57081,-83.556,0.18393,0.55079,-0.81413,97.227

> view matrix models
> #3,-0.88503,0.45316,0.10663,170.85,0.42766,0.70091,0.57081,-81.442,0.18393,0.55079,-0.81413,95.902

> view matrix models
> #3,-0.80184,0.58234,0.13393,142.41,0.55335,0.63904,0.53426,-86.516,0.22553,0.5025,-0.83464,98.322

> view matrix models
> #3,-0.67352,0.69432,0.25358,100.83,0.69464,0.47726,0.53824,-86.06,0.25269,0.53866,-0.80374,87.501

> view matrix models
> #3,-0.67352,0.69432,0.25358,99.559,0.69464,0.47726,0.53824,-84.317,0.25269,0.53866,-0.80374,86.836

> view matrix models
> #3,-0.67352,0.69432,0.25358,103.6,0.69464,0.47726,0.53824,-78.659,0.25269,0.53866,-0.80374,87.642

> view matrix models
> #3,-0.67352,0.69432,0.25358,101.9,0.69464,0.47726,0.53824,-81.537,0.25269,0.53866,-0.80374,87.881

> view matrix models
> #3,-0.77048,0.63329,-0.072754,154.6,0.61462,0.7683,0.17876,-68.663,0.16911,0.093017,-0.9812,168.54

> view matrix models
> #3,-0.82945,0.55796,-0.026453,166.17,0.54449,0.81819,0.18466,-66.146,0.12467,0.13876,-0.98245,169

> view matrix models
> #3,-0.7649,0.62275,-0.16465,163.96,0.57843,0.77652,0.24987,-72.652,0.28346,0.095892,-0.95418,150.42

> view matrix models
> #3,-0.57526,0.80453,-0.14766,116.89,0.78725,0.59357,0.16707,-69.492,0.22206,-0.020139,-0.97482,173.87

> view matrix models
> #3,-0.52785,0.84917,-0.016692,92.307,0.79491,0.50085,0.34243,-77.518,0.29914,0.16748,-0.93939,138.57

> view matrix models
> #3,-0.52785,0.84917,-0.016692,93.135,0.79491,0.50085,0.34243,-77.648,0.29914,0.16748,-0.93939,138.03

> view matrix models
> #3,0.093474,0.99512,-0.031604,-1.4959,0.97954,-0.086236,0.18183,-16.375,0.17821,-0.047953,-0.98282,182.96

> view matrix models
> #3,0.093474,0.99512,-0.031604,2.2278,0.97954,-0.086236,0.18183,-13.581,0.17821,-0.047953,-0.98282,182.85

> view matrix models
> #3,0.093474,0.99512,-0.031604,-1.127,0.97954,-0.086236,0.18183,-11.923,0.17821,-0.047953,-0.98282,186.13

> view matrix models
> #3,0.093474,0.99512,-0.031604,0.47057,0.97954,-0.086236,0.18183,-11.34,0.17821,-0.047953,-0.98282,185.1

> view matrix models
> #3,-0.66744,0.74453,-0.014128,124.82,0.71103,0.64281,0.28501,-72.629,0.22128,0.18018,-0.95842,150.54

> view matrix models
> #3,-0.80751,0.58888,-0.033914,162.82,0.5487,0.77103,0.32318,-70.785,0.21646,0.24236,-0.94573,142.61

> view matrix models
> #3,-0.80751,0.58888,-0.033914,162.81,0.5487,0.77103,0.32318,-74.395,0.21646,0.24236,-0.94573,141.53

> view matrix models
> #3,-0.80751,0.58888,-0.033914,162.85,0.5487,0.77103,0.32318,-75.3,0.21646,0.24236,-0.94573,142.26

> view matrix models
> #3,-0.80751,0.58888,-0.033914,162.54,0.5487,0.77103,0.32318,-76.609,0.21646,0.24236,-0.94573,142.33

> view matrix models
> #3,-0.80751,0.58888,-0.033914,162.1,0.5487,0.77103,0.32318,-74.881,0.21646,0.24236,-0.94573,139.97

> view matrix models
> #3,-0.80751,0.58888,-0.033914,162.34,0.5487,0.77103,0.32318,-75.253,0.21646,0.24236,-0.94573,140.88

> view matrix models
> #3,0.83163,0.46396,-0.30519,-4.2444,0.41363,-0.88419,-0.21704,189.9,-0.37054,0.054263,-0.92723,235.69

> view matrix models
> #3,0.83163,0.46396,-0.30519,-3.0296,0.41363,-0.88419,-0.21704,193.24,-0.37054,0.054263,-0.92723,236.66

> view matrix models
> #3,0.86824,0.41245,-0.27576,-4.6855,0.41429,-0.90851,-0.054441,179.43,-0.27299,-0.066978,-0.95968,241.67

> view matrix models
> #3,0.89953,0.21953,-0.3777,24.199,0.22188,-0.97434,-0.037874,209.92,-0.37633,-0.049738,-0.92515,249.31

> view matrix models
> #3,0.89953,0.21953,-0.3777,23.944,0.22188,-0.97434,-0.037874,209.58,-0.37633,-0.049738,-0.92515,248.86

> fitmap #3 inMap #4

Fit molecule 8HSC_GPR20_Gi_Fab046 (#3) to map emd_34993_8HSC.map (#4) using
10180 atoms  
average map value = 0.0274, steps = 2000  
shifted from previous position = 3.33  
rotated from previous position = 5.74 degrees  
atoms outside contour = 9387, contour level = 0.14824  
  
Position of 8HSC_GPR20_Gi_Fab046 (#3) relative to emd_34993_8HSC.map (#4)
coordinates:  
Matrix rotation and translation  
0.91461808 0.14723549 -0.37655739 30.60679389  
0.12928020 -0.98894154 -0.07267228 223.46689144  
-0.38309319 0.01778597 -0.92353845 242.16145145  
Axis 0.97841004 0.07069214 -0.19420714  
Axis point 0.00000000 107.76880125 126.76037093  
Rotation angle (degrees) 177.35043408  
Shift along axis -1.28613697  
  

> volume #4 level 0.1452

> view matrix models
> #3,0.91462,0.14724,-0.37656,32.421,0.12928,-0.98894,-0.072672,223.3,-0.38309,0.017786,-0.92354,241.83

> view matrix models
> #3,0.91462,0.14724,-0.37656,32.18,0.12928,-0.98894,-0.072672,226.13,-0.38309,0.017786,-0.92354,243.77

> view matrix models
> #3,0.91462,0.14724,-0.37656,32.165,0.12928,-0.98894,-0.072672,226.84,-0.38309,0.017786,-0.92354,244.46

> view matrix models
> #3,0.90511,0.026312,-0.42436,52.339,-0.0035374,-0.99758,-0.0694,244.43,-0.42516,0.064316,-0.90283,242.29

> view matrix models
> #3,0.90252,0.18234,-0.39015,30.999,0.15711,-0.98291,-0.095931,224.96,-0.40097,0.025284,-0.91574,245.07

> view matrix models
> #3,0.88972,0.12733,-0.4384,43.954,0.20136,-0.97131,0.12653,195.32,-0.40971,-0.20085,-0.88983,269.9

> view matrix models
> #3,0.88972,0.12733,-0.4384,40.716,0.20136,-0.97131,0.12653,194.54,-0.40971,-0.20085,-0.88983,269.4

> view matrix models
> #3,0.88972,0.12733,-0.4384,46.55,0.20136,-0.97131,0.12653,190.73,-0.40971,-0.20085,-0.88983,266.09

> view matrix models
> #3,0.32337,-0.74179,-0.58752,235.18,-0.78565,-0.55653,0.27023,253.47,-0.52743,0.3742,-0.76276,201.11

> view matrix models
> #3,0.010257,-0.81438,-0.58024,282.74,-0.92007,-0.23495,0.31349,228.73,-0.39163,0.53064,-0.7517,164.66

> view matrix models
> #3,-0.39048,-0.77953,-0.48976,320.5,-0.88506,0.17147,0.43274,164.75,-0.25335,0.60244,-0.75689,139.21

> view matrix models
> #3,-0.39048,-0.77953,-0.48976,316.86,-0.88506,0.17147,0.43274,167.11,-0.25335,0.60244,-0.75689,139.26

> view matrix models
> #3,-0.39048,-0.77953,-0.48976,318.95,-0.88506,0.17147,0.43274,165.76,-0.25335,0.60244,-0.75689,140.57

> view matrix models
> #3,-0.39048,-0.77953,-0.48976,323.43,-0.88506,0.17147,0.43274,129.86,-0.25335,0.60244,-0.75689,136.61

> view matrix models
> #3,-0.39048,-0.77953,-0.48976,323.18,-0.88506,0.17147,0.43274,132.09,-0.25335,0.60244,-0.75689,136.97

> view matrix models
> #3,-0.39048,-0.77953,-0.48976,323.92,-0.88506,0.17147,0.43274,125.72,-0.25335,0.60244,-0.75689,136.07

> view matrix models
> #3,-0.18508,-0.80947,-0.55722,308.12,-0.93879,-0.02201,0.34378,164.18,-0.29055,0.58674,-0.75585,142.53

> view matrix models
> #3,0.77449,-0.24089,-0.58493,122.45,-0.37681,-0.91839,-0.12071,244.39,-0.50811,0.31389,-0.80205,206.75

> view matrix models
> #3,0.77934,-0.3091,-0.54505,125.72,-0.43088,-0.89592,-0.10802,247.36,-0.45493,0.31904,-0.83142,202.37

> view matrix models
> #3,0.77934,-0.3091,-0.54505,125.74,-0.43088,-0.89592,-0.10802,246.8,-0.45493,0.31904,-0.83142,202.13

> volume #4 level 0.1179

> volume #4 step 2

> volume #4 level 0.112

> view matrix models
> #3,0.77934,-0.3091,-0.54505,125.33,-0.43088,-0.89592,-0.10802,246.76,-0.45493,0.31904,-0.83142,200.81

> view matrix models
> #3,0.082947,-0.78047,-0.61966,276.57,-0.94992,-0.24991,0.18761,207.46,-0.30128,0.57307,-0.76212,144.58

> view matrix models
> #3,-0.4667,-0.70065,-0.53971,329.13,-0.8764,0.28438,0.38866,115.34,-0.11883,0.65439,-0.74676,110.3

> view matrix models
> #3,0.58693,-0.61049,-0.5318,183.62,-0.70194,-0.71102,0.041526,244.5,-0.40348,0.34892,-0.84585,192.25

> view matrix models
> #3,-0.22678,-0.77554,-0.58916,312.34,-0.94693,0.034069,0.31964,160.53,-0.22783,0.63037,-0.74211,126.5

> view matrix models
> #3,-0.22678,-0.77554,-0.58916,312.47,-0.94693,0.034069,0.31964,159.06,-0.22783,0.63037,-0.74211,125.76

> view matrix models
> #3,-0.22678,-0.77554,-0.58916,306.62,-0.94693,0.034069,0.31964,194.89,-0.22783,0.63037,-0.74211,134.82

> view matrix models
> #3,-0.20904,-0.79913,-0.56364,304.52,-0.94623,0.019792,0.32288,196.14,-0.24687,0.60083,-0.7603,142.55

> view matrix models
> #3,-0.40537,-0.74265,-0.53305,319.82,-0.89876,0.21723,0.38083,161.18,-0.16703,0.63347,-0.75553,128.08

> view matrix models
> #3,-0.21668,-0.8158,-0.53621,304.64,-0.94315,0.033144,0.3307,193.39,-0.25201,0.57738,-0.77661,147.59

> view matrix models
> #3,-0.04307,-0.80758,-0.58819,286.86,-0.95413,-0.14134,0.26393,221.93,-0.29628,0.57257,-0.76445,152.55

> view matrix models
> #3,-0.13131,-0.78665,-0.60327,297.2,-0.84368,-0.23086,0.48467,195.82,-0.52054,0.57261,-0.63337,167.77

> view matrix models
> #3,-0.13131,-0.78665,-0.60327,296.82,-0.84368,-0.23086,0.48467,199.02,-0.52054,0.57261,-0.63337,169.11

> view matrix models
> #3,-0.27126,-0.77367,-0.57259,310.01,-0.83724,-0.10381,0.53689,178.07,-0.47482,0.62503,-0.61959,155.77

> view matrix models
> #3,-0.27126,-0.77367,-0.57259,310.24,-0.83724,-0.10381,0.53689,176.06,-0.47482,0.62503,-0.61959,154.92

> view matrix models
> #3,-0.14382,-0.80407,-0.57688,297.99,-0.83585,-0.21337,0.50578,191.82,-0.52978,0.55493,-0.6414,172.31

> view matrix models
> #3,-0.29277,-0.76871,-0.56866,312,-0.84265,-0.073663,0.5334,173.59,-0.45192,0.63534,-0.62619,151.47

> view matrix models
> #3,-0.23586,-0.78322,-0.57527,307.12,-0.84616,-0.1256,0.51792,181.67,-0.47789,0.60893,-0.63311,158.56

> view matrix models
> #3,-0.21033,-0.76212,-0.61232,305.18,-0.8526,-0.16347,0.49633,189.1,-0.47837,0.62645,-0.6154,154.78

> view matrix models
> #3,-0.26491,-0.74784,-0.60873,310.1,-0.75848,-0.22821,0.61044,173.04,-0.59543,0.62342,-0.50676,158.98

> view matrix models
> #3,-0.29475,-0.74763,-0.59512,312.49,-0.75583,-0.19865,0.6239,167.89,-0.58467,0.63371,-0.50653,156.38

> view matrix models
> #3,-0.45299,-0.7036,-0.5475,322.66,-0.73873,-0.047553,0.67232,143.16,-0.49908,0.70901,-0.49823,135.86

> view matrix models
> #3,-0.41221,-0.79577,-0.44366,317.64,-0.72441,-0.0090641,0.68931,135.12,-0.55255,0.60553,-0.57273,162.32

> view matrix models
> #3,-0.45091,-0.78185,-0.43056,319.61,-0.73886,0.056334,0.6715,131.16,-0.50076,0.62091,-0.60308,157.02

> view matrix models
> #3,-0.43427,-0.81195,-0.39007,316.88,-0.76085,0.098815,0.64136,132.07,-0.48221,0.57531,-0.66068,165.84

> view matrix models
> #3,-0.45261,-0.83042,-0.32488,314.73,-0.70845,0.11363,0.69655,118.05,-0.54152,0.54542,-0.63974,174.74

> view matrix models
> #3,-0.32649,-0.87591,-0.35521,307.06,-0.77098,0.029381,0.63619,141.98,-0.54681,0.48157,-0.6849,187.46

> volume #4 level 0.1297

> view matrix models
> #3,-0.61561,-0.73719,-0.27852,319.9,-0.66216,0.29225,0.69002,92,-0.42728,0.60921,-0.66805,155.64

> view matrix models
> #3,-0.61561,-0.73719,-0.27852,320.13,-0.66216,0.29225,0.69002,91.878,-0.42728,0.60921,-0.66805,155.52

> view matrix models
> #3,-0.61561,-0.73719,-0.27852,320.08,-0.66216,0.29225,0.69002,91.943,-0.42728,0.60921,-0.66805,155.44

> view matrix models
> #3,-0.6096,-0.72746,-0.31495,321.89,-0.69807,0.30439,0.64811,99.371,-0.3756,0.61494,-0.69337,150.77

> fitmap #3 inMap #4

Fit molecule 8HSC_GPR20_Gi_Fab046 (#3) to map emd_34993_8HSC.map (#4) using
10180 atoms  
average map value = 0.0221, steps = 104  
shifted from previous position = 2.25  
rotated from previous position = 3.51 degrees  
atoms outside contour = 9538, contour level = 0.12972  
  
Position of 8HSC_GPR20_Gi_Fab046 (#3) relative to emd_34993_8HSC.map (#4)
coordinates:  
Matrix rotation and translation  
-0.62301685 -0.69907813 -0.35091276 323.82273294  
-0.68755815 0.27551529 0.67182967 98.03304027  
-0.37297960 0.65983413 -0.65230754 141.85275258  
Axis -0.43411156 0.79858647 0.41690143  
Axis point 189.17599306 0.00000000 43.94258769  
Rotation angle (degrees) 179.20836547  
Shift along axis -3.14871614  
  

> view matrix models
> #3,-0.50698,-0.76943,-0.38852,321.07,-0.75712,0.18207,0.62739,122.31,-0.41199,0.61223,-0.67486,154.67

> view matrix models
> #3,-0.44059,-0.77377,-0.45516,319.91,-0.77446,0.071218,0.6286,137.32,-0.45398,0.62945,-0.63063,153.5

> view matrix models
> #3,-0.43453,-0.81371,-0.38608,316.74,-0.72342,0.059974,0.6878,126.04,-0.53652,0.57816,-0.61472,168.45

> fitmap #3 inMap #4

Fit molecule 8HSC_GPR20_Gi_Fab046 (#3) to map emd_34993_8HSC.map (#4) using
10180 atoms  
average map value = 0.023, steps = 96  
shifted from previous position = 2.09  
rotated from previous position = 1.11 degrees  
atoms outside contour = 9505, contour level = 0.12972  
  
Position of 8HSC_GPR20_Gi_Fab046 (#3) relative to emd_34993_8HSC.map (#4)
coordinates:  
Matrix rotation and translation  
-0.44845125 -0.81009030 -0.37768396 315.90059723  
-0.71094998 0.06720042 0.70002444 120.88839438  
-0.54170249 0.58244124 -0.60606979 166.07985794  
Axis -0.52294492 0.72946357 0.44092121  
Axis point 207.76601541 0.00000000 34.37096576  
Rotation angle (degrees) 173.54492804  
Shift along axis -3.78680211  
  

> view matrix models
> #3,-0.44845,-0.81009,-0.37768,317.11,-0.71095,0.0672,0.70002,122.03,-0.5417,0.58244,-0.60607,166.15

> view matrix models
> #3,-0.67213,-0.70147,-0.23705,318.61,-0.62506,0.36592,0.68949,77.347,-0.39691,0.61159,-0.68441,152.29

> fitmap #3 inMap #4

Fit molecule 8HSC_GPR20_Gi_Fab046 (#3) to map emd_34993_8HSC.map (#4) using
10180 atoms  
average map value = 0.02221, steps = 116  
shifted from previous position = 4.71  
rotated from previous position = 3.45 degrees  
atoms outside contour = 9519, contour level = 0.12972  
  
Position of 8HSC_GPR20_Gi_Fab046 (#3) relative to emd_34993_8HSC.map (#4)
coordinates:  
Matrix rotation and translation  
-0.68110775 -0.69314286 -0.23589237 317.39915571  
-0.59453884 0.33553836 0.73071032 75.24072237  
-0.42733570 0.63793964 -0.64063813 150.39958608  
Axis -0.39564854 0.81646779 0.42052656  
Axis point 182.36124367 0.00000000 44.40256038  
Rotation angle (degrees) 173.26723037  
Shift along axis -0.89986505  
  

> ui mousemode right select

> select #4

2 models selected  

> transparency sel 50

> volume sel style surface

> volume sel style mesh

> volume sel style surface

> volume sel style image

> volume sel style surface

> ui mousemode right "translate selected models"

> view matrix models #4,1,0,0,2.0559,0,1,0,1.5028,0,0,1,1.3583

> view matrix models #4,1,0,0,1.2063,0,1,0,1.1243,0,0,1,1.5043

> view matrix models
> #4,0.99528,0.092143,0.030326,-13.044,-0.09264,0.99558,0.015378,10.758,-0.028775,-0.018115,0.99942,7.1682

> view matrix models
> #4,0.9954,-0.095297,-0.00972,14.534,0.095052,0.9952,-0.023185,-6.7552,0.011883,0.022155,0.99968,-2.5645

> view matrix models
> #4,0.99962,-0.026307,0.0080892,3.5248,0.026384,0.99961,-0.0096414,-0.80377,-0.0078324,0.0098512,0.99992,1.2291

> view matrix models
> #4,0.99943,-0.014015,-0.030553,6.5485,0.013272,0.99961,-0.024392,2.4556,0.030883,0.023973,0.99924,-4.9672

> view matrix models
> #4,0.99801,0.061414,-0.014131,-4.4232,-0.06141,0.99811,0.00069911,8.4896,0.014147,0.00017007,0.9999,-0.16726

> view matrix models
> #4,0.99089,-0.057526,-0.12175,23.505,0.052269,0.99758,-0.045941,0.63473,0.1241,0.039159,0.9915,-16.875

> ui mousemode right select

> select #3/R:165

5 atoms, 4 bonds, 1 residue, 1 model selected  

> ui mousemode right "translate selected models"

> ui mousemode right "rotate selected models"

> view matrix models
> #3,-0.68111,-0.69314,-0.23589,318.13,-0.59454,0.33554,0.73071,75.013,-0.42734,0.63794,-0.64064,150.08

> view matrix models
> #3,-0.30352,-0.91347,-0.27102,299.3,-0.71182,0.028301,0.70179,128.71,-0.6334,0.40592,-0.65881,205.22

> ui mousemode right "translate selected models"

> view matrix models
> #3,-0.39102,-0.87862,-0.27411,306.7,-0.71384,0.10152,0.69291,121.34,-0.58097,0.46661,-0.66689,192.29

> view matrix models
> #3,-0.39102,-0.87862,-0.27411,308.87,-0.71384,0.10152,0.69291,120.65,-0.58097,0.46661,-0.66689,191.34

> view matrix models
> #3,-0.39102,-0.87862,-0.27411,308.84,-0.71384,0.10152,0.69291,120.75,-0.58097,0.46661,-0.66689,191.24

> view matrix models
> #3,-0.087412,-0.95333,-0.28899,280.39,-0.7309,-0.13574,0.66885,153.03,-0.67686,0.26969,-0.68493,228.24

> view matrix models
> #3,-0.11851,-0.95337,-0.27755,283.19,-0.74734,-0.098397,0.65711,151.97,-0.65378,0.2853,-0.70084,225.1

> view matrix models
> #3,0.036028,-0.94281,-0.33138,267.76,-0.67988,-0.26616,0.68332,160.26,-0.73244,0.20068,-0.65058,239.87

> view matrix models
> #3,-0.1925,-0.92137,-0.33766,295.01,-0.80409,-0.049135,0.59248,160.04,-0.56248,0.38556,-0.7314,204.9

> view matrix models
> #3,0.4473,-0.83501,-0.32044,201.69,-0.80506,-0.53198,0.26244,250.05,-0.38961,0.14058,-0.91019,229.64

> view matrix models
> #3,0.4473,-0.83501,-0.32044,195.3,-0.80506,-0.53198,0.26244,240.47,-0.38961,0.14058,-0.91019,233.16

> view matrix models
> #3,0.4473,-0.83501,-0.32044,188.25,-0.80506,-0.53198,0.26244,230.93,-0.38961,0.14058,-0.91019,235.44

> view matrix models
> #3,0.4473,-0.83501,-0.32044,230.96,-0.80506,-0.53198,0.26244,289.01,-0.38961,0.14058,-0.91019,240.37

> view matrix models
> #3,0.4473,-0.83501,-0.32044,223.38,-0.80506,-0.53198,0.26244,247.86,-0.38961,0.14058,-0.91019,226.42

> view matrix models
> #3,0.4473,-0.83501,-0.32044,223.64,-0.80506,-0.53198,0.26244,249.3,-0.38961,0.14058,-0.91019,226.89

> view matrix models
> #3,-0.24783,-0.89783,-0.36398,323.94,-0.86959,0.040535,0.4921,167.4,-0.42707,0.43847,-0.79079,184.78

> view matrix models
> #3,-0.24783,-0.89783,-0.36398,324.62,-0.86959,0.040535,0.4921,170.77,-0.42707,0.43847,-0.79079,187

> view matrix models
> #3,-0.40052,-0.83909,-0.36812,337.64,-0.82293,0.15273,0.54723,146.13,-0.40295,0.52211,-0.75169,170.2

> view matrix models
> #3,-0.66378,-0.71028,-0.23431,342.53,-0.67755,0.43838,0.59055,89.907,-0.31674,0.55075,-0.77224,157.97

> view matrix models
> #3,-0.66378,-0.71028,-0.23431,325.95,-0.67755,0.43838,0.59055,82.907,-0.31674,0.55075,-0.77224,156.03

> view matrix models
> #3,-0.69074,-0.68633,-0.22769,325.92,-0.66086,0.47135,0.58403,77.601,-0.29352,0.55388,-0.77914,153.41

> view matrix models
> #3,-0.69074,-0.68633,-0.22769,320.83,-0.66086,0.47135,0.58403,79.577,-0.29352,0.55388,-0.77914,157.1

> view matrix models
> #3,-0.69074,-0.68633,-0.22769,320.18,-0.66086,0.47135,0.58403,79.727,-0.29352,0.55388,-0.77914,158.04

> view matrix models
> #3,-0.5367,-0.81372,-0.22319,314.96,-0.66133,0.2414,0.71019,93.745,-0.52401,0.52876,-0.6677,178.97

> fitmap #3 inMap #4

Fit molecule 8HSC_GPR20_Gi_Fab046 (#3) to map emd_34993_8HSC.map (#4) using
10180 atoms  
average map value = 0.02623, steps = 168  
shifted from previous position = 7.8  
rotated from previous position = 5.59 degrees  
atoms outside contour = 9480, contour level = 0.12972  
  
Position of 8HSC_GPR20_Gi_Fab046 (#3) relative to emd_34993_8HSC.map (#4)
coordinates:  
Matrix rotation and translation  
-0.59306195 -0.73885769 -0.31994817 318.13604787  
-0.65777968 0.21544711 0.72173985 93.72466182  
-0.46433113 0.63849185 -0.61377906 156.06749494  
Axis -0.44916764 0.77902358 0.43745935  
Axis point 190.76006571 0.00000000 42.25841955  
Rotation angle (degrees) 174.68281772  
Shift along axis -1.60951241  
  

> view matrix models
> #3,-0.53041,-0.80704,-0.25953,314.83,-0.63319,0.17359,0.75428,94.005,-0.56368,0.56441,-0.60308,178.09

> view matrix models
> #3,-0.53041,-0.80704,-0.25953,317.35,-0.63319,0.17359,0.75428,94.585,-0.56368,0.56441,-0.60308,178.61

> view matrix models
> #3,-0.53041,-0.80704,-0.25953,316.87,-0.63319,0.17359,0.75428,94.921,-0.56368,0.56441,-0.60308,178.46

> view matrix models
> #3,-0.7039,-0.70885,-0.045309,305.71,-0.45936,0.40564,0.79022,42.071,-0.54177,0.57705,-0.61114,175.02

> view matrix models
> #3,-0.71122,-0.66849,-0.21747,319.47,-0.54681,0.33167,0.76877,64.017,-0.44178,0.66567,-0.60142,150.96

> view matrix models
> #3,-0.71122,-0.66849,-0.21747,318.59,-0.54681,0.33167,0.76877,64.359,-0.44178,0.66567,-0.60142,147.55

> view matrix models
> #3,-0.64685,-0.68909,-0.32671,323.92,-0.65073,0.27534,0.70763,90.387,-0.39767,0.67033,-0.62651,143.94

> view matrix models
> #3,-0.64685,-0.68909,-0.32671,322.75,-0.65073,0.27534,0.70763,92.037,-0.39767,0.67033,-0.62651,143.52

> view matrix models
> #3,-0.64685,-0.68909,-0.32671,323.43,-0.65073,0.27534,0.70763,93.307,-0.39767,0.67033,-0.62651,144.23

> view matrix models
> #3,-0.64685,-0.68909,-0.32671,322.99,-0.65073,0.27534,0.70763,92.41,-0.39767,0.67033,-0.62651,143.82

> view matrix models
> #3,-0.8561,-0.51391,-0.054693,301.52,-0.40635,0.60395,0.68566,25.217,-0.31934,0.60922,-0.72586,151.08

> view matrix models
> #3,-0.89985,0.2759,0.33787,175.05,0.41006,0.79917,0.43951,-76.458,-0.14876,0.53404,-0.83227,148.95

> view matrix models
> #3,-0.89985,0.2759,0.33787,173.89,0.41006,0.79917,0.43951,-75.983,-0.14876,0.53404,-0.83227,149.22

> fitmap #3 inMap #4

Fit molecule 8HSC_GPR20_Gi_Fab046 (#3) to map emd_34993_8HSC.map (#4) using
10180 atoms  
average map value = 0.02646, steps = 268  
shifted from previous position = 2.93  
rotated from previous position = 9.59 degrees  
atoms outside contour = 9392, contour level = 0.12972  
  
Position of 8HSC_GPR20_Gi_Fab046 (#3) relative to emd_34993_8HSC.map (#4)
coordinates:  
Matrix rotation and translation  
-0.84257923 0.50989234 0.17340714 152.86231643  
0.53790691 0.78072321 0.31800536 -75.48199611  
0.02676552 0.36122161 -0.93209578 157.19052038  
Axis 0.27805618 0.94350176 0.18024756  
Axis point 90.79673476 0.00000000 82.65077544  
Rotation angle (degrees) 175.54297318  
Shift along axis -0.37987697  
  

> hide #!4 models

> hide #!3 models

> show #!1 models

> show #!5 models

> volume #5 step 2

> volume #5 level 0.1551

> view matrix models
> #3,-0.86911,0.41636,0.26702,157.96,0.49133,0.78889,0.36912,-75.685,-0.056959,0.452,-0.8902,147.3

> view matrix models
> #3,-0.86911,0.41636,0.26702,156.59,0.49133,0.78889,0.36912,-76.483,-0.056959,0.452,-0.8902,140.11

> fitmap #1 inMap #5

Fit molecule 8HS3_GPR20_Gi (#1) to map emd_34984_8HS3.map (#5) using 8258
atoms  
average map value = 0.269, steps = 44  
shifted from previous position = 0.00996  
rotated from previous position = 0.0165 degrees  
atoms outside contour = 3526, contour level = 0.15506  
  
Position of 8HS3_GPR20_Gi (#1) relative to emd_34984_8HS3.map (#5)
coordinates:  
Matrix rotation and translation  
0.99999996 -0.00026805 -0.00008915 0.03509652  
0.00026805 0.99999996 -0.00005430 -0.03064672  
0.00008916 0.00005428 0.99999999 -0.00869959  
Axis 0.18873347 -0.30992483 0.93184027  
Axis point 105.08226922 125.27152504 0.00000000  
Rotation angle (degrees) 0.01648161  
Shift along axis 0.00801544  
  

> view matrix models
> #3,-0.86911,0.41636,0.26702,154.9,0.49133,0.78889,0.36912,-77.884,-0.056959,0.452,-0.8902,134.62

> ui mousemode right translate

> volume #!5 style mesh

> volume #5 color #0029f4

> volume #5 color #0119f0

> volume #5 level 0.1066

> transparency #5.1 50

> volume #!5 style surface

> volume #5 style mesh

> volume #5 level 0.09625

> volume #5 step 4

> volume #5 step 1

> volume #5 level 0.1123

> volume #!5 style surface

> ui mousemode right select

> select #5

2 models selected  

> select clear

> select #1/R:48

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select clear

> select #5

2 models selected  

> select clear

> vop gaussian #5 sdev 2.5

Opened emd_34984_8HS3.map gaussian as #7, grid size 256,256,256, pixel 0.832,
shown at step 1, values float32  

> volume #5 level 0.1324

> volume #!5,7 style surface

> volume #!5,7 style mesh

> surface dust #5 size 8.32

> surface dust #7 size 8.32

> transparency #5 80 All

> close #7

> transparency #5 50 All

> transparency #5 00 All

> transparency #5 0 All

> ui mousemode right translate

> ui mousemode right select

> select #1/R:32

2 atoms, 1 bond, 1 residue, 1 model selected  

> select #1/R:32 #3/R:32

9 atoms, 7 bonds, 2 residues, 2 models selected  

> select #1/R:32-47 #3/R:32-47

203 atoms, 207 bonds, 32 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[165-180] RMSD: 48.751  
  

> color (#!1 & sel) red

> select clear

> select #1/R:48 #3/R:48

11 atoms, 9 bonds, 2 residues, 2 models selected  

> select #1/R:48-50 #3/R:48-50

35 atoms, 35 bonds, 6 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[181-183] RMSD: 52.299  
  

> color (#!1 & sel) red

> select clear

> show #!2 models

> hide #!1 models

> hide #!5 models

> show #!6 models

> select #2/C

1623 atoms, 1658 bonds, 211 residues, 1 model selected  

> show sel cartoons

> select #2/B

1617 atoms, 1658 bonds, 1 pseudobond, 218 residues, 2 models selected  

> show sel cartoons

> select add #2

5456 atoms, 5592 bonds, 1 pseudobond, 716 residues, 2 models selected  

> select subtract #2

Nothing selected  

> select add #2

5456 atoms, 5592 bonds, 1 pseudobond, 716 residues, 2 models selected  

> select clear

> select add #2

5456 atoms, 5592 bonds, 1 pseudobond, 716 residues, 2 models selected  

> ui mousemode right "translate selected models"

> view matrix models
> #2,-0.66094,-0.49694,0.56232,186.68,-0.53308,0.83831,0.11426,60.01,-0.52819,-0.22424,-0.81898,281.82

> view matrix models
> #2,-0.66094,-0.49694,0.56232,188.67,-0.53308,0.83831,0.11426,63.838,-0.52819,-0.22424,-0.81898,283.67

> view matrix models
> #2,-0.66094,-0.49694,0.56232,187.08,-0.53308,0.83831,0.11426,60.411,-0.52819,-0.22424,-0.81898,281.41

> view matrix models
> #2,0.58142,0.79399,0.17756,-75.97,0.80952,-0.54272,-0.22392,103,-0.081428,0.27393,-0.9583,182.82

> view matrix models
> #2,0.99888,0.017769,0.043786,-18.095,0.011651,-0.99061,0.13621,214.8,0.045795,-0.13555,-0.98971,220.37

> view matrix models
> #2,0.99888,0.017769,0.043786,-11.26,0.011651,-0.99061,0.13621,224.28,0.045795,-0.13555,-0.98971,218.73

> view matrix models
> #2,0.93929,-0.1923,0.28416,-2.7799,-0.21633,-0.97475,0.055431,257.09,0.26633,-0.11354,-0.95717,187.01

> view matrix models
> #2,0.9123,-0.21473,0.3487,-3.31,-0.24816,-0.96723,0.053642,260.1,0.32576,-0.13547,-0.9357,180.56

> view matrix models
> #2,0.9123,-0.21473,0.3487,0.33037,-0.24816,-0.96723,0.053642,261.34,0.32576,-0.13547,-0.9357,171.44

> view matrix models
> #2,0.96001,-0.08967,0.2652,-12.058,-0.11979,-0.98778,0.099654,244.21,0.25303,-0.12744,-0.95903,181.31

> view matrix models
> #2,0.67114,0.53376,-0.51446,23.927,0.68612,-0.71002,0.15843,110.46,-0.28071,-0.45932,-0.84275,272.34

> view matrix models
> #2,0.33857,0.69362,-0.63582,55.666,0.8656,-0.49454,-0.078568,86.942,-0.36893,-0.52376,-0.76783,283.02

> view matrix models
> #2,0.92958,-0.13757,0.34198,-10.327,-0.13747,-0.9902,-0.024653,258.89,0.34202,-0.024093,-0.93939,156.48

> view matrix models
> #2,0.90289,-0.2973,0.31049,15.171,-0.23737,-0.94699,-0.21649,284.4,0.35839,0.12177,-0.9256,135.62

> view matrix models
> #2,0.88079,-0.47224,0.034439,66.199,-0.47216,-0.88144,-0.011027,283.66,0.035564,-0.0065484,-0.99935,196.23

> view matrix models
> #2,0.88079,-0.47224,0.034439,65.702,-0.47216,-0.88144,-0.011027,282.33,0.035564,-0.0065484,-0.99935,194.5

> view matrix models
> #2,-0.232,-0.93471,0.26924,228.58,-0.86137,0.068819,-0.5033,262.2,0.45191,-0.34868,-0.82109,169.27

> volume #6 level 0.1472

> view matrix models
> #2,-0.232,-0.93471,0.26924,230.61,-0.86137,0.068819,-0.5033,264.67,0.45191,-0.34868,-0.82109,170.66

> view matrix models
> #2,-0.61583,0.78224,-0.094081,104.69,-0.73807,-0.531,0.41628,231.38,0.27567,0.3258,0.90436,-60.945

> view matrix models
> #2,-0.28546,0.89244,-0.34937,77.985,-0.9426,-0.19553,0.2707,229.35,0.17327,0.40659,0.89703,-57.953

> view matrix models
> #2,0.81389,0.5784,-0.055017,-42.181,-0.53846,0.71531,-0.44542,143.18,-0.21828,0.39214,0.89363,-9.9877

> view matrix models
> #2,0.88366,0.448,-0.13582,-26.635,-0.45407,0.74967,-0.48147,132.72,-0.11388,0.48713,0.86587,-30.918

> view matrix models
> #2,0.70269,0.59329,-0.39273,2.5241,-0.71069,0.55904,-0.42707,180.38,-0.033821,0.57921,0.81448,-46.305

> view matrix models
> #2,0.037685,0.96779,-0.24893,21.08,-0.98724,-0.0025044,-0.15919,253.92,-0.15469,0.25175,0.95535,-6.6367

> view matrix models
> #2,0.90926,-0.40815,0.081629,51.992,0.41603,0.89724,-0.14793,-20.088,-0.012863,0.16847,0.98562,-16.222

> view matrix models
> #2,0.96404,-0.26272,-0.04011,40.111,0.25384,0.95494,-0.15382,-7.4497,0.078716,0.13811,0.98728,-23.461

> view matrix models
> #2,0.98153,-0.17266,-0.082332,31.391,0.1637,0.98086,-0.10541,-4.8074,0.098956,0.089983,0.99102,-20.403

> view matrix models
> #2,0.99543,-0.092709,-0.022941,14.242,0.094586,0.99023,0.10251,-18.439,0.013213,-0.10421,0.99447,12.706

> view matrix models
> #2,0.96165,-0.26987,-0.048961,42.129,0.26131,0.95571,-0.13538,-10.247,0.083326,0.11739,0.98958,-21.732

> view matrix models
> #2,0.94523,-0.32565,0.022176,43.726,0.32352,0.92572,-0.19591,-7.9242,0.04327,0.19236,0.98037,-25.159

> view matrix models
> #2,0.9504,-0.30707,0.049457,38.177,0.31086,0.93262,-0.18324,-8.5281,0.010143,0.18953,0.98182,-21.079

> view matrix models
> #2,0.95795,-0.28453,0.037064,35.805,0.28619,0.93816,-0.19483,-5.1547,0.020663,0.19725,0.98014,-23.076

> view matrix models
> #2,0.95795,-0.28453,0.037064,32.871,0.28619,0.93816,-0.19483,-6.5318,0.020663,0.19725,0.98014,-23.265

> view matrix models
> #2,0.95795,-0.28453,0.037064,32.497,0.28619,0.93816,-0.19483,-5.0674,0.020663,0.19725,0.98014,-24.068

> view matrix models
> #2,0.95754,-0.2075,-0.20015,46.769,0.16855,0.96616,-0.19526,5.3874,0.23389,0.15324,0.96011,-41.77

> view matrix models
> #2,0.95754,-0.2075,-0.20015,46.378,0.16855,0.96616,-0.19526,6.915,0.23389,0.15324,0.96011,-42.527

> view matrix models
> #2,0.95754,-0.2075,-0.20015,50.043,0.16855,0.96616,-0.19526,3.4407,0.23389,0.15324,0.96011,-41.412

> view matrix models
> #2,0.98738,-0.15064,-0.048823,24.698,0.14773,0.98729,-0.058587,-10.209,0.057028,0.050636,0.99709,-11.983

> view matrix models
> #2,0.96931,-0.24388,0.030943,30.148,0.24571,0.96513,-0.090284,-15.881,-0.0078458,0.095117,0.99544,-9.5766

> view matrix models
> #2,0.9797,-0.1996,0.018946,24.783,0.20029,0.97012,-0.13694,-6.5359,0.0089525,0.13795,0.9904,-16.209

> fitmap #2 inMap #6

Fit molecule 8HS2_GPR20_Fab046_inactive (#2) to map emd_34983_8HS2.map (#6)
using 5456 atoms  
average map value = 0.1675, steps = 132  
shifted from previous position = 1.28  
rotated from previous position = 14.1 degrees  
atoms outside contour = 2742, contour level = 0.14718  
  
Position of 8HS2_GPR20_Fab046_inactive (#2) relative to emd_34983_8HS2.map
(#6) coordinates:  
Matrix rotation and translation  
0.99999996 0.00029288 0.00005649 -0.04427819  
-0.00029287 0.99999995 -0.00015927 0.04795484  
-0.00005654 0.00015925 0.99999999 -0.02100094  
Axis 0.47100843 0.16715054 -0.86614765  
Axis point 160.65915521 159.81308670 0.00000000  
Rotation angle (degrees) 0.01937345  
Shift along axis 0.00535019  
  

> transparency #6.1 50

> volume #!6 style mesh

> volume #6 color #c64ee2

> view matrix models
> #2,1,0.00029288,5.6495e-05,-0.02648,-0.00029287,1,-0.00015927,0.051205,-5.6542e-05,0.00015925,1,-0.016536

> view matrix models
> #2,1,0.00029288,5.6495e-05,-0.032278,-0.00029287,1,-0.00015927,0.036181,-5.6542e-05,0.00015925,1,0.01956

> ui mousemode right select

> select clear

[Repeated 1 time(s)]

> ui mousemode right translate

> hide #!2 models

> show #!1 models

> hide #!6 models

> show #!5 models

> hide #!5 models

> show #!4 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!3 models

> select #1/C

438 atoms, 444 bonds, 57 residues, 1 model selected  

> show #!3 cartoons

> select #1/C

438 atoms, 444 bonds, 57 residues, 1 model selected  

> hide #!3 cartoons

> select #3/C

438 atoms, 444 bonds, 57 residues, 1 model selected  

> show sel cartoons

> select #3/B

2590 atoms, 2637 bonds, 338 residues, 1 model selected  

> show sel cartoons

> select #3/A

1712 atoms, 1741 bonds, 2 pseudobonds, 218 residues, 2 models selected  

> show sel cartoons

> select #3/R

2008 atoms, 2057 bonds, 1 pseudobond, 273 residues, 2 models selected  

> show sel cartoons

> select #3/S

1760 atoms, 1806 bonds, 1 pseudobond, 232 residues, 2 models selected  

> show sel cartoons

> ui mousemode right "translate selected models"

> view matrix models
> #3,-0.86911,0.41636,0.26702,155.98,0.49133,0.78889,0.36912,-80.605,-0.056959,0.452,-0.8902,152.29

> view matrix models
> #3,-0.66756,0.22149,0.71085,99.352,0.38154,0.92161,0.071149,-45.825,-0.63937,0.31871,-0.69974,212.86

> view matrix models
> #3,0.54806,0.83275,0.078515,-38.227,-0.8235,0.52075,0.22511,125.94,0.14657,-0.18803,0.97116,-31.727

> view matrix models
> #3,0.64327,0.71665,0.26948,-58.656,-0.75863,0.64412,0.097917,121.17,-0.1034,-0.26742,0.95802,7.736

> view matrix models
> #3,0.64327,0.71665,0.26948,-54.188,-0.75863,0.64412,0.097917,120.75,-0.1034,-0.26742,0.95802,37.301

> view matrix models
> #3,0.89172,-0.010251,0.45248,-16.627,-0.13029,0.95161,0.27833,-14.608,-0.43344,-0.30715,0.84723,95.327

> view matrix models
> #3,0.82502,0.49556,0.27159,-48.362,-0.5611,0.77551,0.28941,56.534,-0.067198,-0.39116,0.91787,53.591

> view matrix models
> #3,0.96478,0.11914,0.23454,-13.248,-0.21008,0.88555,0.41433,-14.52,-0.15833,-0.44901,0.87939,76.455

> view matrix models
> #3,0.81556,0.10096,0.5698,-36.594,-0.22318,0.96336,0.14875,11.541,-0.53391,-0.24848,0.80821,104.88

> view matrix models
> #3,0.60976,0.79249,0.012723,-26.618,-0.73923,0.56284,0.3698,93.574,0.2859,-0.23489,0.92903,-8.8083

> view matrix models
> #3,0.84238,-0.53604,0.055253,105.66,0.52292,0.8379,0.15647,-61.633,-0.13017,-0.10291,0.98614,16.383

> view matrix models
> #3,0.84238,-0.53604,0.055253,93.688,0.52292,0.8379,0.15647,-73.491,-0.13017,-0.10291,0.98614,34.825

> view matrix models
> #3,0.91319,-0.38121,-0.14409,91.777,0.38033,0.9242,-0.034755,-42.825,0.14641,-0.023062,0.98895,-8.0004

> view matrix models
> #3,0.91319,-0.38121,-0.14409,81.07,0.38033,0.9242,-0.034755,-27.667,0.14641,-0.023062,0.98895,-12.814

> view matrix models
> #3,0.98085,-0.12237,-0.15153,41.896,0.12265,0.99242,-0.0074978,-9.3413,0.1513,-0.011231,0.98842,-14.791

> view matrix models
> #3,0.98005,-0.13189,-0.14868,42.807,0.13018,0.99126,-0.021211,-8.3175,0.15018,0.0014318,0.98866,-16.263

> view matrix models
> #3,0.98005,-0.13189,-0.14868,36.695,0.13018,0.99126,-0.021211,-11.96,0.15018,0.0014318,0.98866,-17.284

> view matrix models
> #3,0.97548,-0.19276,-0.10619,39.328,0.19111,0.98123,-0.025622,-17.313,0.10914,0.0046991,0.99402,-13.551

> view matrix models
> #3,0.97548,-0.19276,-0.10619,38.988,0.19111,0.98123,-0.025622,-15.234,0.10914,0.0046991,0.99402,-13.389

> fitmap #3 inMap #4

Fit molecule 8HSC_GPR20_Gi_Fab046 (#3) to map emd_34993_8HSC.map (#4) using
10180 atoms  
average map value = 0.2065, steps = 128  
shifted from previous position = 2.41  
rotated from previous position = 8.13 degrees  
atoms outside contour = 4469, contour level = 0.12972  
  
Position of 8HSC_GPR20_Gi_Fab046 (#3) relative to emd_34993_8HSC.map (#4)
coordinates:  
Matrix rotation and translation  
0.99999999 0.00003315 -0.00001114 0.00119912  
-0.00003315 0.99999999 0.00008964 -0.01294704  
0.00001114 -0.00008964 0.99999999 0.01100475  
Axis -0.93162165 -0.11577308 -0.34449629  
Axis point 0.00000000 109.66127837 148.84780670  
Rotation angle (degrees) 0.00551275  
Shift along axis -0.00340930  
  

> ui mousemode right select

> ui mousemode right translate

> ui mousemode right select

> select clear

> show #!1 models

> show #!2 models

> show #!5 models

> show #!6 models

> ui tool show Matchmaker

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HS2_GPR20_Fab046_inactive, chain
R (#2), sequence alignment score = 1937.2  
RMSD between 209 pruned atom pairs is 1.012 angstroms; (across all 278 pairs:
2.786)  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HSC_GPR20_Gi_Fab046, chain R
(#3), sequence alignment score = 2126.4  
RMSD between 261 pruned atom pairs is 0.809 angstroms; (across all 271 pairs:
1.114)  
  

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HS2_GPR20_Fab046_inactive, chain
R (#2), sequence alignment score = 1937.2  
RMSD between 209 pruned atom pairs is 1.012 angstroms; (across all 278 pairs:
2.786)  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HSC_GPR20_Gi_Fab046, chain R
(#3), sequence alignment score = 2126.4  
RMSD between 261 pruned atom pairs is 0.809 angstroms; (across all 271 pairs:
1.114)  
  

> select clear

[Repeated 2 time(s)]

> ui mousemode right translate

> hide #!2 models

> hide #!3 models

> hide #!4 models

> hide #!6 models

> ui mousemode right select

> select #1/R:32

2 atoms, 1 bond, 1 residue, 1 model selected  

> select #1/R:32-33 #3/R:32-33

19 atoms, 18 bonds, 4 residues, 2 models selected  

> select #1/R:32-54 #3/R:32-54

286 atoms, 294 bonds, 46 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[165-187] RMSD: 1.016  
  

> select #1/R:32-56 #3/R:32-56

308 atoms, 316 bonds, 50 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[165-187] + 1 other block RMSD: 1.000  
  

> color (#!1 & sel) #de9a85ff

> select clear

[Repeated 3 time(s)]

> ui mousemode right translate

> show #!2 models

> show #!6 models

> hide #!5 models

> hide #!1 models

> select add #6

2 models selected  

> ui mousemode right "translate selected models"

> view matrix models #6,1,0,0,-7.5788,0,1,0,-21.126,0,0,1,10.346

> view matrix models #6,1,0,0,-6.7037,0,1,0,-18.716,0,0,1,9.1326

> view matrix models #6,1,0,0,-4.7324,0,1,0,-13.395,0,0,1,6.3349

> view matrix models
> #6,-0.46718,0.86174,0.19788,46.733,0.83372,0.35484,0.42308,-79.394,0.29437,0.36263,-0.88422,122.6

> view matrix models
> #6,-0.46718,0.86174,0.19788,33.776,0.83372,0.35484,0.42308,-88.419,0.29437,0.36263,-0.88422,157.01

> view matrix models
> #6,-0.92366,0.26069,0.28089,150.28,0.35867,0.84619,0.3941,-87.267,-0.13495,0.46476,-0.87509,194.82

> view matrix models
> #6,-0.91473,0.33219,0.23003,146.01,0.40057,0.82022,0.40839,-90.628,-0.053009,0.46571,-0.88335,185.86

> view matrix models
> #6,-0.093186,0.99094,-0.096728,4.5688,0.68576,0.13431,0.71532,-74.932,0.72184,0.00032588,-0.69207,129.45

> view matrix models
> #6,-0.093186,0.99094,-0.096728,2.9774,0.68576,0.13431,0.71532,-69.177,0.72184,0.00032588,-0.69207,135.21

> view matrix models
> #6,-0.57974,0.80882,0.098567,61.982,0.69174,0.42463,0.58412,-90.682,0.43059,0.40682,-0.80566,133.35

> view matrix models
> #6,-0.53845,0.81858,0.19998,45.503,0.71628,0.31962,0.62031,-84.905,0.44385,0.47725,-0.75844,118.59

> view matrix models
> #6,-0.53845,0.81858,0.19998,45.239,0.71628,0.31962,0.62031,-93.444,0.44385,0.47725,-0.75844,116.99

> view matrix models
> #6,-0.53845,0.81858,0.19998,41.776,0.71628,0.31962,0.62031,-94.277,0.44385,0.47725,-0.75844,113.51

> view matrix models
> #6,-0.63642,0.77126,0.011,78.417,0.51175,0.41152,0.75417,-94.706,0.57713,0.4856,-0.65659,86.262

> view matrix models
> #6,-0.63642,0.77126,0.011,83.544,0.51175,0.41152,0.75417,-92.652,0.57713,0.4856,-0.65659,90.441

> view matrix models
> #6,-0.61271,0.79005,-0.020348,81.744,0.49944,0.40703,0.76478,-91.758,0.61249,0.45842,-0.64397,88.168

> view matrix models
> #6,-0.61271,0.79005,-0.020348,81.505,0.49944,0.40703,0.76478,-97.794,0.61249,0.45842,-0.64397,82.105

> view matrix models
> #6,-0.61271,0.79005,-0.020348,81.581,0.49944,0.40703,0.76478,-96.533,0.61249,0.45842,-0.64397,83.763

> view matrix models
> #6,-0.61271,0.79005,-0.020348,81.439,0.49944,0.40703,0.76478,-97.445,0.61249,0.45842,-0.64397,82.956

> view matrix models
> #6,-0.76991,-0.21513,0.6008,154.88,-0.068878,0.96398,0.25691,-43.708,-0.63442,0.15642,-0.75699,277.86

> view matrix models
> #6,-0.90769,-0.086655,0.4106,175.58,0.095072,0.91054,0.40233,-71.769,-0.40874,0.40423,-0.81825,228.17

> view matrix models
> #6,-0.90769,-0.086655,0.4106,179.77,0.095072,0.91054,0.40233,-68.884,-0.40874,0.40423,-0.81825,233.72

> view matrix models
> #6,-0.862,0.26626,0.43135,130.53,0.42367,0.84564,0.32466,-92.112,-0.27832,0.46261,-0.84174,213.8

> view matrix models
> #6,-0.862,0.26626,0.43135,129.93,0.42367,0.84564,0.32466,-93.494,-0.27832,0.46261,-0.84174,216.86

> view matrix models
> #6,-0.862,0.26626,0.43135,125.46,0.42367,0.84564,0.32466,-95.767,-0.27832,0.46261,-0.84174,212.15

> view matrix models
> #6,-0.9278,0.28405,0.24186,150.65,0.33474,0.92007,0.2035,-81.565,-0.16473,0.26977,-0.94873,232.5

> view matrix models
> #6,-0.9278,0.28405,0.24186,157.88,0.33474,0.92007,0.2035,-78.095,-0.16473,0.26977,-0.94873,240.3

> ui mousemode right translate

> ui mousemode right "rotate selected models"

> ui mousemode right "translate selected models"

> view matrix models
> #6,-0.9278,0.28405,0.24186,150.7,0.33474,0.92007,0.2035,-71.058,-0.16473,0.26977,-0.94873,238.81

> view matrix models
> #6,-0.81634,0.56079,0.13821,115.48,0.57751,0.78886,0.21018,-84.976,0.0088387,0.2514,-0.96784,222.41

> view matrix models
> #6,-0.81634,0.56079,0.13821,118.12,0.57751,0.78886,0.21018,-88.409,0.0088387,0.2514,-0.96784,222.87

> view matrix models
> #6,-0.72877,0.68433,0.024424,104.87,0.66878,0.70364,0.24005,-92.216,0.14709,0.19127,-0.97045,213.88

> view matrix models
> #6,-0.90019,-0.046344,0.43302,169.43,0.063082,0.96996,0.23495,-51.468,-0.4309,0.23882,-0.87023,266.36

> view matrix models
> #6,-0.60307,-0.60859,0.51568,192.19,-0.56167,0.78301,0.26724,41.245,-0.56642,-0.12848,-0.81404,320.02

> view matrix models
> #6,-0.60307,-0.60859,0.51568,192.34,-0.56167,0.78301,0.26724,41.792,-0.56642,-0.12848,-0.81404,319.91

> view matrix models
> #6,-0.60307,-0.60859,0.51568,187.97,-0.56167,0.78301,0.26724,41.027,-0.56642,-0.12848,-0.81404,318.56

> view matrix models
> #6,-0.58764,-0.56507,0.57911,174.47,-0.52116,0.81183,0.2633,33.233,-0.61892,-0.14708,-0.77156,322.6

> view matrix models
> #6,-0.585,-0.56083,0.58587,172.96,-0.51905,0.81395,0.2609,32.978,-0.62319,-0.15147,-0.76726,323.18

> view matrix models
> #6,-0.585,-0.56083,0.58587,173.17,-0.51905,0.81395,0.2609,34.93,-0.62319,-0.15147,-0.76726,323.99

> view matrix models
> #6,-0.62592,-0.52364,0.57795,174.44,-0.48265,0.84219,0.24033,29.403,-0.61259,-0.12852,-0.77988,321.33

> view matrix models
> #6,-0.69111,-0.45479,0.56172,175.69,-0.42947,0.88352,0.18694,23.722,-0.58131,-0.11205,-0.80593,318.36

> view matrix models
> #6,-0.65976,-0.48623,0.57297,174.54,-0.42481,0.87026,0.24935,18.312,-0.61988,-0.078893,-0.78072,316.41

> view matrix models
> #6,-0.77557,-0.36253,0.51678,179.41,-0.37089,0.92414,0.091687,21.793,-0.51081,-0.12056,-0.8512,315.68

> fitmap #2 inMap #6

Fit molecule 8HS2_GPR20_Fab046_inactive (#2) to map emd_34983_8HS2.map (#6)
using 5456 atoms  
average map value = 0.1675, steps = 100  
shifted from previous position = 5.08  
rotated from previous position = 11.4 degrees  
atoms outside contour = 2741, contour level = 0.14718  
  
Position of 8HS2_GPR20_Fab046_inactive (#2) relative to emd_34983_8HS2.map
(#6) coordinates:  
Matrix rotation and translation  
0.99999997 0.00023517 -0.00007495 -0.02467320  
-0.00023517 0.99999997 0.00004464 0.02238681  
0.00007496 -0.00004462 1.00000000 -0.01444419  
Axis -0.17792930 -0.29884110 -0.93756875  
Axis point 109.46996506 96.42443602 0.00000000  
Rotation angle (degrees) 0.01437141  
Shift along axis 0.01124241  
  

> ui tool show "Fit in Map"

> fitmap #2 inMap #6

Fit molecule 8HS2_GPR20_Fab046_inactive (#2) to map emd_34983_8HS2.map (#6)
using 5456 atoms  
average map value = 0.1675, steps = 44  
shifted from previous position = 0.0144  
rotated from previous position = 0.0126 degrees  
atoms outside contour = 2742, contour level = 0.14718  
  
Position of 8HS2_GPR20_Fab046_inactive (#2) relative to emd_34983_8HS2.map
(#6) coordinates:  
Matrix rotation and translation  
0.99999998 0.00016427 0.00012151 -0.03276013  
-0.00016428 0.99999998 0.00011396 0.00467381  
-0.00012149 -0.00011398 0.99999999 0.03076738  
Axis -0.48712062 0.51931506 -0.70215766  
Axis point 38.59729398 208.97661225 0.00000000  
Rotation angle (degrees) 0.01340494  
Shift along axis -0.00321824  
  

> ui mousemode right select

> select clear

> show #!1 models

> show #!5 models

> ui tool show Matchmaker

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HS2_GPR20_Fab046_inactive, chain
R (#2), sequence alignment score = 1937.2  
RMSD between 209 pruned atom pairs is 1.012 angstroms; (across all 278 pairs:
2.786)  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HSC_GPR20_Gi_Fab046, chain R
(#3), sequence alignment score = 2126.4  
RMSD between 261 pruned atom pairs is 0.809 angstroms; (across all 271 pairs:
1.114)  
  

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HS2_GPR20_Fab046_inactive, chain
R (#2), sequence alignment score = 1937.2  
RMSD between 209 pruned atom pairs is 1.012 angstroms; (across all 278 pairs:
2.786)  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HSC_GPR20_Gi_Fab046, chain R
(#3), sequence alignment score = 2126.4  
RMSD between 261 pruned atom pairs is 0.809 angstroms; (across all 271 pairs:
1.114)  
  

> hide #!5 models

> show #!5 models

> hide #!5 models

> hide #!1 models

> undo

[Repeated 3 time(s)]

> select clear

> hide #!1 models

> hide #!5 models

> fitmap #2 inMap #6

Fit molecule 8HS2_GPR20_Fab046_inactive (#2) to map emd_34983_8HS2.map (#6)
using 5456 atoms  
average map value = 0.1675, steps = 100  
shifted from previous position = 5.08  
rotated from previous position = 11.4 degrees  
atoms outside contour = 2741, contour level = 0.14718  
  
Position of 8HS2_GPR20_Fab046_inactive (#2) relative to emd_34983_8HS2.map
(#6) coordinates:  
Matrix rotation and translation  
0.99999997 0.00023517 -0.00007495 -0.02467320  
-0.00023517 0.99999997 0.00004464 0.02238681  
0.00007496 -0.00004462 1.00000000 -0.01444419  
Axis -0.17792930 -0.29884110 -0.93756875  
Axis point 109.46996368 96.42443805 0.00000000  
Rotation angle (degrees) 0.01437141  
Shift along axis 0.01124241  
  
Drag select of 7 residues, 6 emd_34983_8HS2.map  

> select clear

> ui mousemode right translate

> volume #5 level 0.1484

> volume #6 level 0.1934

> volume #6 level 0.1195

> hide #!6 models

> show #!1 models

> show #!3 models

> ui tool show Matchmaker

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HS2_GPR20_Fab046_inactive, chain
R (#2), sequence alignment score = 1937.2  
RMSD between 209 pruned atom pairs is 1.012 angstroms; (across all 278 pairs:
2.786)  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HSC_GPR20_Gi_Fab046, chain R
(#3), sequence alignment score = 2126.4  
RMSD between 261 pruned atom pairs is 0.809 angstroms; (across all 271 pairs:
1.114)  
  

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HS2_GPR20_Fab046_inactive, chain
R (#2), sequence alignment score = 1937.2  
RMSD between 209 pruned atom pairs is 1.012 angstroms; (across all 278 pairs:
2.786)  
  
Matchmaker 8HS3_GPR20_Gi, chain R (#1) with 8HSC_GPR20_Gi_Fab046, chain R
(#3), sequence alignment score = 2126.4  
RMSD between 261 pruned atom pairs is 0.809 angstroms; (across all 271 pairs:
1.114)  
  

> select #1/R:32-56 #3/R:32-56

308 atoms, 316 bonds, 50 residues, 2 models selected  

> select #1/R:38 #3/R:38

22 atoms, 22 bonds, 2 residues, 2 models selected  

> select #1/R:38 #3/R:38

22 atoms, 22 bonds, 2 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[171] RMSD: 0.428  
  

> ui mousemode right select

> select add #2/R:38

33 atoms, 33 bonds, 3 residues, 3 models selected  

> select subtract #1/R:38

22 atoms, 22 bonds, 2 residues, 2 models selected  

> select add #1/R:38

33 atoms, 33 bonds, 3 residues, 3 models selected  

> select subtract #3/R:38

22 atoms, 22 bonds, 2 residues, 2 models selected  

> style sel stick

Changed 22 atom styles  

> show sel atoms

> select add #3/R:38

33 atoms, 33 bonds, 3 residues, 3 models selected  

> show sel atoms

> style sel stick

Changed 33 atom styles  

> name frozen F84 sel

> color sel byhetero

[Repeated 1 time(s)]

> select clear

[Repeated 1 time(s)]

> ui mousemode right translate

> select #1/R:130-131 #3/R:130-131

46 atoms, 48 bonds, 4 residues, 2 models selected  

> select #1/R:130 #3/R:130

24 atoms, 24 bonds, 2 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[263] RMSD: 0.875  
  

> ui mousemode right select

> select add #2/R:131

35 atoms, 35 bonds, 3 residues, 3 models selected  

> select subtract #1/R:130

23 atoms, 23 bonds, 2 residues, 2 models selected  

> select add #1/R:130

35 atoms, 35 bonds, 3 residues, 3 models selected  

> select subtract #3/R:130

23 atoms, 23 bonds, 2 residues, 2 models selected  

> show sel atoms

> style sel stick

Changed 23 atom styles  

> select add #3/R:131

34 atoms, 34 bonds, 3 residues, 3 models selected  

> select subtract #3/R:131

23 atoms, 23 bonds, 2 residues, 2 models selected  

> select add #3/R:130

35 atoms, 35 bonds, 3 residues, 3 models selected  

> show sel atoms

> style sel stick

Changed 35 atom styles  

> name frozen Y130 sel

> color sel byhetero

> select subtract #2/R:131

24 atoms, 24 bonds, 2 residues, 2 models selected  

> select add #2/R:131

35 atoms, 35 bonds, 3 residues, 3 models selected  

> select subtract #2/R:131

24 atoms, 24 bonds, 2 residues, 2 models selected  

> select add #2/R:130

36 atoms, 36 bonds, 3 residues, 3 models selected  

> show sel atoms

> name frozen Y130 sel

> color sel byhetero

> select clear

> select #2/R:131

11 atoms, 11 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select clear

> select Y130

36 atoms, 36 bonds, 3 residues, 3 models selected  

> select clear

> select #1/R:134 #3/R:134

16 atoms, 14 bonds, 2 residues, 2 models selected  

> select #1/R:134 #3/R:134

16 atoms, 14 bonds, 2 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[267] RMSD: 1.838  
  

> select add #2/R:134

24 atoms, 21 bonds, 3 residues, 3 models selected  

> show sel atoms

> style sel stick

Changed 24 atom styles  

> name frozen M134 sel

> color sel byhetero

> select clear

[Repeated 1 time(s)]

> select #1/R:257-258 #3/R:257-258

42 atoms, 44 bonds, 4 residues, 2 models selected  

> select #1/R:257-258 #3/R:257-258

42 atoms, 44 bonds, 4 residues, 2 models selected  

> select #1/R:257-258 #3/R:257-258

42 atoms, 44 bonds, 4 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[390-391] RMSD: 0.722  
  

> select #1/R:257-258 #3/R:257-258

42 atoms, 44 bonds, 4 residues, 2 models selected  

> select #1/R:257-258 #3/R:257-258

42 atoms, 44 bonds, 4 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[390-391] RMSD: 0.722  
  

> select #1/R:257 #3/R:257

22 atoms, 22 bonds, 2 residues, 2 models selected  

> select #1/R:257 #3/R:257

22 atoms, 22 bonds, 2 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[390] RMSD: 0.473  
  

> select subtract #1/R:257

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #1/R:257

22 atoms, 22 bonds, 2 residues, 2 models selected  

> select add #2/R:258

32 atoms, 32 bonds, 3 residues, 3 models selected  

> select subtract #2/R:258

22 atoms, 22 bonds, 2 residues, 2 models selected  

> select add #2/R:257

33 atoms, 33 bonds, 3 residues, 3 models selected  

> show sel atoms

> style sel stick

Changed 33 atom styles  

> color sel byhetero

> name frozen F257 sel

> select clear

> select #2/B

1617 atoms, 1658 bonds, 1 pseudobond, 218 residues, 2 models selected  

> hide sel cartoons

> select #2/C

1623 atoms, 1658 bonds, 211 residues, 1 model selected  

> hide sel cartoons

> select #3/C

438 atoms, 444 bonds, 57 residues, 1 model selected  

> hide sel cartoons

> select #3/B

2590 atoms, 2637 bonds, 338 residues, 1 model selected  

> hide sel cartoons

> select #3/A

1712 atoms, 1741 bonds, 2 pseudobonds, 218 residues, 2 models selected  

> hide sel cartoons

> select #3/S

1760 atoms, 1806 bonds, 1 pseudobond, 232 residues, 2 models selected  

> hide sel cartoons

> select #2/R:31

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #1/R:32

2 atoms, 1 bond, 1 residue, 1 model selected  

> select #1/R:32-33 #3/R:32-33

19 atoms, 18 bonds, 4 residues, 2 models selected  

> select #1/R:32-52 #3/R:32-52

256 atoms, 262 bonds, 42 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[165-185] RMSD: 1.047  
  

> select #1/R:32 #3/R:32

9 atoms, 7 bonds, 2 residues, 2 models selected  

> select #1/R:32-49 #3/R:32-49

228 atoms, 233 bonds, 36 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[165-182] RMSD: 1.077  
  

> select subtract #1/R:38@CG

227 atoms, 230 bonds, 36 residues, 2 models selected  

> select subtract #3/R:38

216 atoms, 217 bonds, 35 residues, 2 models selected  

> select subtract #1/R:38@CZ

215 atoms, 215 bonds, 35 residues, 2 models selected  

> select subtract #1/R:38@CE1

214 atoms, 214 bonds, 35 residues, 2 models selected  

> select subtract #1/R:38@CD1

213 atoms, 214 bonds, 35 residues, 2 models selected  

> ui mousemode right zoom

> ui mousemode right translate

> ui mousemode right select

> select subtract #1/R:38@CD2

212 atoms, 212 bonds, 35 residues, 2 models selected  

> select subtract #1/R:38@CE2

211 atoms, 212 bonds, 35 residues, 2 models selected  

> select subtract #1/R:38@CB

210 atoms, 212 bonds, 35 residues, 2 models selected  

> select clear

> select sequence VPLFHLFARLDEELHGFT

Nothing selected  

> select sequence VPLFHLFARLDEELHGFT

Nothing selected  

> select sequence VPLFHLFARLDEELHGFT

Nothing selected  

> select sequence VPLFHLFARLDEELHGFT

Nothing selected  

> select sequence VPLFHLFARLDEELHGFT

Nothing selected  

> select #1/R:32 #3/R:32

9 atoms, 7 bonds, 2 residues, 2 models selected  

> select #1/R:32-49 #3/R:32-49

228 atoms, 233 bonds, 36 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[165-182] RMSD: 1.077  
  

> select clear

> select #1/R:32 #3/R:32

9 atoms, 7 bonds, 2 residues, 2 models selected  

> select #1/R:32-49 #3/R:32-49

228 atoms, 233 bonds, 36 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[165-182] RMSD: 1.077  
  

> select clear

> ui tool show "Show Sequence Viewer"

> sequence chain #1/R #3/R

Alignment identifier is 1  

> select #1/R:32 #3/R:32

9 atoms, 7 bonds, 2 residues, 2 models selected  

> select #1/R:32-49 #3/R:32-49

228 atoms, 233 bonds, 36 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[165-182] RMSD: 1.077  
  

> select clear

> transparency #1 #2 #3 70 ribbons

> select #1/R:32 #3/R:32

9 atoms, 7 bonds, 2 residues, 2 models selected  

> select #1/R:32-49 #3/R:32-49

228 atoms, 233 bonds, 36 residues, 2 models selected  
Soluble Cytochrome b562,G-protein Coupled Receptor 20 [ID: 1] region 2 chains
[165-182] RMSD: 1.077  
  

> transparency sel 0 ribbons

> ui tool show "Show Sequence Viewer"

> sequence chain #2/R

Alignment identifier is 2/R  

> select #2/R:32

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/R:32-49

152 atoms, 157 bonds, 18 residues, 1 model selected  

> transparency sel 0 ribbons

> select clear

> select F257

33 atoms, 33 bonds, 3 residues, 3 models selected  

> transparency sel 0 ribbons

> select F84

33 atoms, 33 bonds, 3 residues, 3 models selected  

> transparency sel 0 ribbons

> select M134

24 atoms, 21 bonds, 3 residues, 3 models selected  

> transparency sel 0 ribbons

> select Y130

36 atoms, 36 bonds, 3 residues, 3 models selected  

> transparency sel 0 ribbons

> ui mousemode right translate

> ui mousemode right select

> select clear

> ui mousemode right translate

> save "/Users/dongju/Desktop/Research projects-
> Monash/NRE/Figure2_DL/Fig3A_overlay with N-cap.cxs"

> save "/Users/dongju/Desktop/Research projects-
> Monash/NRE/Figure2_DL/Fig3A_overlay with N-cap.png" width 3000 height 2253
> supersample 3

> ui mousemode right select

> select #2/R:278

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select add #2/R:277

14 atoms, 12 bonds, 2 residues, 1 model selected  

> select add #1/R:278

19 atoms, 16 bonds, 3 residues, 2 models selected  

> select add #1/R:280

29 atoms, 26 bonds, 4 residues, 2 models selected  

> select add #1/R:279

41 atoms, 38 bonds, 5 residues, 2 models selected  

> select add #1/R:282

46 atoms, 42 bonds, 6 residues, 2 models selected  

> select add #2/R:282

51 atoms, 46 bonds, 7 residues, 2 models selected  

> select add #1/R:281

56 atoms, 50 bonds, 8 residues, 2 models selected  

> select add #2/R:281

63 atoms, 56 bonds, 9 residues, 2 models selected  

> select add #1/R:257

74 atoms, 67 bonds, 10 residues, 2 models selected  

> select add #1/R:255

81 atoms, 73 bonds, 11 residues, 2 models selected  

> select add #1/R:256

88 atoms, 80 bonds, 12 residues, 2 models selected  

> select add #2/R:256

95 atoms, 87 bonds, 13 residues, 2 models selected  

> transparency sel 80 ribbons

> select #2/R:257

11 atoms, 11 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:256

7 atoms, 7 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:256

7 atoms, 7 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:278

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:278

5 atoms, 4 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:279

12 atoms, 12 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:280

10 atoms, 10 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:281

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:281

5 atoms, 4 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:282

5 atoms, 4 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:281

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #3/R:283

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:284

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:283

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:256

7 atoms, 7 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:256

7 atoms, 7 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:255

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:255

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:257

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/R:257

11 atoms, 11 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:284

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #2/R:285

8 atoms, 7 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #1/R:285

8 atoms, 7 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #3/R:284

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> select #3/R:285

8 atoms, 7 bonds, 1 residue, 1 model selected  

> transparency sel 80 ribbons

> save "/Users/dongju/Desktop/Research projects-
> Monash/NRE/Figure2_DL/Fig3A_overlay focus on sites.png" width 2000 height
> 1502 supersample 3 transparentBackground true

> hide #!1 models

> hide #!3 models

> show #!6 models

> fitmap #2 inMap #6

Fit molecule 8HS2_GPR20_Fab046_inactive (#2) to map emd_34983_8HS2.map (#6)
using 5456 atoms  
average map value = 0.1675, steps = 100  
shifted from previous position = 5.08  
rotated from previous position = 11.4 degrees  
atoms outside contour = 2107, contour level = 0.11947  
  
Position of 8HS2_GPR20_Fab046_inactive (#2) relative to emd_34983_8HS2.map
(#6) coordinates:  
Matrix rotation and translation  
0.99999997 0.00023103 -0.00007011 -0.02470953  
-0.00023103 0.99999997 0.00004231 0.02222854  
0.00007012 -0.00004230 1.00000000 -0.01412533  
Axis -0.17258750 -0.28605508 -0.94254233  
Axis point 110.09560083 98.58536558 0.00000000  
Rotation angle (degrees) 0.01404400  
Shift along axis 0.01121969  
  

> volume #!6 showOutlineBox true

> transparency #6.1 50

> volume #!6 style surface

> transparency #6.1 0

> transparency #6.1 50

> ui tool show "Volume Viewer"

> volume #6 level 0.09308

Drag select of 4 residues, 6 emd_34983_8HS2.map  

> select clear

> ui mousemode right translate

> transparency #2 0 ribbons

> ui mousemode right select

> select #6

2 models selected  

> select #6

2 models selected  

> select #6

2 models selected  

> select #6

2 models selected  

> select #6

2 models selected  

> select #6

2 models selected  

> ui mousemode right "map eraser"

> ui mousemode right translate

> ui mousemode right zone

> ui mousemode right select

> select clear

> ui mousemode right zone

> surface dust #6 size 8.32

> color zone #6 near #2 distance 4.99

> transparency #6.1 0

> transparency #6.1 50

> color zone #6 near #2 distance 4.99

> volume #!6 style mesh

> volume #!6 style surface

> transparency #6.1 0

> transparency #6.1 50

> ui tool show "Show Volume Menu"

> ui tool show "Map Eraser"

> volume erase #6 center 124.57,110.05,133.7 radius 6.5895

Opened emd_34983_8HS2.map copy as #8, grid size 288,288,288, pixel 0.832,
shown at step 1, values float32  

> volume erase #8 center 120.56,104.96,144.21 radius 6.5894

> volume erase #8 center 117.1,104.97,149.62 radius 6.5894

> volume erase #8 center 120.05,95.441,152.15 radius 6.5894

> volume erase #8 center 109.24,96.945,141.85 radius 8.3866 outside true

> volume erase #8 center 118.04,103.24,141.03 radius 8.3866

> volume erase #8 center 111.63,95.96,140.03 radius 7.3083 outside true

> ui mousemode right translate

> ui mousemode right "map eraser"

> volume erase #8 center 115.66,94.691,144.82 radius 3.2348

> volume erase #8 center 113.16,95.458,147.38 radius 3.2348

> volume erase #8 center 112.7,100.2,146.3 radius 3.2348

> volume erase #8 center 110.12,98.585,145.4 radius 3.2348

> volume erase #8 center 105.8,98.357,144.04 radius 3.2348

> volume erase #8 center 105.85,99.35,141.39 radius 3.2348

> volume erase #8 center 114.67,98.698,141.82 radius 3.2348

> volume erase #8 center 113.72,98.218,138.99 radius 3.2348

> volume erase #8 center 116.45,94.204,139.61 radius 3.2348

> ui mousemode right translate

> ui mousemode right "map eraser"

> volume erase #8 center 108.61,87.652,142 radius 3.2348

> volume erase #8 center 102.85,92.868,142.98 radius 3.2348

> volume erase #8 center 103.11,93.869,142.87 radius 3.2348

> volume erase #8 center 102.9,94.021,139.02 radius 3.2348

> ui mousemode right translate

> ui mousemode right "map eraser"

> volume erase #8 center 103.68,93.71,140.23 radius 3.2348

> undo

[Repeated 2 time(s)]

> volume erase #8 center 106.2,89.507,139.97 radius 3.2348

> volume erase #8 center 109.44,100.3,138.17 radius 3.2348

> volume erase #8 center 107.5,101.57,137.78 radius 3.2348

> ui mousemode right translate

> ui mousemode right "map eraser"

> volume erase #8 center 108.5,101.66,141.97 radius 3.2348

> ui mousemode right select

> ui mousemode right rotate

> ui mousemode right translate

> select add #8

4 models selected  

> volume sel & #!8 style mesh

> volume sel & #!8 style surface

> volume sel & #!8 style image

> volume sel & #!8 style mesh

> volume #8 color #c64ee2

> volume #8 color #c64ee200

> volume #8 color #d736f5

> volume #8 step 2

> volume #8 step 1

> ui mousemode right select

> select clear

> transparency #2 70 ribbons

> volume #8 level 0.06783

> ui mousemode right "map eraser"

> volume erase #8 center 112.61,89.834,142.12 radius 1.8827

> ui mousemode right select

> ui mousemode right translate

> ui mousemode right "map eraser"

> preset "overall look" "publication 2 (depth-cued)"

Using preset: Overall Look / Publication 2 (Depth-Cued)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes f
    lighting depthCue t

  

> select add #2

5456 atoms, 5592 bonds, 1 pseudobond, 716 residues, 2 models selected  

> preset "overall look" "publication 1 (silhouettes)"

Using preset: Overall Look / Publication 1 (Silhouettes)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes t
    lighting depthCue f

  

> ui mousemode right select

> select clear

[Repeated 1 time(s)]

> ui mousemode right translate

> save "/Users/dongju/Desktop/Research projects-
> Monash/NRE/Figure2_DL/Fig3B_inactive GPR20 with the map.cxs"

——— End of log from Wed Feb 28 18:29:12 2024 ———

opened ChimeraX session  

> volume #!8 showOutlineBox false

> hide #!8 models

> save "/Users/dongju/Desktop/Research projects-Monash/NRE/All Figures-
> draft/Figure 7C-GPR20 inactive-no G protein.cxs"

> select add #2

5456 atoms, 5592 bonds, 1 pseudobond, 716 residues, 2 models selected  

> show sel cartoons

> ui mousemode right select

> select clear

> select #2/C

1623 atoms, 1658 bonds, 211 residues, 1 model selected  

> color sel #d3b5eaff

> color sel #d4b6eaff

> color sel #d7b9eaff

> color sel #d8baebff

> color sel #dbbdebff

> color sel #dcbdebff

> color sel #ddc0ecff

[Repeated 1 time(s)]

> color sel #dcc1ecff

> color sel #dcc1edff

> color sel #dcc3edff

> color sel #ddc3edff

[Repeated 1 time(s)]

> color sel #dcc3edff

[Repeated 1 time(s)]

> color sel #dcc4edff

> color sel #ddc6edff

> color sel #dcc8eeff

[Repeated 1 time(s)]

> color sel #dbc8eeff

[Repeated 2 time(s)]

> color sel #dac8eeff

[Repeated 2 time(s)]

> color sel #d9c8eeff

> color sel #d9caefff

[Repeated 1 time(s)]

> color sel #d8caefff

> color sel #d7caefff

> color sel #d7cbefff

> color sel #d7caefff

> color sel #d5caefff

[Repeated 1 time(s)]

> color sel #d4c9eeff

> color sel #d3c8edff

> color sel #d2c8edff

> color sel #d1c7edff

> color sel #d0c6edff

[Repeated 1 time(s)]

> color sel #cfc4ecff

> color sel #c9beebff

> color sel #c7baebff

> color sel #c3b5e9ff

> color sel #c1b2e9ff

> color sel #c0b1e9ff

> color sel #bfafe8ff

> color sel #b5a2e6ff

> color sel #b09ce5ff

> color sel #ae9be5ff

> color sel #ab98e4ff

> color sel #a696e4ff

> color sel #a496e4ff

> color sel #a093e4ff

> color sel #9e93e4ff

> color sel #9d93e4ff

> color sel #9e93e3ff

[Repeated 2 time(s)]

> color sel #9d93e3ff

[Repeated 1 time(s)]

> color sel #9e94e4ff

> color sel #aaa1e5ff

> color sel #bab3e9ff

> color sel #c3bdebff

> color sel #c4beebff

> color sel #c4beecff

> color sel #c4bfecff

> color sel #c6c1ecff

> color sel #cbc7edff

> color sel #d1ccefff

> color sel #d1cdefff

[Repeated 1 time(s)]

> color sel #d2cef0ff

> color sel #d3d0f0ff

> color sel #d6d4f0ff

> color sel #dedcf2ff

> color sel #e4e2f5ff

> color sel #e5e4f6ff

> color sel #ecebf7ff

[Repeated 3 time(s)]

> color sel #ebe8f6ff

> color sel #e6e3f5ff

> color sel #ded6f1ff

> color sel #d8cdefff

> color sel #c5afe8ff

> color sel #bca2e6ff

> color sel #b292e4ff

> color sel #af8de3ff

> color sel #af8ce3ff

> color sel #af8de3ff

> color sel #b18de3ff

> color sel #b58ee3ff

> color sel #bf8de3ff

> color sel #c68ee4ff

> color sel #d391e4ff

> color sel #d993e4ff

> color sel #dc94e5ff

> color sel #dd95e4ff

> color sel #dd95e3ff

> color sel #dd94e3ff

> color sel #dd95e1ff

> color sel #de98dfff

> color sel #df9de0ff

> color sel #e1a7e2ff

> color sel #e5b6e5ff

> color sel #e8bee7ff

> color sel #e9c3e7ff

> color sel #e9c4e8ff

> color sel #eac5e9ff

> color sel #eed4ecff

> color sel #efd8edff

> color sel #f0d9eeff

> color sel #f0daeeff

> color sel #f0daedff

[Repeated 2 time(s)]

> color sel #efd8ecff

> color sel #eac6e4ff

> color sel #e8c1e3ff

> color sel #e8c0e3ff

[Repeated 1 time(s)]

> color sel #e7bde2ff

> color sel #e6b9e0ff

> color sel #e5b7e0ff

> color sel #e5b2deff

> color sel #e3aedcff

> color sel #e3addcff

[Repeated 5 time(s)]

> color sel #e3addaff

[Repeated 2 time(s)]

> color sel #e3add9ff

[Repeated 1 time(s)]

> color sel #e3aedaff

> color sel #e4b0daff

> color sel #e5b3dbff

> color sel #e5b3dcff

> color sel #e5b4dbff

> color sel #e6b8ddff

> color sel #e8c1dfff

> color sel #e8c2e0ff

[Repeated 1 time(s)]

> color sel #e9c2e0ff

> color sel #e8c2e0ff

> color sel #e8c2dfff

> color sel #e9c3e0ff

[Repeated 2 time(s)]

> select #2/B

1617 atoms, 1658 bonds, 1 pseudobond, 218 residues, 2 models selected  

> color (#!2 & sel) #3e6122ff

> color (#!2 & sel) #3e6323ff

> color (#!2 & sel) #406924ff

> color (#!2 & sel) #406c25ff

> color (#!2 & sel) #416f26ff

> color (#!2 & sel) #437126ff

> color (#!2 & sel) #447327ff

> color (#!2 & sel) #467a2aff

> color (#!2 & sel) #477c2aff

[Repeated 2 time(s)]

> color (#!2 & sel) #487b2aff

> color (#!2 & sel) #497b2aff

> color (#!2 & sel) #4b7829ff

> color (#!2 & sel) #4b7528ff

> color (#!2 & sel) #4c7428ff

> color (#!2 & sel) #4c7327ff

> color (#!2 & sel) #4c7227ff

[Repeated 1 time(s)]

> color (#!2 & sel) #4d6f27ff

> color (#!2 & sel) #4f6d26ff

> color (#!2 & sel) #516d26ff

> color (#!2 & sel) #536d26ff

> color (#!2 & sel) #556e27ff

> color (#!2 & sel) #566d26ff

> color (#!2 & sel) #5a6d27ff

> color (#!2 & sel) #5b6c27ff

> color (#!2 & sel) #5e6d27ff

[Repeated 1 time(s)]

> color (#!2 & sel) #5f6d27ff

> color (#!2 & sel) #616f27ff

> color (#!2 & sel) #626f28ff

> color (#!2 & sel) #68762aff

> color (#!2 & sel) #74832eff

> color (#!2 & sel) #7d8b31ff

> color (#!2 & sel) #808f32ff

> color (#!2 & sel) #899835ff

> color (#!2 & sel) #8e9e36ff

> color (#!2 & sel) #93a438ff

> color (#!2 & sel) #97a93aff

> color (#!2 & sel) #99ac3aff

> color (#!2 & sel) #9ab13cff

> color (#!2 & sel) #9db63dff

> color (#!2 & sel) #a0ba3eff

> color (#!2 & sel) #a1bc3fff

> color (#!2 & sel) #a7c542ff

> color (#!2 & sel) #a7c842ff

> color (#!2 & sel) #a8ca43ff

> color (#!2 & sel) #a8cb43ff

[Repeated 1 time(s)]

> color (#!2 & sel) #a6ca43ff

> color (#!2 & sel) #a5c942ff

> color (#!2 & sel) #a1c842ff

> color (#!2 & sel) #9ec541ff

> color (#!2 & sel) #96be3fff

> color (#!2 & sel) #92b83dff

> color (#!2 & sel) #8baf3bff

> color (#!2 & sel) #86ab39ff

> color (#!2 & sel) #83a738ff

> color (#!2 & sel) #79a036ff

> color (#!2 & sel) #729934ff

> color (#!2 & sel) #709733ff

> color (#!2 & sel) #6e9633ff

> color (#!2 & sel) #6d9532ff

> color (#!2 & sel) #6b9332ff

> color (#!2 & sel) #699231ff

> color (#!2 & sel) #659131ff

> color (#!2 & sel) #618d30ff

> color (#!2 & sel) #5f8c30ff

[Repeated 1 time(s)]

> color (#!2 & sel) #5f8d30ff

> color (#!2 & sel) #5e8d30ff

> color (#!2 & sel) #5d8f30ff

> color (#!2 & sel) #5c9231ff

> color (#!2 & sel) #5c9331ff

> color (#!2 & sel) #5d9732ff

> color (#!2 & sel) #5c9732ff

> color (#!2 & sel) #5d9833ff

> color (#!2 & sel) #5d9c34ff

> color (#!2 & sel) #5fa035ff

> color (#!2 & sel) #61a336ff

> color (#!2 & sel) #62a737ff

> color (#!2 & sel) #62a837ff

> color (#!2 & sel) #62a937ff

> color (#!2 & sel) #62aa38ff

> color (#!2 & sel) #63ac38ff

> color (#!2 & sel) #63af39ff

> color (#!2 & sel) #66b53aff

> color (#!2 & sel) #68bb3cff

> color (#!2 & sel) #6ac03eff

> color (#!2 & sel) #6bc13eff

> color (#!2 & sel) #6cc23eff

> color (#!2 & sel) #6ac43eff

> color (#!2 & sel) #6cc840ff

> color (#!2 & sel) #6ecc41ff

> color (#!2 & sel) #6fd042ff

> color (#!2 & sel) #70d242ff

[Repeated 1 time(s)]

> color (#!2 & sel) #6fd242ff

[Repeated 1 time(s)]

> color (#!2 & sel) #6cd041ff

> color (#!2 & sel) #67c840ff

> color (#!2 & sel) #64c33eff

> color (#!2 & sel) #5eb73bff

> color (#!2 & sel) #5db53aff

[Repeated 2 time(s)]

> color (#!2 & sel) #5ab139ff

> color (#!2 & sel) #58af39ff

> color (#!2 & sel) #55ab37ff

> color (#!2 & sel) #50a536ff

> color (#!2 & sel) #4da235ff

> color (#!2 & sel) #489832ff

> color (#!2 & sel) #459030ff

> color (#!2 & sel) #42892eff

> color (#!2 & sel) #3d7e2bff

> color (#!2 & sel) #3c7c2aff

> color (#!2 & sel) #3a7929ff

> color (#!2 & sel) #397628ff

> color (#!2 & sel) #387528ff

> color (#!2 & sel) #397528ff

> color (#!2 & sel) #377227ff

> color (#!2 & sel) #377127ff

[Repeated 1 time(s)]

> color (#!2 & sel) #367026ff

> color (#!2 & sel) #356c25ff

> color (#!2 & sel) #377127ff

> color (#!2 & sel) #3c7c2bff

> color (#!2 & sel) #3e822eff

> color (#!2 & sel) #3f822eff

> color (#!2 & sel) #3f842eff

> color (#!2 & sel) #438c30ff

> color (#!2 & sel) #469333ff

[Repeated 2 time(s)]

> color (#!2 & sel) #479534ff

> color (#!2 & sel) #4a9b35ff

> color (#!2 & sel) #4c9f37ff

> color (#!2 & sel) #4ea338ff

> color (#!2 & sel) #50a839ff

> color (#!2 & sel) #52ad3bff

> color (#!2 & sel) #57b83eff

> color (#!2 & sel) #57b93eff

> color (#!2 & sel) #58b93eff

> color (#!2 & sel) #5bc140ff

> color (#!2 & sel) #60cb43ff

> color (#!2 & sel) #61ce44ff

> color (#!2 & sel) #62d044ff

> color (#!2 & sel) #63d345ff

> color (#!2 & sel) #64d446ff

> color (#!2 & sel) #64d546ff

[Repeated 1 time(s)]

> color (#!2 & sel) #65d646ff

> color (#!2 & sel) #65d746ff

> color (#!2 & sel) #66d847ff

> color (#!2 & sel) #66d945ff

> color (#!2 & sel) #67db45ff

> color (#!2 & sel) #69df46ff

> color (#!2 & sel) #69e046ff

> color (#!2 & sel) #6ae146ff

> color (#!2 & sel) #6ae346ff

> color (#!2 & sel) #6ce447ff

[Repeated 3 time(s)]

> color (#!2 & sel) #6de447ff

> color (#!2 & sel) #6ee547ff

> color (#!2 & sel) #6ee447ff

> color (#!2 & sel) #6fe347ff

> color (#!2 & sel) #71e246ff

> color (#!2 & sel) #71e146ff

> color (#!2 & sel) #73e146ff

[Repeated 1 time(s)]

> color (#!2 & sel) #73e046ff

[Repeated 1 time(s)]

> color (#!2 & sel) #73df45ff

> color (#!2 & sel) #74de45ff

> color (#!2 & sel) #75df46ff

> color (#!2 & sel) #74dd45ff

> color (#!2 & sel) #74db45ff

> color (#!2 & sel) #74da44ff

> color (#!2 & sel) #74d844ff

> color (#!2 & sel) #74d543ff

> color (#!2 & sel) #73d342ff

> color (#!2 & sel) #73d242ff

> color (#!2 & sel) #72d042ff

> color (#!2 & sel) #6ecd41ff

> color (#!2 & sel) #6dcb40ff

> color (#!2 & sel) #69c83fff

> color (#!2 & sel) #68c63fff

> color (#!2 & sel) #67c53eff

> color (#!2 & sel) #66c33eff

> color (#!2 & sel) #64c33eff

> color (#!2 & sel) #61c03dff

> color (#!2 & sel) #5fbf3dff

> color (#!2 & sel) #5fbe3dff

> color (#!2 & sel) #5dbd3cff

> color (#!2 & sel) #5cbd3cff

[Repeated 1 time(s)]

> color (#!2 & sel) #5cbc3cff

[Repeated 3 time(s)]

> color (#!2 & sel) #5bbb3cff

[Repeated 1 time(s)]

> color (#!2 & sel) #5abb3cff

[Repeated 2 time(s)]

> color (#!2 & sel) #59bb3cff

[Repeated 8 time(s)]

> color (#!2 & sel) #58bb3cff

> color (#!2 & sel) #59bb3cff

> color (#!2 & sel) #58bb3cff

> color (#!2 & sel) #59bb3dff

[Repeated 1 time(s)]

> color (#!2 & sel) #59bc3eff

[Repeated 6 time(s)]

> color (#!2 & sel) #59bd3fff

[Repeated 2 time(s)]

> color (#!2 & sel) #59bd40ff

[Repeated 1 time(s)]

> color (#!2 & sel) #5abe40ff

[Repeated 1 time(s)]

> color (#!2 & sel) #5bc041ff

> color (#!2 & sel) #5cc342ff

[Repeated 1 time(s)]

> color (#!2 & sel) #5dc444ff

> color (#!2 & sel) #5ec745ff

> color (#!2 & sel) #5fc945ff

> color (#!2 & sel) #5fca46ff

> color (#!2 & sel) #60cb46ff

> color (#!2 & sel) #5dc645ff

> color (#!2 & sel) #5bbf42ff

> color (#!2 & sel) #59bc42ff

[Repeated 3 time(s)]

> color (#!2 & sel) #58bb41ff

> color (#!2 & sel) #56b540ff

> color (#!2 & sel) #55b440ff

> color (#!2 & sel) #55b33fff

[Repeated 2 time(s)]

> color (#!2 & sel) #53af3eff

> color (#!2 & sel) #52ae3eff

> color (#!2 & sel) #53ae40ff

> color (#!2 & sel) #52ae40ff

> color (#!2 & sel) #53ae41ff

> color (#!2 & sel) #54b143ff

> color (#!2 & sel) #54b245ff

[Repeated 1 time(s)]

> color (#!2 & sel) #55b345ff

> color (#!2 & sel) #56b646ff

> color (#!2 & sel) #58b949ff

> color (#!2 & sel) #59bc4bff

> color (#!2 & sel) #59bd4cff

> color (#!2 & sel) #5abf4cff

> color (#!2 & sel) #5bc14dff

> color (#!2 & sel) #5dc44fff

> color (#!2 & sel) #5ec852ff

> color (#!2 & sel) #5fc953ff

[Repeated 2 time(s)]

> color (#!2 & sel) #5fca53ff

[Repeated 2 time(s)]

> color (#!2 & sel) #5fc953ff

> color (#!2 & sel) #5bc151ff

> color (#!2 & sel) #5abf50ff

> color (#!2 & sel) #59bd4fff

[Repeated 1 time(s)]

> color (#!2 & sel) #58bb4fff

> color (#!2 & sel) #57b74bff

> color (#!2 & sel) #54b246ff

> color (#!2 & sel) #54b245ff

> color (#!2 & sel) #53b041ff

> color (#!2 & sel) #53af41ff

[Repeated 2 time(s)]

> color (#!2 & sel) #53af40ff

> color (#!2 & sel) #51ab3aff

> color (#!2 & sel) #4fa636ff

> color (#!2 & sel) #4e9f34ff

> color (#!2 & sel) #4b9932ff

> color (#!2 & sel) #3f7929ff

[Repeated 1 time(s)]

> color (#!2 & sel) #3e7829ff

> color (#!2 & sel) #3d7628ff

> color (#!2 & sel) #396e25ff

> color (#!2 & sel) #315e21ff

> color (#!2 & sel) #2f5a1fff

> color (#!2 & sel) #2b531dff

> color (#!2 & sel) #294d1bff

> color (#!2 & sel) #27491aff

> color (#!2 & sel) #28481aff

> color (#!2 & sel) #284719ff

> color (#!2 & sel) #294619ff

> color (#!2 & sel) #2a4619ff

[Repeated 1 time(s)]

> color (#!2 & sel) #2b4519ff

> color (#!2 & sel) #2c4519ff

> color (#!2 & sel) #2e471aff

> color (#!2 & sel) #30491aff

> color (#!2 & sel) #334b1bff

> color (#!2 & sel) #37511dff

> color (#!2 & sel) #3c561fff

> color (#!2 & sel) #3e5920ff

> color (#!2 & sel) #445f22ff

> color (#!2 & sel) #466122ff

> color (#!2 & sel) #476223ff

> color (#!2 & sel) #4b6825ff

> color (#!2 & sel) #517027ff

> color (#!2 & sel) #547629ff

> color (#!2 & sel) #557a2aff

> color (#!2 & sel) #577c2bff

> color (#!2 & sel) #577e2bff

> color (#!2 & sel) #5a812cff

> color (#!2 & sel) #5c852dff

> color (#!2 & sel) #5e882eff

> color (#!2 & sel) #5f8b2fff

> color (#!2 & sel) #639231ff

[Repeated 1 time(s)]

> color (#!2 & sel) #639331ff

[Repeated 1 time(s)]

> color (#!2 & sel) #659733ff

> color (#!2 & sel) #669933ff

> color (#!2 & sel) #679b34ff

[Repeated 2 time(s)]

> color (#!2 & sel) #679933ff

> color (#!2 & sel) #6b9933ff

> color (#!2 & sel) #6b9a33ff

> color (#!2 & sel) #6c9933ff

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> color (#!2 & sel) #709934ff

> color (#!2 & sel) #729934ff

> color (#!2 & sel) #739934ff

> color (#!2 & sel) #739834ff

> color (#!2 & sel) #729834ff

> color (#!2 & sel) #749834ff

> color (#!2 & sel) #759834ff

> color (#!2 & sel) #779834ff

> color (#!2 & sel) #789834ff

[Repeated 1 time(s)]

> color (#!2 & sel) #7a9834ff

[Repeated 1 time(s)]

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[Repeated 2 time(s)]

> color (#!2 & sel) #7c9734ff

> color (#!2 & sel) #7c9834ff

[Repeated 1 time(s)]

> color (#!2 & sel) #7f9834ff

[Repeated 1 time(s)]

> color (#!2 & sel) #809734ff

> color (#!2 & sel) #829534ff

> color (#!2 & sel) #839634ff

> color (#!2 & sel) #829533ff

[Repeated 1 time(s)]

> color (#!2 & sel) #829534ff

> color (#!2 & sel) #839534ff

> color (#!2 & sel) #829533ff

> color (#!2 & sel) #839534ff

[Repeated 4 time(s)]

> color (#!2 & sel) #839634ff

[Repeated 1 time(s)]

> color (#!2 & sel) #839734ff

> color (#!2 & sel) #819533ff

> color (#!2 & sel) #798b30ff

> color (#!2 & sel) #778930ff

> color (#!2 & sel) #74882fff

> color (#!2 & sel) #71862fff

> color (#!2 & sel) #6e852eff

> color (#!2 & sel) #6d852eff

> color (#!2 & sel) #69842eff

> color (#!2 & sel) #68842eff

> color (#!2 & sel) #68832dff

> color (#!2 & sel) #66832dff

[Repeated 1 time(s)]

> color (#!2 & sel) #65832dff

> color (#!2 & sel) #63832dff

> color (#!2 & sel) #60822cff

[Repeated 2 time(s)]

> color (#!2 & sel) #5e822cff

> color (#!2 & sel) #5c822cff

[Repeated 2 time(s)]

> color (#!2 & sel) #5b822cff

> color (#!2 & sel) #5a822cff

> color (#!2 & sel) #5a832dff

> color (#!2 & sel) #5c882eff

> color (#!2 & sel) #5b8b2fff

> color (#!2 & sel) #5c8d30ff

> color (#!2 & sel) #5e9131ff

> color (#!2 & sel) #609532ff

[Repeated 2 time(s)]

> select clear

[Repeated 1 time(s)]

> ui mousemode right translate

> transparency all 0 ribbons

> lighting soft

> save "/Users/dongju/Desktop/Research projects-Monash/NRE/All Figures-
> draft/Figure 7C-GPR20 inactive-no G protein.cxs"

> save "/Users/dongju/Desktop/Research projects-Monash/NRE/All Figures-
> draft/Figure 7C-GPR20 inactive structure with tags.png" width 1751 height
> 1200 supersample 3

> close session

> open 8tb7

8tb7 title:  
Cryo-EM Structure of GPR61- [more info...]  
  
Chain information for 8tb7 #1  
---  
Chain | Description | UniProt  
H | Fab24 BAK5 heavy chain |   
L | Fab24 BAK5 light chain |   
N | Fab hinge-binding nanobody |   
R | G-protein coupled receptor 61,Soluble cytochrome b562 | GPR61_HUMAN 11-242 365-532, C562_ECOLX 248-352  
  
Non-standard residues in 8tb7 #1  
---  
ZOB —
6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide  
  

> rename #1 GPR61_BRIL_8tb7

> hide atoms

> select /R

5276 atoms, 5329 bonds, 4 pseudobonds, 330 residues, 2 models selected  

> color (#!1 & sel) byhetero

> color (#!1 & sel) #131db3ff

> color (#!1 & sel) #101dbfff

> color (#!1 & sel) #0b1ccfff

> color (#!1 & sel) #061cd8ff

> color (#!1 & sel) #001aeeff

> color (#!1 & sel) #001bf1ff

> color (#!1 & sel) #001bf3ff

> color (#!1 & sel) #001bf5ff

> color (#!1 & sel) #001df1ff

> color (#!1 & sel) #001ef0ff

[Repeated 1 time(s)]

> color (#!1 & sel) #001feeff

> color (#!1 & sel) #0923eaff

> color (#!1 & sel) #0b26ebff

> color (#!1 & sel) #2150ebff

> color (#!1 & sel) #4ca7edff

> color (#!1 & sel) #61d3f1ff

> color (#!1 & sel) #70f1eeff

> color (#!1 & sel) #71f1e5ff

[Repeated 1 time(s)]

> color (#!1 & sel) #70efe6ff

> color (#!1 & sel) #70e9ebff

> color (#!1 & sel) #6cdceaff

> color (#!1 & sel) #5bade5ff

> color (#!1 & sel) #5391e3ff

> color (#!1 & sel) #528ee3ff

> color (#!1 & sel) #5391e3ff

> color (#!1 & sel) #65b3e4ff

> color (#!1 & sel) #72cae5ff

> color (#!1 & sel) #76cce4ff

> color (#!1 & sel) #84d1e5ff

> color (#!1 & sel) #8ad4e5ff

[Repeated 1 time(s)]

> color (#!1 & sel) #8ad5e5ff

> color (#!1 & sel) #8cd8e5ff

> color (#!1 & sel) #8edae5ff

> color (#!1 & sel) #8cd3e4ff

> color (#!1 & sel) #8194e2ff

> color (#!1 & sel) #7d7fe1ff

> color (#!1 & sel) #817fe1ff

> color (#!1 & sel) #857fe2ff

> color (#!1 & sel) #8d7ae1ff

> color (#!1 & sel) #ab77e0ff

> color (#!1 & sel) #c26ae1ff

> color (#!1 & sel) #c368e0ff

[Repeated 1 time(s)]

> color (#!1 & sel) #c86de1ff

> color (#!1 & sel) #cd74e1ff

> color (#!1 & sel) #d078e1ff

> color (#!1 & sel) #d27ee2ff

> color (#!1 & sel) #d486e3ff

> color (#!1 & sel) #d488e3ff

> color (#!1 & sel) #d58ae3ff

> color (#!1 & sel) #d893e4ff

> color (#!1 & sel) #d995e5ff

[Repeated 1 time(s)]

> color (#!1 & sel) #dc9ae5ff

> color (#!1 & sel) #e1a1e7ff

[Repeated 1 time(s)]

> color (#!1 & sel) #e1a2e6ff

> color (#!1 & sel) #e0a2e5ff

> color (#!1 & sel) #df9ee2ff

> color (#!1 & sel) #d978d8ff

> color (#!1 & sel) #da47d4ff

> color (#!1 & sel) #e439d5ff

> color (#!1 & sel) #e738d7ff

> color (#!1 & sel) #e937c8ff

> color (#!1 & sel) #dd36bcff

> color (#!1 & sel) #d935b7ff

> color (#!1 & sel) #d734b5ff

> color (#!1 & sel) #cb33b4ff

> color (#!1 & sel) #b830b3ff

> color (#!1 & sel) #af30b6ff

> color (#!1 & sel) #ae2fb6ff

[Repeated 1 time(s)]

> color (#!1 & sel) #a82eb4ff

> color (#!1 & sel) #a42db3ff

> color (#!1 & sel) #a42eb3ff

[Repeated 1 time(s)]

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> color (#!1 & sel) #bd32dbff

[Repeated 1 time(s)]

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> color (#!1 & sel) #c533deff

> color (#!1 & sel) #c934dfff

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> color (#!1 & sel) #ce35d0ff

> color (#!1 & sel) #c933c2ff

> color (#!1 & sel) #c633baff

> color (#!1 & sel) #c132b3ff

> color (#!1 & sel) #b12f9bff

> color (#!1 & sel) #a72d93ff

> color (#!1 & sel) #a52d91ff

> color (#!1 & sel) #a52c90ff

> color (#!1 & sel) #9a2a8aff

> color (#!1 & sel) #902886ff

> color (#!1 & sel) #85267cff

> color (#!1 & sel) #7c2473ff

> color (#!1 & sel) #7b2472ff

> color (#!1 & sel) #7c2470ff

> color (#!1 & sel) #7f2468ff

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> color (#!1 & sel) #822464ff

> color (#!1 & sel) #8e287eff

> color (#!1 & sel) #922983ff

[Repeated 1 time(s)]

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> color (#!1 & sel) #a02ca9ff

> color (#!1 & sel) #a32dadff

> color (#!1 & sel) #aa2fb5ff

[Repeated 1 time(s)]

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> color (#!1 & sel) #b630b0ff

> color (#!1 & sel) #b630acff

> color (#!1 & sel) #b630aaff

> color (#!1 & sel) #b630a9ff

> color (#!1 & sel) #b730a3ff

> color (#!1 & sel) #b730a0ff

> color (#!1 & sel) #b9309cff

> color (#!1 & sel) #ba2f98ff

> color (#!1 & sel) #bb3097ff

> color (#!1 & sel) #bb308fff

> color (#!1 & sel) #be3086ff

> color (#!1 & sel) #bf3086ff

> color (#!1 & sel) #bf3084ff

> color (#!1 & sel) #be3086ff

> color (#!1 & sel) #b02e83ff

> color (#!1 & sel) #aa2c83ff

> color (#!1 & sel) #a02b80ff

> color (#!1 & sel) #9c2a7fff

> color (#!1 & sel) #9b2a7eff

> color (#!1 & sel) #932979ff

> color (#!1 & sel) #8a2774ff

> color (#!1 & sel) #892673ff

> color (#!1 & sel) #882672ff

> color (#!1 & sel) #832572ff

> color (#!1 & sel) #832571ff

> color (#!1 & sel) #8a2774ff

> color (#!1 & sel) #92287aff

> color (#!1 & sel) #95297bff

> color (#!1 & sel) #98297dff

> color (#!1 & sel) #9c2a80ff

> color (#!1 & sel) #9e2a81ff

> color (#!1 & sel) #9f2b82ff

> color (#!1 & sel) #ae2e8fff

> color (#!1 & sel) #b62f94ff

[Repeated 2 time(s)]

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> color (#!1 & sel) #a32c93ff

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> color (#!1 & sel) #9e2b93ff

> color (#!1 & sel) #9e2b94ff

> color (#!1 & sel) #962a95ff

> color (#!1 & sel) #962a96ff

> color (#!1 & sel) #972b96ff

> color (#!1 & sel) #9b2b9bff

> color (#!1 & sel) #9e2c9eff

> color (#!1 & sel) #a22da7ff

> color (#!1 & sel) #a42eadff

> color (#!1 & sel) #a62eb0ff

> color (#!1 & sel) #a72eb2ff

> color (#!1 & sel) #a82eb3ff

> color (#!1 & sel) #ac2fb7ff

> color (#!1 & sel) #b030bbff

> color (#!1 & sel) #b030bcff

> color (#!1 & sel) #b330bfff

> color (#!1 & sel) #ba32c5ff

> color (#!1 & sel) #be32c9ff

> color (#!1 & sel) #c133ccff

> color (#!1 & sel) #c233cdff

> color (#!1 & sel) #c233ceff

> color (#!1 & sel) #bc32d2ff

> color (#!1 & sel) #b731d4ff

> color (#!1 & sel) #b631d4ff

> color (#!1 & sel) #b12fd4ff

> color (#!1 & sel) #b02fd5ff

> color (#!1 & sel) #ac2fd6ff

> color (#!1 & sel) #ac2ed7ff

> color (#!1 & sel) #ac2fd9ff

> color (#!1 & sel) #ad2fd9ff

> color (#!1 & sel) #ae2fdbff

> color (#!1 & sel) #b22fdfff

> color (#!1 & sel) #b330e1ff

> color (#!1 & sel) #b630e3ff

> color (#!1 & sel) #c232eaff

> color (#!1 & sel) #c733ebff

> color (#!1 & sel) #ca34ecff

> color (#!1 & sel) #cf35edff

> color (#!1 & sel) #d035edff

> color (#!1 & sel) #d336eeff

> color (#!1 & sel) #db37f0ff

> color (#!1 & sel) #e038f1ff

> color (#!1 & sel) #e639f2ff

> color (#!1 & sel) #e739efff

> color (#!1 & sel) #e839ebff

> color (#!1 & sel) #e839e9ff

[Repeated 1 time(s)]

> color (#!1 & sel) #e938e2ff

> color (#!1 & sel) #e837cdff

> color (#!1 & sel) #c63191ff

> color (#!1 & sel) #b82e86ff

> color (#!1 & sel) #b72f8fff

> color (#!1 & sel) #b42f96ff

> color (#!1 & sel) #ae2e96ff

> color (#!1 & sel) #a52d94ff

> color (#!1 & sel) #a12c97ff

> color (#!1 & sel) #a02c96ff

> color (#!1 & sel) #9f2c95ff

> color (#!1 & sel) #9e2b96ff

> color (#!1 & sel) #9e2b99ff

> color (#!1 & sel) #9d2b98ff

> color (#!1 & sel) #9c2b98ff

[Repeated 1 time(s)]

> color (#!1 & sel) #9c2b94ff

> color (#!1 & sel) #9d2b87ff

> color (#!1 & sel) #9e2a81ff

> color (#!1 & sel) #9e2a80ff

> color (#!1 & sel) #a02b7cff

> color (#!1 & sel) #a12b7cff

> color (#!1 & sel) #a22b79ff

> color (#!1 & sel) #a32b72ff

> color (#!1 & sel) #a22b6eff

> color (#!1 & sel) #a22a69ff

> color (#!1 & sel) #a12a62ff

> color (#!1 & sel) #a02a5cff

> color (#!1 & sel) #9f2a5cff

> color (#!1 & sel) #9f2a5bff

> color (#!1 & sel) #93286bff

> color (#!1 & sel) #902772ff

> color (#!1 & sel) #902873ff

> color (#!1 & sel) #8f2874ff

> color (#!1 & sel) #8c2774ff

[Repeated 3 time(s)]

> color (#!1 & sel) #8d2771ff

[Repeated 1 time(s)]

> color (#!1 & sel) #8e276eff

> color (#!1 & sel) #8f2769ff

> color (#!1 & sel) #8f286aff

> color (#!1 & sel) #96296fff

> color (#!1 & sel) #9d2a76ff

> color (#!1 & sel) #9e2a77ff

> color (#!1 & sel) #9e2a76ff

> color (#!1 & sel) #9e2a74ff

[Repeated 1 time(s)]

> color (#!1 & sel) #9e2a75ff

> color (#!1 & sel) #a22b79ff

> select /L

3197 atoms, 3234 bonds, 212 residues, 1 model selected  

> color sel #d3f0edff

[Repeated 1 time(s)]

> color sel #d5f1edff

> color sel #d7f2ecff

> color sel #d9f2ebff

> color sel #daf2ebff

> color sel #daf3ebff

> color sel #dbf3ecff

> color sel #dcf3eeff

> color sel #dff3eeff

> color sel #e1f5f0ff

> color sel #e4f6f2ff

> color sel #e5f6f2ff

[Repeated 2 time(s)]

> color sel #e5f5f2ff

> color sel #e6f6f3ff

> color sel #e7f7f4ff

> color sel #e8f7f4ff

[Repeated 2 time(s)]

> color sel #e7f6f3ff

> color sel #e6f6f2ff

> color sel #e5f6f2ff

> color sel #e4f6f2ff

> color sel #e3f5f1ff

> color sel #e2f5f0ff

> color sel #e0f4efff

> color sel #dff3eeff

> color sel #dbf3ecff

> color sel #daf3ebff

> color sel #d9f2ebff

> color sel #d8f2eaff

> color sel #d7f2e8ff

> color sel #d6f2e8ff

[Repeated 1 time(s)]

> color sel #d5f2e8ff

> color sel #d2f0e7ff

> color sel #d1f0e5ff

> color sel #ccefe3ff

> color sel #cbeee2ff

> color sel #caeee2ff

[Repeated 2 time(s)]

> color sel #c9eee3ff

> color sel #c9eee2ff

> color sel #c7eee0ff

> color sel #c5eddfff

> color sel #c4eddfff

> color sel #c3eddfff

> color sel #c3eddeff

> color sel #c2eddcff

> color sel #c1ecd9ff

> color sel #beecd7ff

> color sel #bcecd6ff

> color sel #b8ebd3ff

> color sel #b8ebd2ff

> color sel #b6ead2ff

> color sel #b5e9d2ff

> color sel #b1e9d0ff

> color sel #afe8cfff

> color sel #aee8ceff

> color sel #ace8ceff

> color sel #abe8cfff

> color sel #aae8d0ff

> color sel #a9e7d1ff

[Repeated 1 time(s)]

> color sel #a8e7d1ff

> color sel #a7e7d0ff

> color sel #a5e7cfff

> color sel #a3e7ceff

> color sel #9fe6ccff

> color sel #99e5c9ff

> color sel #98e5c8ff

[Repeated 2 time(s)]

> color sel #99e5cbff

> color sel #9ae5ceff

> color sel #9be5d3ff

> color sel #9ce6d9ff

> color sel #9ce6daff

> color sel #9ce6dbff

[Repeated 1 time(s)]

> color sel #9ce6dcff

[Repeated 1 time(s)]

> color sel #9ce6ddff

> color sel #9ce6deff

> color sel #9de6dfff

> color sel #9de6e1ff

> color sel #9ee6e2ff

> color sel #9fe6e4ff

> color sel #9fe6e5ff

> color sel #9fe6e6ff

> color sel #9fe6e7ff

[Repeated 1 time(s)]

> color sel #a0e6e8ff

> color sel #a0e2e8ff

> color sel #a1e2e8ff

> color sel #a1e0e8ff

> color sel #a1dbe7ff

> color sel #a1d8e7ff

> color sel #a1d7e7ff

> color sel #a1d5e7ff

> color sel #a1d2e7ff

> color sel #a1d1e7ff

[Repeated 1 time(s)]

> color sel #a1d0e7ff

> color sel #a1cce6ff

[Repeated 1 time(s)]

> color sel #a1cbe6ff

> color sel #a2cbe6ff

> color sel #a3cae7ff

> color sel #a3c8e7ff

> color sel #a5c7e8ff

> color sel #a9c6e8ff

> color sel #aac7e9ff

> color sel #acc7e8ff

> color sel #adc7e9ff

[Repeated 1 time(s)]

> color sel #afc8e9ff

> color sel #afc7e9ff

> color sel #b0c7e9ff

> color sel #b2c6e9ff

> color sel #b4c7eaff

> color sel #b6c8eaff

> color sel #b7c8eaff

> color sel #b8c8eaff

> color sel #b9c9eaff

[Repeated 1 time(s)]

> color sel #bacaebff

[Repeated 1 time(s)]

> color sel #bacaecff

> color sel #bbc9ebff

> color sel #bccaebff

> color sel #becaebff

> color sel #bfcbebff

> color sel #c1cbecff

[Repeated 2 time(s)]

> color sel #c2ccecff

> color sel #c1ccecff

[Repeated 1 time(s)]

> color sel #b8c0eaff

> color sel #b7beeaff

> color sel #b5bee9ff

> color sel #b3bceaff

> color sel #b1bae9ff

> color sel #afb8e8ff

> color sel #adb8e8ff

[Repeated 1 time(s)]

> color sel #acb7e8ff

> color sel #abb6e8ff

> color sel #abb5e8ff

> color sel #a9b4e8ff

> color sel #a7b2e7ff

[Repeated 2 time(s)]

> color sel #a6b1e7ff

> color sel #a5b0e7ff

> color sel #a4b0e7ff

> select /H

3275 atoms, 3324 bonds, 1 pseudobond, 222 residues, 2 models selected  

> color (#!1 & sel) #efddccff

[Repeated 1 time(s)]

> color (#!1 & sel) #eedcccff

> color (#!1 & sel) #eedbcaff

> color (#!1 & sel) #eedbc9ff

> color (#!1 & sel) #ecd6c3ff

> color (#!1 & sel) #ebd3bfff

> color (#!1 & sel) #ebd3beff

> color (#!1 & sel) #ecdac3ff

> color (#!1 & sel) #eeddc6ff

> color (#!1 & sel) #eedec8ff

> color (#!1 & sel) #eedfc8ff

> color (#!1 & sel) #efe0caff

> color (#!1 & sel) #efe1cdff

> color (#!1 & sel) #f0e3ceff

> color (#!1 & sel) #efe3cdff

> color (#!1 & sel) #eeddc8ff

> color (#!1 & sel) #ead0baff

> color (#!1 & sel) #e8c9b2ff

> color (#!1 & sel) #e6c3abff

> color (#!1 & sel) #e3b89fff

> color (#!1 & sel) #e1ae94ff

> color (#!1 & sel) #dfa58aff

> color (#!1 & sel) #de9f84ff

> color (#!1 & sel) #de9d82ff

> color (#!1 & sel) #de9e82ff

[Repeated 2 time(s)]

> color (#!1 & sel) #de9c82ff

[Repeated 1 time(s)]

> color (#!1 & sel) #de9d83ff

> color (#!1 & sel) #de9c83ff

[Repeated 2 time(s)]

> color (#!1 & sel) #de9d85ff

> color (#!1 & sel) #de9e8aff

> color (#!1 & sel) #dfa390ff

> color (#!1 & sel) #e0a895ff

> color (#!1 & sel) #e1aa99ff

> color (#!1 & sel) #e2ad9cff

> color (#!1 & sel) #e2ad9dff

> color (#!1 & sel) #e2ae9dff

[Repeated 1 time(s)]

> color (#!1 & sel) #e2af9dff

> color (#!1 & sel) #e2ae9cff

> color (#!1 & sel) #e0aa93ff

> color (#!1 & sel) #dea184ff

> color (#!1 & sel) #dea082ff

[Repeated 1 time(s)]

> color (#!1 & sel) #dea081ff

> color (#!1 & sel) #de9f81ff

> color (#!1 & sel) #dd9c7dff

> color (#!1 & sel) #dd9b7bff

[Repeated 2 time(s)]

> color (#!1 & sel) #dc9878ff

> color (#!1 & sel) #dc9473ff

> color (#!1 & sel) #dc936eff

> color (#!1 & sel) #dc946eff

> color (#!1 & sel) #dc946dff

[Repeated 1 time(s)]

> color (#!1 & sel) #dc956dff

[Repeated 1 time(s)]

> color (#!1 & sel) #dc966eff

> color (#!1 & sel) #dd996eff

> color (#!1 & sel) #dd9c6eff

> color (#!1 & sel) #dd9f6fff

> color (#!1 & sel) #dea16fff

> color (#!1 & sel) #dea26fff

> color (#!1 & sel) #dea570ff

> color (#!1 & sel) #dfa972ff

> color (#!1 & sel) #dfad77ff

> color (#!1 & sel) #e0b37cff

> color (#!1 & sel) #e1b47eff

> color (#!1 & sel) #e0b47eff

[Repeated 1 time(s)]

> color (#!1 & sel) #e1b782ff

> color (#!1 & sel) #e2bc87ff

> color (#!1 & sel) #e2bd8aff

> color (#!1 & sel) #e3bf8dff

> color (#!1 & sel) #e3c08fff

> color (#!1 & sel) #e4c293ff

[Repeated 2 time(s)]

> color (#!1 & sel) #e2bc87ff

> color (#!1 & sel) #e0b67dff

> color (#!1 & sel) #e0b073ff

> color (#!1 & sel) #dfac6cff

> color (#!1 & sel) #dfa564ff

> color (#!1 & sel) #de9a5dff

> color (#!1 & sel) #dd9058ff

> color (#!1 & sel) #dd8952ff

> color (#!1 & sel) #dc804eff

> color (#!1 & sel) #dc7b4aff

> color (#!1 & sel) #dc7847ff

> color (#!1 & sel) #dc7746ff

> color (#!1 & sel) #dc7345ff

> color (#!1 & sel) #dc7244ff

> color (#!1 & sel) #dc7142ff

> color (#!1 & sel) #dd7041ff

> color (#!1 & sel) #dd6e3fff

> color (#!1 & sel) #dd6f3fff

> color (#!1 & sel) #dd6e3fff

> color (#!1 & sel) #dd7040ff

> color (#!1 & sel) #dd7442ff

> color (#!1 & sel) #dd7742ff

> color (#!1 & sel) #dd7843ff

[Repeated 2 time(s)]

> color (#!1 & sel) #dd7943ff

> color (#!1 & sel) #dd7944ff

> color (#!1 & sel) #dd7e45ff

> color (#!1 & sel) #de8347ff

> color (#!1 & sel) #de8648ff

> color (#!1 & sel) #df8a48ff

[Repeated 1 time(s)]

> color (#!1 & sel) #df8c48ff

> color (#!1 & sel) #df954bff

> color (#!1 & sel) #e09d4dff

> color (#!1 & sel) #e0a14eff

> color (#!1 & sel) #e1a44fff

[Repeated 2 time(s)]

> color (#!1 & sel) #e1a650ff

[Repeated 1 time(s)]

> color (#!1 & sel) #e09d4dff

> color (#!1 & sel) #df8e48ff

> color (#!1 & sel) #de7a40ff

> color (#!1 & sel) #de6f3cff

> color (#!1 & sel) #de6c3cff

> color (#!1 & sel) #dd673aff

> color (#!1 & sel) #de6038ff

> color (#!1 & sel) #dd5b38ff

> color (#!1 & sel) #dd5937ff

[Repeated 1 time(s)]

> color (#!1 & sel) #dd5a38ff

> color (#!1 & sel) #dc603dff

> color (#!1 & sel) #db6745ff

> color (#!1 & sel) #db6846ff

[Repeated 1 time(s)]

> color (#!1 & sel) #db6747ff

> color (#!1 & sel) #d95f49ff

> color (#!1 & sel) #d95e4bff

> color (#!1 & sel) #d95c4cff

> color (#!1 & sel) #d95b4cff

[Repeated 1 time(s)]

> color (#!1 & sel) #d95a4eff

> color (#!1 & sel) #d95b4eff

[Repeated 1 time(s)]

> color (#!1 & sel) #d86157ff

> color (#!1 & sel) #d9655bff

> color (#!1 & sel) #d9665bff

> color (#!1 & sel) #d9675dff

> color (#!1 & sel) #d9685dff

> color (#!1 & sel) #d8685eff

> color (#!1 & sel) #d86b62ff

> color (#!1 & sel) #d96d64ff

> color (#!1 & sel) #d97369ff

> color (#!1 & sel) #d97870ff

> color (#!1 & sel) #da7e76ff

[Repeated 1 time(s)]

> color (#!1 & sel) #da8077ff

> color (#!1 & sel) #db8179ff

> color (#!1 & sel) #db857dff

> color (#!1 & sel) #dc8980ff

> color (#!1 & sel) #dc8a81ff

[Repeated 4 time(s)]

> select /N

1746 atoms, 1764 bonds, 1 pseudobond, 117 residues, 2 models selected  

> color (#!1 & sel) #66af39ff

> color (#!1 & sel) #60a235ff

> color (#!1 & sel) #5a9732ff

> color (#!1 & sel) #548a2eff

> color (#!1 & sel) #50832cff

> color (#!1 & sel) #4d7f2bff

> color (#!1 & sel) #4c7e2bff

> color (#!1 & sel) #4b7d2aff

> color (#!1 & sel) #4b7c2aff

> color (#!1 & sel) #4b7b2aff

[Repeated 1 time(s)]

> color (#!1 & sel) #4f7d2bff

> color (#!1 & sel) #517f2bff

> color (#!1 & sel) #51802bff

> color (#!1 & sel) #52822cff

> color (#!1 & sel) #5f9632ff

> color (#!1 & sel) #65a035ff

> color (#!1 & sel) #67a236ff

> color (#!1 & sel) #68a336ff

> color (#!1 & sel) #69a737ff

> color (#!1 & sel) #69a937ff

> color (#!1 & sel) #6aae39ff

> color (#!1 & sel) #6bb23aff

> color (#!1 & sel) #6bb83bff

> color (#!1 & sel) #6cbc3dff

> color (#!1 & sel) #6dbd3dff

[Repeated 1 time(s)]

> color (#!1 & sel) #6bbc3dff

> color (#!1 & sel) #64b83bff

> color (#!1 & sel) #61b63bff

> color (#!1 & sel) #5db53aff

[Repeated 1 time(s)]

> color (#!1 & sel) #5cb73bff

> color (#!1 & sel) #5fbd3cff

> color (#!1 & sel) #63c73fff

> color (#!1 & sel) #64ca40ff

> color (#!1 & sel) #64ce41ff

> color (#!1 & sel) #64d242ff

> color (#!1 & sel) #64d443ff

[Repeated 1 time(s)]

> color (#!1 & sel) #64d544ff

> color (#!1 & sel) #64d545ff

> color (#!1 & sel) #63d346ff

> color (#!1 & sel) #61ce46ff

> color (#!1 & sel) #5abf42ff

> color (#!1 & sel) #59bc42ff

> color (#!1 & sel) #57b841ff

> color (#!1 & sel) #55b440ff

> color (#!1 & sel) #52ad3eff

> color (#!1 & sel) #4a9c38ff

> color (#!1 & sel) #459135ff

> color (#!1 & sel) #428a33ff

[Repeated 1 time(s)]

> color (#!1 & sel) #428933ff

> color (#!1 & sel) #418837ff

[Repeated 2 time(s)]

> color (#!1 & sel) #418938ff

> color (#!1 & sel) #489740ff

> color (#!1 & sel) #4fa74cff

> color (#!1 & sel) #50a84fff

> color (#!1 & sel) #50a950ff

> color (#!1 & sel) #4fa74eff

> color (#!1 & sel) #499a49ff

> color (#!1 & sel) #449046ff

> color (#!1 & sel) #448f46ff

> color (#!1 & sel) #479444ff

> color (#!1 & sel) #489842ff

> color (#!1 & sel) #489742ff

> color (#!1 & sel) #469441ff

> color (#!1 & sel) #469341ff

> color (#!1 & sel) #469241ff

> color (#!1 & sel) #459140ff

> color (#!1 & sel) #45903fff

> color (#!1 & sel) #448e3fff

> color (#!1 & sel) #428b3eff

[Repeated 1 time(s)]

> color (#!1 & sel) #428a3eff

> color (#!1 & sel) #428a3dff

> color (#!1 & sel) #41873cff

[Repeated 2 time(s)]

> ui mousemode right select

> select clear

> ui mousemode right translate

> ui tool show "Show Sequence Viewer"

> sequence chain /R

Alignment identifier is 1/R  

> lighting soft

> save "/Users/dongju/Desktop/Research projects-Monash/NRE/All Figures-
> draft/Figure 7D-GPR61-BRIL fused structure.cxs"

——— End of log from Mon Apr 1 18:14:01 2024 ———

opened ChimeraX session  

Could not find virtual screen for QCocoaScreen(0x600001b2b9c0, "DELL P2422H",
QRect(-1920,0 1920x1080), dpr=1, displayId=4128833, ) with displayId 4128833  

> open 8TB0

8tb0 title:  
Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16 [more
info...]  
  
Chain information for 8tb0 #2  
---  
Chain | Description | UniProt  
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 1-340  
F | Single-chain Fv16 |   
G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
R | GPR61 fused to dominant negative G alpha S/I N18 chimera | GPR61_HUMAN 2-1446, GNAS2_HUMAN 1481-1849  
  

> ui tool show Matchmaker

> matchmaker #!1 to #2/R pairing bs

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8tb0, chain R (#2) with GPR61_BRIL_8tb7, chain R (#1), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  

> matchmaker #!1 to #2/R pairing bs

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8tb0, chain R (#2) with GPR61_BRIL_8tb7, chain R (#1), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  

> select #2/G

385 atoms, 391 bonds, 50 residues, 1 model selected  

> color sel #e9e19aff

> color sel #e9e19eff

> color sel #eae2a1ff

> color sel #eae2a3ff

> color sel #ede7b6ff

> color sel #ede9b9ff

> color sel #eeeabdff

> color sel #f1edc9ff

[Repeated 4 time(s)]

> color sel #f1ecc8ff

> color sel #f0ebc8ff

> color sel #f0e8c8ff

> color sel #f0e7ccff

> color sel #f0e6cdff

> color sel #f0e6ccff

> color sel #f0e5cdff

> color sel #f0e5ccff

> color sel #f0e5cdff

[Repeated 3 time(s)]

> color sel #f0e8cdff

[Repeated 1 time(s)]

> select #2/B

2539 atoms, 2587 bonds, 333 residues, 1 model selected  

> color sel #c5caecff

[Repeated 2 time(s)]

> color sel #c8cbeeff

> color sel #c9cdeeff

> color sel #cacdeeff

> color sel #caceeeff

[Repeated 1 time(s)]

> color sel #cbcfefff

> color sel #cccfeeff

> color sel #cdcfeeff

> color sel #b8b9ebff

> color sel #b7b8ebff

> color sel #b7b7eaff

> color sel #b6b7eaff

> color sel #b6b6eaff

> color sel #b5b5eaff

> color sel #b6b6eaff

> color sel #b7b6eaff

> color sel #b8b6e9ff

> color sel #bbb6e9ff

> color sel #bcb6e9ff

> color sel #bdb7eaff

> color sel #c5beecff

[Repeated 2 time(s)]

> color sel #c4beebff

> color sel #c5beecff

> color sel #c6bfecff

> color sel #c7bfecff

> color sel #cac2ebff

> color sel #d0caeeff

> color sel #d1caefff

> color sel #d5cdeeff

> color sel #dfd7f1ff

> color sel #e1d8f1ff

> color sel #e2d8f1ff

> color sel #e1d6f1ff

> color sel #dfd3f1ff

> color sel #dbcbeeff

> color sel #d0bcebff

> color sel #cebaebff

> color sel #cdb7eaff

> color sel #c9b3e9ff

> color sel #c9b2e9ff

> color sel #c7afe8ff

> color sel #c5ade8ff

> color sel #c4ace8ff

> color sel #c5ace8ff

> color sel #bda1e6ff

> color sel #bc9ee6ff

[Repeated 1 time(s)]

> color sel #bb9de5ff

> color sel #b99ce5ff

> color sel #b899e4ff

> color sel #b798e5ff

[Repeated 2 time(s)]

> color sel #c299e4ff

> color sel #c29ae4ff

[Repeated 1 time(s)]

> color sel #c299e4ff

> color sel #c29ae4ff

> color sel #c39ae4ff

> color sel #c49ce6ff

> color sel #c49de5ff

> color sel #c49ee5ff

> color sel #c59fe6ff

> color sel #c6a0e6ff

> color sel #ceade8ff

> color sel #d2b6eaff

> color sel #d8beebff

> color sel #dcc4edff

> color sel #ddc6edff

> color sel #ddc7edff

> color sel #e7cdefff

> color sel #e8cdefff

> color sel #e9ceefff

> color sel #ebcbedff

> color sel #ecccecff

> color sel #ecccebff

> color sel #eccce7ff

> color sel #eccde7ff

[Repeated 2 time(s)]

> color sel #eccee6ff

[Repeated 1 time(s)]

> color sel #edcfe6ff

> color sel #edd1e8ff

> color sel #eed3e8ff

> color sel #efd6e8ff

> color sel #efd7e9ff

> color sel #f0d9e9ff

> color sel #f1dbeaff

> color sel #f1dcebff

> color sel #f2deecff

> color sel #f2dfecff

> color sel #f3dfecff

> color sel #f3e2eeff

> color sel #f5e6f0ff

> color sel #f8f0f6ff

> color sel #fbf7faff

> color sel #fcf8fbff

> color sel #fcf8faff

[Repeated 1 time(s)]

> color sel #fbf7faff

[Repeated 1 time(s)]

> color sel #f8eff7ff

> color sel #f7ecf6ff

> color sel #f5e9f5ff

> color sel #f5e8f5ff

> color sel #f5e5f4ff

> color sel #f3e3f4ff

> color sel #f0daf1ff

> color sel #efd6f1ff

> color sel #edd2efff

> color sel #eccdefff

> color sel #e6bdebff

[Repeated 1 time(s)]

> color sel #e6bcebff

> color sel #e5bbebff

> color sel #e3b7eaff

[Repeated 1 time(s)]

> color sel #e2b6e9ff

[Repeated 1 time(s)]

> color sel #e3b7eaff

[Repeated 1 time(s)]

> color sel #e3bdebff

> color sel #e3c1ecff

[Repeated 3 time(s)]

> color sel #e4c1ecff

> color sel #e4c2ecff

[Repeated 2 time(s)]

> color sel #e3c3edff

> color sel #e4c3edff

[Repeated 1 time(s)]

> color sel #e4c5edff

> color sel #e3c7eeff

> color sel #e4caefff

> color sel #e5cdefff

> color sel #e6cfefff

> color sel #e5cfefff

[Repeated 3 time(s)]

> color sel #e5d0efff

[Repeated 3 time(s)]

> color sel #e4d2f1ff

> color sel #e4d3f1ff

[Repeated 1 time(s)]

> color sel #e4d4f1ff

[Repeated 1 time(s)]

> select #2/F

1780 atoms, 1826 bonds, 1 pseudobond, 233 residues, 2 models selected  

> color (#!2 & sel) #d6edbeff

> color (#!2 & sel) #d8edbfff

> color (#!2 & sel) #dceec4ff

> color (#!2 & sel) #dfeec6ff

> color (#!2 & sel) #e4f0ceff

> color (#!2 & sel) #e5f1d0ff

> color (#!2 & sel) #e7f3d7ff

> color (#!2 & sel) #e9f3dcff

> color (#!2 & sel) #e8f3dbff

> color (#!2 & sel) #e8f3d9ff

> color (#!2 & sel) #e8f3d7ff

> color (#!2 & sel) #e8f3d6ff

[Repeated 1 time(s)]

> color (#!2 & sel) #e8f2d3ff

> color (#!2 & sel) #e6f1ceff

> color (#!2 & sel) #e5f1cdff

> color (#!2 & sel) #e7efc5ff

> color (#!2 & sel) #e9efc3ff

> color (#!2 & sel) #e5efc4ff

> color (#!2 & sel) #e1efc4ff

> color (#!2 & sel) #deeec5ff

> color (#!2 & sel) #dbefc7ff

> color (#!2 & sel) #dbefc8ff

> color (#!2 & sel) #daefc8ff

> color (#!2 & sel) #daf0c9ff

> color (#!2 & sel) #daf0caff

> color (#!2 & sel) #dbf0ccff

> color (#!2 & sel) #dbf0cdff

> color (#!2 & sel) #daf0cdff

[Repeated 1 time(s)]

> color (#!2 & sel) #d9f0cdff

> color (#!2 & sel) #d8f0cdff

[Repeated 3 time(s)]

> color (#!2 & sel) #d7f0cdff

> color (#!2 & sel) #d6f0cdff

> color (#!2 & sel) #d6f0ccff

> color (#!2 & sel) #cdeec6ff

> color (#!2 & sel) #cbeec4ff

> color (#!2 & sel) #caeec3ff

> color (#!2 & sel) #c4edbeff

[Repeated 1 time(s)]

> color (#!2 & sel) #c4edbdff

> color (#!2 & sel) #c3ecbcff

> color (#!2 & sel) #c2ecbaff

> color (#!2 & sel) #c2ecbbff

> color (#!2 & sel) #c2edbcff

[Repeated 1 time(s)]

> color (#!2 & sel) #c3edbdff

> color (#!2 & sel) #c8eec4ff

> color (#!2 & sel) #c9eec5ff

> color (#!2 & sel) #c9eec6ff

> color (#!2 & sel) #cbeec9ff

> color (#!2 & sel) #cdefccff

> color (#!2 & sel) #ceefccff

[Repeated 1 time(s)]

> color (#!2 & sel) #cbeecaff

> color (#!2 & sel) #c8eec8ff

> color (#!2 & sel) #c6edc4ff

> color (#!2 & sel) #c3edc3ff

> color (#!2 & sel) #c2edc2ff

[Repeated 1 time(s)]

> color (#!2 & sel) #b6eab6ff

> color (#!2 & sel) #ace8acff

> color (#!2 & sel) #ace8abff

> color (#!2 & sel) #abe8aaff

> color (#!2 & sel) #a9e7a7ff

[Repeated 2 time(s)]

> select #2/G

385 atoms, 391 bonds, 50 residues, 1 model selected  

> hide sel cartoons

> select #2/B

2539 atoms, 2587 bonds, 333 residues, 1 model selected  

> hide sel cartoons

> select #2/F

1780 atoms, 1826 bonds, 1 pseudobond, 233 residues, 2 models selected  

> hide sel cartoons

> select #2/R

3756 atoms, 3841 bonds, 7 pseudobonds, 474 residues, 2 models selected  

> ui mousemode right select

> select clear

[Repeated 1 time(s)]

> ui mousemode right translate

> open 3SN6

Summary of feedback from opening 3SN6 fetched from pdb  
---  
note | Fetching compressed mmCIF 3sn6 from http://files.rcsb.org/download/3sn6.cif  
  
3sn6 title:  
Crystal structure of the beta2 adrenergic receptor-Gs protein complex [more
info...]  
  
Chain information for 3sn6 #3  
---  
Chain | Description | UniProt  
A | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | GNAS2_BOVIN 1-394  
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_RAT 2-340  
G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_BOVIN 1-68  
N | Camelid antibody VHH fragment |   
R | Endolysin,Beta-2 adrenergic receptor | ENLYS_BPT4 1002-1161, ADRB2_HUMAN 29-365  
  
Non-standard residues in 3sn6 #3  
---  
P0G —
8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one  
  

> select add #3

10274 atoms, 10478 bonds, 6 pseudobonds, 1319 residues, 2 models selected  

> hide sel cartoons

> show sel cartoons

> hide sel atoms

> ui tool show Matchmaker

> matchmaker #!1,3 to #2/R pairing bs

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8tb0, chain R (#2) with GPR61_BRIL_8tb7, chain R (#1), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  
Matchmaker 8tb0, chain R (#2) with 3sn6, chain A (#3), sequence alignment
score = 1487.5  
RMSD between 167 pruned atom pairs is 1.125 angstroms; (across all 219 pairs:
1.940)  
  

> matchmaker #!1,3 to #2/R pairing bs

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8tb0, chain R (#2) with GPR61_BRIL_8tb7, chain R (#1), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  
Matchmaker 8tb0, chain R (#2) with 3sn6, chain A (#3), sequence alignment
score = 1487.5  
RMSD between 167 pruned atom pairs is 1.125 angstroms; (across all 219 pairs:
1.940)  
  

> select #3/N

970 atoms, 992 bonds, 128 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #1/N

1746 atoms, 1764 bonds, 1 pseudobond, 117 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select #1/H

3275 atoms, 3324 bonds, 1 pseudobond, 222 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select #2/G#3/G

823 atoms, 835 bonds, 108 residues, 2 models selected  

> delete atoms sel

> delete bonds sel

> select #2/B#3/B

5131 atoms, 5226 bonds, 673 residues, 2 models selected  

> delete atoms sel

> delete bonds sel

> select #3/A

2814 atoms, 2870 bonds, 3 pseudobonds, 349 residues, 2 models selected  

> delete atoms (#!3 & sel)

> delete bonds (#!3 & sel)

> select #2/F

1780 atoms, 1826 bonds, 1 pseudobond, 233 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> select #1/L

3197 atoms, 3234 bonds, 212 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> ui tool show Matchmaker

> matchmaker #!2-3 to #1/R pairing bs

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 8tb0, chain R (#2), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 3sn6, chain R (#3), sequence
alignment score = 339.4  
RMSD between 134 pruned atom pairs is 1.200 angstroms; (across all 230 pairs:
5.318)  
  

> matchmaker #!2-3 to #1/R pairing bs

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 8tb0, chain R (#2), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 3sn6, chain R (#3), sequence
alignment score = 339.4  
RMSD between 134 pruned atom pairs is 1.200 angstroms; (across all 230 pairs:
5.318)  
  

> select #3/R

3460 atoms, 3533 bonds, 3 pseudobonds, 444 residues, 2 models selected  

> color (#!3 & sel) #e8652cff

> color (#!3 & sel) #eb652cff

> color (#!3 & sel) #ed652cff

> color (#!3 & sel) #ec642bff

> color (#!3 & sel) #ec622bff

> color (#!3 & sel) #ea5a2aff

> color (#!3 & sel) #e95629ff

> color (#!3 & sel) #e94e28ff

> color (#!3 & sel) #e84326ff

> color (#!3 & sel) #e73e25ff

[Repeated 2 time(s)]

> color (#!3 & sel) #e63d25ff

> color (#!3 & sel) #e63c25ff

[Repeated 2 time(s)]

> color (#!3 & sel) #e73a25ff

> color (#!3 & sel) #e93925ff

> color (#!3 & sel) #e93924ff

> color (#!3 & sel) #eb3c25ff

> color (#!3 & sel) #eb3d25ff

> color (#!3 & sel) #eb3f25ff

> color (#!3 & sel) #eb4025ff

> color (#!3 & sel) #eb4125ff

> color (#!3 & sel) #eb4927ff

> color (#!3 & sel) #ec5f2aff

> color (#!3 & sel) #ed6e2dff

> color (#!3 & sel) #f08a34ff

> color (#!3 & sel) #f19b38ff

> color (#!3 & sel) #efb23fff

> color (#!3 & sel) #ebad3fff

> color (#!3 & sel) #e4953dff

> color (#!3 & sel) #e08440ff

> color (#!3 & sel) #de7e40ff

[Repeated 1 time(s)]

> color (#!3 & sel) #de7e41ff

> color (#!3 & sel) #de7741ff

> color (#!3 & sel) #dd7643ff

> color (#!3 & sel) #dd7445ff

> color (#!3 & sel) #dc7445ff

> color (#!3 & sel) #dc7547ff

> color (#!3 & sel) #db7c56ff

> color (#!3 & sel) #db815fff

> color (#!3 & sel) #dc9578ff

> color (#!3 & sel) #dd997fff

> color (#!3 & sel) #dd9a7eff

> color (#!3 & sel) #dc9373ff

> color (#!3 & sel) #dc7c48ff

> color (#!3 & sel) #e47d36ff

> color (#!3 & sel) #e78736ff

> color (#!3 & sel) #fcec4fff

> color (#!3 & sel) #fdf451ff

> color (#!3 & sel) #fdfb54ff

> color (#!3 & sel) #eefb53ff

> color (#!3 & sel) #e4f652ff

[Repeated 1 time(s)]

> color (#!3 & sel) #e5f552ff

> color (#!3 & sel) #e3f052ff

> color (#!3 & sel) #e0ed56ff

> color (#!3 & sel) #d6ea5bff

> color (#!3 & sel) #d4ea5aff

> color (#!3 & sel) #d1e959ff

> color (#!3 & sel) #c8eb54ff

> color (#!3 & sel) #b9ed50ff

> color (#!3 & sel) #91f34dff

> color (#!3 & sel) #75f74cff

> color (#!3 & sel) #74f756ff

> color (#!3 & sel) #73f560ff

> color (#!3 & sel) #72f465ff

> color (#!3 & sel) #72f269ff

> color (#!3 & sel) #71f06cff

> color (#!3 & sel) #71f06dff

> color (#!3 & sel) #71ee6fff

[Repeated 1 time(s)]

> color (#!3 & sel) #71ee7dff

> color (#!3 & sel) #71ee95ff

> color (#!3 & sel) #72f28aff

> color (#!3 & sel) #75f963ff

> color (#!3 & sel) #6de84cff

> color (#!3 & sel) #68de48ff

> color (#!3 & sel) #66d946ff

> color (#!3 & sel) #61cd41ff

> color (#!3 & sel) #5abf3dff

> color (#!3 & sel) #5abf3cff

> color (#!3 & sel) #5abe3eff

> color (#!3 & sel) #5abe46ff

> color (#!3 & sel) #5dc664ff

> color (#!3 & sel) #62d195ff

> color (#!3 & sel) #67dec8ff

> color (#!3 & sel) #5ccaefff

> color (#!3 & sel) #4baaeeff

> color (#!3 & sel) #347eeeff

> color (#!3 & sel) #001df3ff

> color (#!3 & sel) #0018f4ff

[Repeated 5 time(s)]

> color (#!3 & sel) #0019f5ff

> color (#!3 & sel) #0019f3ff

> color (#!3 & sel) #001af3ff

> color (#!3 & sel) #001af1ff

> color (#!3 & sel) #001af2ff

> color (#!3 & sel) #011bf0ff

> color (#!3 & sel) #0e1deeff

> color (#!3 & sel) #1a20eaff

> color (#!3 & sel) #2427e8ff

> color (#!3 & sel) #2929e6ff

> color (#!3 & sel) #2522eaff

> color (#!3 & sel) #261bf1ff

> color (#!3 & sel) #351bf4ff

> color (#!3 & sel) #3e1cf3ff

> color (#!3 & sel) #461cf3ff

> color (#!3 & sel) #8226e8ff

> color (#!3 & sel) #9d2be8ff

> color (#!3 & sel) #a82de8ff

> color (#!3 & sel) #bf31f1ff

> color (#!3 & sel) #c131f5ff

> color (#!3 & sel) #c131f6ff

> color (#!3 & sel) #c231f6ff

> color (#!3 & sel) #c532f6ff

> color (#!3 & sel) #c732f5ff

> color (#!3 & sel) #c234edff

> color (#!3 & sel) #c335eeff

> color (#!3 & sel) #c437ebff

> color (#!3 & sel) #c73ee6ff

[Repeated 1 time(s)]

> color (#!3 & sel) #c33ee7ff

> color (#!3 & sel) #bb39e8ff

> color (#!3 & sel) #a22febff

> color (#!3 & sel) #8226f2ff

> color (#!3 & sel) #541ff1ff

> color (#!3 & sel) #4b1fe2ff

> color (#!3 & sel) #121db9ff

> color (#!3 & sel) #4b9d5bff

> color (#!3 & sel) #4c9f3fff

> color (#!3 & sel) #4c9f36ff

> color (#!3 & sel) #56a235ff

> color (#!3 & sel) #63a235ff

> color (#!3 & sel) #a1a339ff

> color (#!3 & sel) #ad5728ff

> color (#!3 & sel) #b73e25ff

> color (#!3 & sel) #c43324ff

> color (#!3 & sel) #ffffffff

> color (#!3 & sel) #ea332440

> color (#!3 & sel) #ea3424ff

> color (#!3 & sel) #eb3824ff

> color (#!3 & sel) #eb4826ff

> color (#!3 & sel) #ec5028ff

> color (#!3 & sel) #ec5228ff

[Repeated 1 time(s)]

> color (#!3 & sel) #ec5128ff

[Repeated 2 time(s)]

> color (#!3 & sel) #ec5028ff

[Repeated 1 time(s)]

> color (#!3 & sel) #ec4f28ff

> color (#!3 & sel) #e94b27ff

> color (#!3 & sel) #e74b28ff

[Repeated 1 time(s)]

> color (#!3 & sel) #e54b29ff

> color (#!3 & sel) #e34c2aff

> color (#!3 & sel) #e04b2dff

> color (#!3 & sel) #df4d30ff

> color (#!3 & sel) #de4a31ff

> color (#!3 & sel) #de4b33ff

> color (#!3 & sel) #db483aff

> color (#!3 & sel) #da483cff

> color (#!3 & sel) #da4a40ff

> color (#!3 & sel) #d94c44ff

> color (#!3 & sel) #d9534ded

> color (#!3 & sel) #d8554f36

> color (#!3 & sel) #ffffffff

> color (#!3 & sel) #d86d696d

> color (#!3 & sel) #d97673fe

> color (#!3 & sel) #da7b79c2

> color (#!3 & sel) #da7c799a

> color (#!3 & sel) #da7c79a4

> color (#!3 & sel) #da7b79ff

> color (#!3 & sel) #d97771ff

> color (#!3 & sel) #d96f67ff

> color (#!3 & sel) #d86a61ff

> color (#!3 & sel) #da5241ff

> color (#!3 & sel) #db4c39ff

> color (#!3 & sel) #dc4a38ff

> color (#!3 & sel) #dc4a37ff

> color (#!3 & sel) #dc4937ff

> color (#!3 & sel) #dd4734ff

> color (#!3 & sel) #dd4531ff

[Repeated 1 time(s)]

> color (#!3 & sel) #de4330ff

> color (#!3 & sel) #df422fff

> color (#!3 & sel) #df422eff

[Repeated 2 time(s)]

> color (#!3 & sel) #df422fff

> color (#!3 & sel) #de4430ff

> color (#!3 & sel) #dd4632ff

> color (#!3 & sel) #dd4835ff

> color (#!3 & sel) #dc4a37ff

> color (#!3 & sel) #db4c3aff

> color (#!3 & sel) #db4d3bff

> color (#!3 & sel) #db4e3bff

> color (#!3 & sel) #da5644ff

> color (#!3 & sel) #da5a47ff

> color (#!3 & sel) #d95f4aff

> color (#!3 & sel) #da644eff

> color (#!3 & sel) #d9664fff

> color (#!3 & sel) #da6950ff

> color (#!3 & sel) #da6a4fff

> color (#!3 & sel) #db784dff

> color (#!3 & sel) #dc7a4aff

> color (#!3 & sel) #dc7c4aff

> color (#!3 & sel) #de884aff

> color (#!3 & sel) #df954bff

> color (#!3 & sel) #e0994bff

[Repeated 1 time(s)]

> color (#!3 & sel) #e09e4cff

> color (#!3 & sel) #e1a04cff

[Repeated 2 time(s)]

> color (#!3 & sel) #e19f4cff

> color (#!3 & sel) #e19c4bff

> color (#!3 & sel) #e19343ff

> color (#!3 & sel) #e18e40ff

> color (#!3 & sel) #e28b3dff

> color (#!3 & sel) #e3863aff

> color (#!3 & sel) #e38539ff

> color (#!3 & sel) #e48538ff

> color (#!3 & sel) #e48537ff

> color (#!3 & sel) #e58337ff

> color (#!3 & sel) #e58336ff

> color (#!3 & sel) #e58236ff

> color (#!3 & sel) #e78134ff

[Repeated 1 time(s)]

> color (#!3 & sel) #e88134ff

> color (#!3 & sel) #ec7f32ff

[Repeated 3 time(s)]

> color (#!3 & sel) #ed7f31ff

[Repeated 1 time(s)]

> color (#!3 & sel) #ed7e31ff

> color (#!3 & sel) #ef7f31ff

> color (#!3 & sel) #ef8432ff

> color (#!3 & sel) #ee8432ff

[Repeated 3 time(s)]

> color (#!3 & sel) #ed8532ff

> color (#!3 & sel) #ed8432ff

[Repeated 1 time(s)]

> color (#!3 & sel) #ed8533ff

> color (#!3 & sel) #ee8a34ff

> color (#!3 & sel) #ee8b34ff

[Repeated 1 time(s)]

> color (#!3 & sel) #ef8e35ff

> color (#!3 & sel) #ef9135ff

> color (#!3 & sel) #f09637ff

> color (#!3 & sel) #f09a38ff

> color (#!3 & sel) #f2a13aff

> color (#!3 & sel) #f3a93cff

[Repeated 1 time(s)]

> color (#!3 & sel) #f3af3eff

> color (#!3 & sel) #f6c644ff

> color (#!3 & sel) #f7c945ff

> color (#!3 & sel) #fbe94eff

> color (#!3 & sel) #faec4fff

> color (#!3 & sel) #f8ec4fff

> color (#!3 & sel) #f8eb4fff

> color (#!3 & sel) #f8ea4fff

> color (#!3 & sel) #f8e94fff

[Repeated 1 time(s)]

> color (#!3 & sel) #f8e44dff

> color (#!3 & sel) #f6d248ff

> color (#!3 & sel) #f5d047ff

[Repeated 1 time(s)]

> color (#!3 & sel) #f6d047ff

> color (#!3 & sel) #f5ca45ff

> color (#!3 & sel) #f4bd41ff

> color (#!3 & sel) #f4b840ff

[Repeated 3 time(s)]

> color (#!3 & sel) #f4b53fff

> color (#!3 & sel) #f4b23eff

[Repeated 2 time(s)]

> color (#!3 & sel) #f3af3eff

> color (#!3 & sel) #f3ae3dff

[Repeated 1 time(s)]

> color (#!3 & sel) #f2ae3dff

> color (#!3 & sel) #f2a93cff

> color (#!3 & sel) #efa83cff

> color (#!3 & sel) #eea73cff

> color (#!3 & sel) #eda83cff

> color (#!3 & sel) #eda73cff

> color (#!3 & sel) #eda63bff

> color (#!3 & sel) #eca63bff

> color (#!3 & sel) #eca53bff

[Repeated 1 time(s)]

> color (#!3 & sel) #eba63bff

[Repeated 1 time(s)]

> color (#!3 & sel) #eba93cff

[Repeated 1 time(s)]

> color (#!3 & sel) #eaac3dff

> color (#!3 & sel) #e7ab3cff

> color (#!3 & sel) #e7ab3dff

> color (#!3 & sel) #e5aa3cff

> color (#!3 & sel) #e1a73cff

> color (#!3 & sel) #d1a13aff

> color (#!3 & sel) #c89c38ff

> color (#!3 & sel) #c49b38ff

> color (#!3 & sel) #c19938ff

> color (#!3 & sel) #af8c34ff

> color (#!3 & sel) #ac8a33ff

> color (#!3 & sel) #aa8933ff

> color (#!3 & sel) #a98832ff

> color (#!3 & sel) #a78632ff

[Repeated 1 time(s)]

> color (#!3 & sel) #a68131ff

> color (#!3 & sel) #a6782fff

> color (#!3 & sel) #a66c2cff

> color (#!3 & sel) #ab5a29ff

[Repeated 2 time(s)]

> color (#!3 & sel) #ac5929ff

> color (#!3 & sel) #af5a29ff

> color (#!3 & sel) #ba602bff

> color (#!3 & sel) #cd682cff

> color (#!3 & sel) #cf672cff

> color (#!3 & sel) #d4692dff

> color (#!3 & sel) #e06a2dff

> color (#!3 & sel) #e26b2dff

> color (#!3 & sel) #e5692dff

> color (#!3 & sel) #e7682cff

[Repeated 1 time(s)]

> color (#!3 & sel) #e8662cff

> color (#!3 & sel) #e8642cff

> color (#!3 & sel) #e9642cff

> color (#!3 & sel) #ea642cff

> color (#!3 & sel) #ea632bff

[Repeated 1 time(s)]

> color (#!3 & sel) #eb642bff

> color (#!3 & sel) #eb622bff

> color (#!3 & sel) #ec612bff

> color (#!3 & sel) #eb5e2aff

> color (#!3 & sel) #ec5a29ff

[Repeated 1 time(s)]

> color (#!3 & sel) #ec5829ff

> color (#!3 & sel) #ec5529ff

> color (#!3 & sel) #ec5528ff

> color (#!3 & sel) #eb5228ff

> color (#!3 & sel) #eb5128ff

> color (#!3 & sel) #eb5228ff

> color (#!3 & sel) #ea5128ff

> color (#!3 & sel) #ea5229ff

> color (#!3 & sel) #ea5329ff

> color (#!3 & sel) #e7542aff

> color (#!3 & sel) #e5572bff

> color (#!3 & sel) #e4592cff

> color (#!3 & sel) #e25a2fff

> color (#!3 & sel) #e05c31ff

> color (#!3 & sel) #df5e34ff

> color (#!3 & sel) #dd5f3aff

> color (#!3 & sel) #dc603cff

> color (#!3 & sel) #db6442ff

> color (#!3 & sel) #db6444ff

> color (#!3 & sel) #da6448ff

> color (#!3 & sel) #da664bff

> color (#!3 & sel) #da684eff

> color (#!3 & sel) #d96a51ff

> color (#!3 & sel) #d96c53ff

> color (#!3 & sel) #d9715eff

> color (#!3 & sel) #d97260ff

> color (#!3 & sel) #d97362ff

> color (#!3 & sel) #d97264ff

[Repeated 1 time(s)]

> color (#!3 & sel) #d97164ff

> color (#!3 & sel) #d97266ff

> color (#!3 & sel) #d97066ff

> color (#!3 & sel) #d97266ff

> color (#!3 & sel) #d97267ff

> color (#!3 & sel) #d97367ff

> ui mousemode right select

> select clear

[Repeated 2 time(s)]

> open 2RH1

2rh1 title:  
High resolution crystal structure of human B2-adrenergic G protein-coupled
receptor. [more info...]  
  
Chain information for 2rh1 #4  
---  
Chain | Description | UniProt  
A | beta-2-adrenergic receptor/T4-lysozyme chimera | ADRB2_HUMAN 1-230 263-365, LYS_BPT4 1002-1161  
  
Non-standard residues in 2rh1 #4  
---  
12P — dodecaethylene glycol (polyethylene glycol PEG400)  
ACM — acetamide  
BU1 — 1,4-butanediol  
CAU — (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
((S)-Carazolol)  
CLR — cholesterol  
GLC — alpha-D-glucopyranose (alpha-D-glucose; D-glucose; glucose)  
PLM — palmitic acid  
SO4 — sulfate ion  
  

> select add #4

3804 atoms, 3842 bonds, 507 residues, 1 model selected  

> show sel cartoons

> hide sel atoms

> ui tool show Matchmaker

> matchmaker #4#!1,3 to #2/R pairing bs

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8tb0, chain R (#2) with 2rh1, chain A (#4), sequence alignment
score = 320.5  
RMSD between 104 pruned atom pairs is 1.311 angstroms; (across all 244 pairs:
3.824)  
  
Matchmaker 8tb0, chain R (#2) with GPR61_BRIL_8tb7, chain R (#1), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  
Matchmaker 8tb0, chain R (#2) with 3sn6, chain R (#3), sequence alignment
score = 428  
RMSD between 144 pruned atom pairs is 1.295 angstroms; (across all 245 pairs:
2.972)  
  

> matchmaker #4#!1,3 to #2/R pairing bs

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8tb0, chain R (#2) with 2rh1, chain A (#4), sequence alignment
score = 320.5  
RMSD between 104 pruned atom pairs is 1.311 angstroms; (across all 244 pairs:
3.824)  
  
Matchmaker 8tb0, chain R (#2) with GPR61_BRIL_8tb7, chain R (#1), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  
Matchmaker 8tb0, chain R (#2) with 3sn6, chain R (#3), sequence alignment
score = 428  
RMSD between 144 pruned atom pairs is 1.295 angstroms; (across all 245 pairs:
2.972)  
  

> select clear

> open 2RH1

2rh1 title:  
High resolution crystal structure of human B2-adrenergic G protein-coupled
receptor. [more info...]  
  
Chain information for 2rh1 #5  
---  
Chain | Description | UniProt  
A | beta-2-adrenergic receptor/T4-lysozyme chimera | ADRB2_HUMAN 1-230 263-365, LYS_BPT4 1002-1161  
  
Non-standard residues in 2rh1 #5  
---  
12P — dodecaethylene glycol (polyethylene glycol PEG400)  
ACM — acetamide  
BU1 — 1,4-butanediol  
CAU — (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
((S)-Carazolol)  
CLR — cholesterol  
GLC — alpha-D-glucopyranose (alpha-D-glucose; D-glucose; glucose)  
PLM — palmitic acid  
SO4 — sulfate ion  
  

> close #5

> open 2RH1

2rh1 title:  
High resolution crystal structure of human B2-adrenergic G protein-coupled
receptor. [more info...]  
  
Chain information for 2rh1 #5  
---  
Chain | Description | UniProt  
A | beta-2-adrenergic receptor/T4-lysozyme chimera | ADRB2_HUMAN 1-230 263-365, LYS_BPT4 1002-1161  
  
Non-standard residues in 2rh1 #5  
---  
12P — dodecaethylene glycol (polyethylene glycol PEG400)  
ACM — acetamide  
BU1 — 1,4-butanediol  
CAU — (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
((S)-Carazolol)  
CLR — cholesterol  
GLC — alpha-D-glucopyranose (alpha-D-glucose; D-glucose; glucose)  
PLM — palmitic acid  
SO4 — sulfate ion  
  

> close #5

Drag select of 21 residues  

> select clear

[Repeated 1 time(s)]

> ui mousemode right translate

> preset cartoons/nucleotides licorice/ovals

Using preset: Cartoons/Nucleotides / Licorice/Ovals  
Changed 3433 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh default arrows f x round width 1 thick 1
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides tube/slab shape ellipsoid

  

> preset cartoons/nucleotides cylinders/stubs

Using preset: Cartoons/Nucleotides / Cylinders/Stubs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh tube rad 2 sides 24 thick 0.6
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides stubs

  

> preset cartoons/nucleotides ribbons/slabs

Using preset: Cartoons/Nucleotides / Ribbons/Slabs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    nucleotides tube/slab shape box

  

> ui mousemode right select

> select #4/A:1161

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select clear

Drag select of 34 residues  

> delete atoms sel

> delete bonds sel

> undo

Undo failed, probably because structures have been modified.  
Drag select of 21 residues  

> delete atoms sel

> delete bonds sel

Drag select of 5 residues  
Drag select of 39 residues  

> delete atoms sel

> delete bonds sel

Drag select of 63 residues, 4 pseudobonds  

> delete atoms (#!2,4 & sel)

> delete bonds (#!2,4 & sel)

> hide #!1 models

Drag select of 162 residues, 10 pseudobonds  

> delete atoms (#!2,4 & sel)

> delete bonds (#!2,4 & sel)

Drag select of 3 residues  

> delete atoms sel

> delete bonds sel

Drag select of 1 pseudobonds  
No visible atoms or bonds selected  
Drag select of 21 residues, 1 pseudobonds  

> delete atoms (#!2,4 & sel)

> delete bonds (#!2,4 & sel)

> select clear

> select #4/A:1102

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #4/A:1101

16 atoms, 14 bonds, 2 residues, 1 model selected  

> select add #4/A:1146

21 atoms, 18 bonds, 1 pseudobond, 3 residues, 2 models selected  

> select add #4/A:1149

28 atoms, 24 bonds, 1 pseudobond, 4 residues, 2 models selected  

> select add #4/A:1147

37 atoms, 32 bonds, 2 pseudobonds, 5 residues, 3 models selected  

> select add #4/A:1145

48 atoms, 42 bonds, 2 pseudobonds, 6 residues, 3 models selected  

> select add #4/A:1144

56 atoms, 49 bonds, 2 pseudobonds, 7 residues, 3 models selected  

> delete atoms (#!4 & sel)

> delete bonds (#!4 & sel)

> select clear

[Repeated 1 time(s)]Drag select of 3 residues, 1 pseudobonds  

> delete atoms (#!4 & sel)

> delete bonds (#!4 & sel)

> select clear

[Repeated 1 time(s)]Drag select of 2 pseudobonds  

> hide #!2-4 cartoons

> undo

Drag select of 11 residues  

> select clear

> select #4/A:1010

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #4/A:1009

16 atoms, 14 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select clear

> select #2/R:1809

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #2/R:1810

9 atoms, 7 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> ui mousemode right translate

> ui mousemode right select

Drag select of 158 residues, 1 pseudobonds  

> delete atoms (#!3 & sel)

> delete bonds (#!3 & sel)

Drag select of 1 pseudobonds  
No visible atoms or bonds selected  

> hide #!2-4 cartoons

> show #!2-4 cartoons

> select clear

[Repeated 1 time(s)]Drag select of 6 residues  

> select clear

> ui mousemode right translate

> lighting soft

> lighting simple

[Repeated 1 time(s)]

> lighting soft

> save "/Users/dongju/Desktop/Research projects-Monash/NRE/All Figures-
> draft/Figure 7D-GPR61-BRIL fused structure v2.cxs"

——— End of log from Thu Apr 4 16:40:01 2024 ———

opened ChimeraX session  

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!4 models

> hide #!3 models

> ui tool show "Side View"

> select ligand

302 atoms, 307 bonds, 19 residues, 3 models selected  

> select #1 ligand

Expected a keyword  

> select #1:ligand

Nothing selected  

> select #2:ligand

Nothing selected  

> select #3:ligand

Nothing selected  

> select #4:ligand

Nothing selected  

> select liand

Expected an objects specifier or a keyword  

> select ligand

302 atoms, 307 bonds, 19 residues, 3 models selected  

> show sel & #!1 atoms

> color (#!1 & sel) dark gray

> color (#!1 & sel) dim gray

> color (#!1 & sel) byhetero

> select clear

> show #!3 models

> show #!4 models

> hide #!2 models

> hide #!3 models

> hide #!4 models

> show #!2 models

> show #!4 models

> hide #!4 models

> show #!3 models

> show #!4 models

> hide #!3 models

> hide #!4 models

> ui tool show "Show Sequence Viewer"

> sequence chain #1/R

Alignment identifier is 1/R  

> select #1/R:286

12 atoms, 11 bonds, 1 residue, 1 model selected  

> select
> #1/R:54-78,85-108,125-160,164-188,216-266,269-288,302-326,331-349,365-392,403-424

4407 atoms, 4449 bonds, 275 residues, 1 model selected  

> select clear

> select #1/R:354

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select #1/R:354

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select #1/R:225-354

2086 atoms, 2101 bonds, 130 residues, 1 model selected  

> select clear

> hide #!1 models

> show #!1 models

> select ligand

302 atoms, 307 bonds, 19 residues, 3 models selected  

> color (#!1 & sel) yellow

> color (#!1 & sel) #eae15aff

> color (#!1 & sel) #e9db5cff

> color (#!1 & sel) #e7d960ff

> color (#!1 & sel) #e6d865ff

> color (#!1 & sel) #e7d868ff

> color (#!1 & sel) #e7d86bff

> color (#!1 & sel) #e6d672ff

> color (#!1 & sel) #e5d47eff

> color (#!1 & sel) #e5d580ff

> color (#!1 & sel) #e6d788ff

> color (#!1 & sel) #e8dc92ff

> color (#!1 & sel) #e8dc94ff

> color (#!1 & sel) #e8dc96ff

> color (#!1 & sel) #e8dd99ff

> color (#!1 & sel) #e9dc9dff

> color (#!1 & sel) #e9dc9eff

> color (#!1 & sel) #e9dfa3ff

> color (#!1 & sel) #eae0a3ff

> color (#!1 & sel) #eae0a4ff

> color (#!1 & sel) #eae1a3ff

> color (#!1 & sel) #e9e0a2ff

> color (#!1 & sel) #eae1a2ff

> color (#!1 & sel) #e9e0a2ff

> color (#!1 & sel) #e9dfa2ff

> color (#!1 & sel) #e9dca3ff

> color (#!1 & sel) #e9daa5ff

> color (#!1 & sel) #e9d9a5ff

> color (#!1 & sel) #e8d6a2ff

> color (#!1 & sel) #e6d399ff

> color (#!1 & sel) #e5cc87ff

> color (#!1 & sel) #e4cb81ff

> color (#!1 & sel) #e3c97eff

> color (#!1 & sel) #e3c87bff

> color (#!1 & sel) #e3c875ff

> color (#!1 & sel) #e3c873ff

> color (#!1 & sel) #e3c76aff

[Repeated 1 time(s)]

> color (#!1 & sel) #e4c669ff

> color (#!1 & sel) #e4c769ff

> color (#!1 & sel) #e4c868ff

> color (#!1 & sel) #e4ca68ff

> color (#!1 & sel) #e4c968ff

> color (#!1 & sel) #e4ca66ff

> color (#!1 & sel) #e4ca64ff

> color (#!1 & sel) #e4c962ff

> color (#!1 & sel) #e4ca63ff

> color (#!1 & sel) #e5cc63ff

> color (#!1 & sel) #e5cd63ff

> color (#!1 & sel) #e5ce63ff

> color (#!1 & sel) #e5d066ff

> color (#!1 & sel) #e6d46aff

[Repeated 1 time(s)]

> color (#!1 & sel) #e6d46bff

> color (#!1 & sel) #e5d66eff

> color (#!1 & sel) #e5d66fff

> color (#!1 & sel) #e5d670ff

> color (#!1 & sel) #e6d571ff

> color (#!1 & sel) #e6d673ff

> color (#!1 & sel) #e6d877ff

> color (#!1 & sel) #e6d879ff

> color (#!1 & sel) #e6dc7dff

> color (#!1 & sel) #e7db7fff

> color (#!1 & sel) #e6dc80ff

[Repeated 1 time(s)]

> color (#!1 & sel) #e6dd80ff

[Repeated 1 time(s)]

> color (#!1 & sel) #e7dd80ff

> color (#!1 & sel) #e7dd7fff

> color (#!1 & sel) #e7dd7eff

> color (#!1 & sel) #e6dd7dff

> color (#!1 & sel) #e6dc7cff

> color (#!1 & sel) #e6da76ff

> color (#!1 & sel) #e6d973ff

> color (#!1 & sel) #e6d972ff

> color (#!1 & sel) #e6d772ff

> color (#!1 & sel) #e6d771ff

> color (#!1 & sel) #e5d770ff

> color (#!1 & sel) #e5d76fff

> color (#!1 & sel) #e5d76eff

> color (#!1 & sel) #e6d56cff

> color (#!1 & sel) #e6d46bff

> color (#!1 & sel) #e6d56bff

> color (#!1 & sel) #e6d56aff

[Repeated 2 time(s)]

> color (#!1 & sel) #e6d469ff

> color (#!1 & sel) #e6d467ff

> color (#!1 & sel) #e6d466ff

> color (#!1 & sel) #e6d366ff

> color (#!1 & sel) #e6d365ff

> color (#!1 & sel) #e6d364ff

> color (#!1 & sel) #e6d463ff

> color (#!1 & sel) #e7d460ff

[Repeated 2 time(s)]

> color (#!1 & sel) #e7d45fff

[Repeated 2 time(s)]

> color (#!1 & sel) byhetero

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 7/Figure7C.cxs"

> open 8KGK

8kgk title:  
Cryo-EM structure of the GPR61-Gs complex [more info...]  
  
Chain information for 8kgk #5  
---  
Chain | Description | UniProt  
A | G-protein coupled receptor 61 | GPR61_HUMAN 1-365  
B | Guanine nucleotide-binding protein G(olf) subunit alpha,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | GNAL_HUMAN 5-195, GNAS2_HUMAN 204-384  
C | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 2-340  
D | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
E | Nanobody 35 |   
  

> ui tool show Matchmaker

> matchmaker #!2-5 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 8tb0, chain R (#2), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 3sn6, chain R (#3), sequence
alignment score = 339.4  
RMSD between 134 pruned atom pairs is 1.200 angstroms; (across all 230 pairs:
5.318)  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 2rh1, chain A (#4), sequence
alignment score = 372.2  
RMSD between 106 pruned atom pairs is 1.222 angstroms; (across all 221 pairs:
4.766)  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 8kgk, chain A (#5), sequence
alignment score = 1320.5  
RMSD between 188 pruned atom pairs is 0.925 angstroms; (across all 219 pairs:
1.672)  
  

> matchmaker #!2-5 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 8tb0, chain R (#2), sequence
alignment score = 1623.9  
RMSD between 186 pruned atom pairs is 0.977 angstroms; (across all 217 pairs:
1.770)  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 3sn6, chain R (#3), sequence
alignment score = 339.4  
RMSD between 134 pruned atom pairs is 1.200 angstroms; (across all 230 pairs:
5.318)  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 2rh1, chain A (#4), sequence
alignment score = 372.2  
RMSD between 106 pruned atom pairs is 1.222 angstroms; (across all 221 pairs:
4.766)  
  
Matchmaker GPR61_BRIL_8tb7, chain R (#1) with 8kgk, chain A (#5), sequence
alignment score = 1320.5  
RMSD between 188 pruned atom pairs is 0.925 angstroms; (across all 219 pairs:
1.672)  
  

> show #!1-2,5 atoms

> undo

> show #!1-2,5 cartoons

> select add #5

7470 atoms, 7626 bonds, 4 pseudobonds, 1006 residues, 2 models selected  

> hide sel atoms

> show sel atoms

> style sel stick

Changed 7470 atom styles  

> hide sel atoms

> select clear

> select #5/D

353 atoms, 359 bonds, 56 residues, 1 model selected  

> hide sel cartoons

> select #5/E

928 atoms, 949 bonds, 126 residues, 1 model selected  

> hide sel cartoons

> select #5/D

353 atoms, 359 bonds, 56 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #5/C

2497 atoms, 2544 bonds, 339 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #5/E

928 atoms, 949 bonds, 126 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #5/B

1804 atoms, 1841 bonds, 1 pseudobond, 229 residues, 2 models selected  

> delete atoms (#!5 & sel)

> delete bonds (#!5 & sel)

> select clear

> color #5 #e4c398ff

> color #5 #eae7a0ff

> color #5 #e2b09cff

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 7/Figure7D.cxs"

——— End of log from Thu May 30 20:40:46 2024 ———

opened ChimeraX session  

> transparency 80 ribbons

> select
> #1/R:54-78,85-108,125-160,164-188,216-266,269-288,302-326,331-349,365-392,403-424

4407 atoms, 4449 bonds, 275 residues, 1 model selected  

> select #1/R:137

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select #1/R:137

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select #1/R:346

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #1/R:346

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #1/R:149

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select #1/R:149

24 atoms, 23 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 24 atom styles  

> select #1/R:426

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #1/R:426

14 atoms, 13 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 14 atom styles  

> select #1/R:146

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #1/R:146

14 atoms, 13 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 14 atom styles  
Drag select of 2 residues  

> select clear

> color #1-2,5 byhetero

> select clear

> select #1/R:146

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select add #1/R:426

28 atoms, 26 bonds, 2 residues, 1 model selected  

> select add #1/R:149

52 atoms, 49 bonds, 3 residues, 1 model selected  

> ribbon sel suppressBackboneDisplay true

> ribbon sel suppressBackboneDisplay false

> true

Unknown command: true  

> select H

2677 atoms, 329 residues, 1 model selected  

> hide sel atoms

> select clear

> select #1/R:149@NH2

1 atom, 1 residue, 1 model selected  

> ui tool show H-Bonds

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true
    
    
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	1 GPR61_BRIL_8tb7
    
    0 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    

  
0 hydrogen bonds found  

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true

Atom specifier selects no atoms  

> select #1/R:426

14 atoms, 13 bonds, 1 residue, 1 model selected  

> ui tool show H-Bonds

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true
    
    
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	1 GPR61_BRIL_8tb7
    
    2 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    GPR61_BRIL_8tb7 #1/R ASN 426 ND2  GPR61_BRIL_8tb7 #1/R ZOB 601 O16  GPR61_BRIL_8tb7 #1/R ASN 426 HD21  3.516  2.918
    GPR61_BRIL_8tb7 #1/R ASN 426 ND2  GPR61_BRIL_8tb7 #1/R ZOB 601 O17  GPR61_BRIL_8tb7 #1/R ASN 426 HD21  2.909  2.040
    

  
2 hydrogen bonds found  

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true
    
    
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	1 GPR61_BRIL_8tb7
    
    3 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    GPR61_BRIL_8tb7 #1/R ASN 426 ND2  GPR61_BRIL_8tb7 #1/R ZOB 601 O16  GPR61_BRIL_8tb7 #1/R ASN 426 HD21  3.516  2.918
    GPR61_BRIL_8tb7 #1/R ASN 426 ND2  GPR61_BRIL_8tb7 #1/R ZOB 601 O17  GPR61_BRIL_8tb7 #1/R ASN 426 HD21  2.909  2.040
    GPR61_BRIL_8tb7 #1/R HOH 701 O    GPR61_BRIL_8tb7 #1/R ZOB 601 O17  no hydrogen                        2.261  N/A
    

  
3 hydrogen bonds found  

> select clear

> ui tool show "Side View"

> transparency 100 ribbons

> transparency 80 ribbons

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 7/Figure7C_antagonist binding.png" width
> 2000 height 1521 supersample 3 transparentBackground true

> hide #!1 models

> show #!1 models

> select
> #1/R:54-78,85-108,125-160,164-188,216-266,269-288,302-326,331-349,365-392,403-424

4407 atoms, 4449 bonds, 275 residues, 1 model selected  

> select clear

> ui tool show "Show Sequence Viewer"

> sequence chain #2/R

Alignment identifier is 2/R  

> select #1/R:146

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #1/R:146

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #2/R:137

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/R:137

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select
> #1/R:54-78,85-108,125-160,164-188,216-266,269-288,302-326,331-349,365-392,403-424

4407 atoms, 4449 bonds, 275 residues, 1 model selected  

> select #1/R:149

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select #1/R:149

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select #1/R:426

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #1/R:426

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select
> #2/R:46-68,70-101,114-145,148-180,202-237,284-313,321-342,345-353,1728-1846

1788 atoms, 1826 bonds, 1 pseudobond, 226 residues, 2 models selected  

> close session

> open 7xz5

7xz5 title:  
GPR119-Gs-LPC complex [more info...]  
  
Chain information for 7xz5 #1  
---  
Chain | Description | UniProt  
A | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short |   
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 2-340  
G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
N | Nanobody35 |   
R | Soluble cytochrome b562,Glucose-dependent insulinotropic receptor | C562_ECOLX -121--17, GP119_HUMAN 1-335  
  
Non-standard residues in 7xz5 #1  
---  
LSC —
(4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium
4-oxide  
  

> style stick

Changed 16508 atom styles  

> hide atoms

> show cartoons

> select /A/B/G/N

11812 atoms, 11923 bonds, 2 pseudobonds, 760 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> color #1 #e43426ff

> color #1 #db4739ff

> color #1 #e83624ff

> color #1 #db3624ff

> color #1 #c73725ff

> color #1 #e53424ff

> color #1 #bb3124ff

> color #1 #b23023ff

> color #1 #c23324ff

> color #1 #b23023ff

> color #1 #b23323ff

> color #1 #a82c23ff

> color #1 #b93123ff

> color #1 #c91a07ff

> color #1 #b11707ff

> color #1 #bb1807ff

> color #1 #af1707ff

> color #1 #ac1606ff

> color #1 #a91606ff

> color #1 #be1807ff

> color #1 #be1000ff

> color #1 #be0e00ff

> color #1 #ab0d00ff

> color #1 #a90d00ff

> open /Users/dongju/Downloads/emd_33525_7xz5.map

Opened emd_33525_7xz5.map as #2, grid size 200,200,200, pixel 1.07, shown at
level 0.0158, step 1, values float32  

> volume #2 level 0.02079

> fitmap #1 inMap #2

Fit molecule 7xz5 (#1) to map emd_33525_7xz5.map (#2) using 4696 atoms  
average map value = 0.02279, steps = 40  
shifted from previous position = 0.0482  
rotated from previous position = 0.208 degrees  
atoms outside contour = 2544, contour level = 0.020794  
  
Position of 7xz5 (#1) relative to emd_33525_7xz5.map (#2) coordinates:  
Matrix rotation and translation  
0.99999353 0.00337605 -0.00124113 -0.23274448  
-0.00337657 0.99999421 -0.00041941 0.38358314  
0.00123971 0.00042360 0.99999914 -0.16257974  
Axis 0.11638676 -0.34250927 -0.93227760  
Axis point 112.78332959 68.91815420 0.00000000  
Rotation angle (degrees) 0.20750123  
Shift along axis -0.00689971  
  

> color #2 #829abfff models

> color #2 #95bfe5ff models

> volume style image

[Repeated 1 time(s)]

> volume style surface

> transparency 50

> surface dust #2 size 10.7

> select ligand

87 atoms, 86 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 87 atom styles  

> color sel #8db9e4ff

> color sel #8ab5e4ff

> color sel #88b4e3ff

> color sel #84b1e3ff

> color sel #7dade2ff

> color sel #7cace2ff

> color sel #7aabe2ff

> color sel #78a9e2ff

> color sel #78aae2ff

[Repeated 1 time(s)]

> color sel #78a9e2ff

[Repeated 1 time(s)]

> color sel #78a6e2ff

> color sel #77a6e2ff

[Repeated 1 time(s)]

> color sel #77a4e2ff

> color sel #77a3e2ff

> color sel #76a0e2ff

> color sel #779fe2ff

> color sel #769be1ff

> color sel #7699e1ff

> color sel #7798e1ff

> color sel #7695e1ff

> color sel #7997e2ff

> color sel #7996e1ff

[Repeated 1 time(s)]

> color sel #7993e1ff

[Repeated 1 time(s)]

> color sel #7891e1ff

> color sel #7791e1ff

> color sel #748de1ff

> color sel #6d88e1ff

> color sel #6a86e1ff

> color sel #6884e1ff

> color sel #6783e0ff

> color sel #6782e0ff

> color sel #6682e0ff

> color sel #6581e0ff

> color sel #6481e0ff

[Repeated 1 time(s)]

> color sel #617fe0ff

> color sel #5e7de0ff

> color sel #5a7ae0ff

> color sel #5777e1ff

> color sel #5475e1ff

> color sel #4e71e2ff

> color sel #4b6fe2ff

> color sel #4a6de1ff

> color sel #486ce2ff

> color sel #476be1ff

> color sel #456ae2ff

> color sel #4368e2ff

> color sel #4066e3ff

> color sel #3f65e3ff

> color sel #3e64e3ff

> color sel #3d63e3ff

> color sel #3b62e3ff

> color sel #3a62e3ff

[Repeated 1 time(s)]

> color sel #3961e4ff

> color sel #3860e4ff

> color sel #375fe4ff

> color sel #355ce4ff

> color sel #345be5ff

> color sel #335be5ff

> color sel #325ae5ff

> color sel #315ae5ff

> color sel #3159e5ff

> color sel #305ae5ff

> color sel #2f5ae6ff

> color sel #2e59e6ff

> color sel #2d5ae7ff

[Repeated 1 time(s)]

> color sel #2c59e7ff

> color sel #2b58e7ff

> color sel #2b58e8ff

> color sel #2957e7ff

> color sel #2857e8ff

> color sel #2856e8ff

> color sel #2756e9ff

> color sel #2655e8ff

> color sel #2654e9ff

> color sel #2554e9ff

[Repeated 1 time(s)]

> color sel #2554eaff

> color sel #2554e9ff

> color sel #2759eaff

> color sel #285beaff

> color sel #2c63eaff

> color sel #2c64eaff

> color sel #2d66eaff

[Repeated 1 time(s)]

> color sel #2f69ebff

[Repeated 1 time(s)]

> color sel #2f6aebff

> color sel #3372ebff

> color sel #3373ebff

> color sel #3474ebff

> color sel #3576ebff

> color sel #387cebff

> color sel byhetero

> select ~sel & ##selected

4609 atoms, 4664 bonds, 1 pseudobond, 292 residues, 2 models selected  

> hide sel cartoons

> show sel cartoons

> select clear

> select ligand

87 atoms, 86 bonds, 1 residue, 1 model selected  

> select H

2402 atoms, 293 residues, 1 model selected  

> hide sel atoms

> select clear

> hide cartoons

> ui mousemode right "map eraser"

> volume erase #2 center 98.213,117.33,82.726 radius 15.569 outside true

Opened emd_33525_7xz5.map copy as #4, grid size 200,200,200, pixel 1.07, shown
at step 1, values float32  

> volume erase #4 center 99.634,96.291,77.937 radius 15.529

> volume erase #4 center 81.449,107.72,86.478 radius 15.529

> volume erase #4 center 86.376,106.33,90.936 radius 15.529

> volume erase #4 center 110.95,133.83,84.039 radius 15.529

> volume erase #4 center 101.08,108.57,100.43 radius 15.529

> volume erase #4 center 111.29,112.72,96.933 radius 15.529

> volume erase #4 center 116.67,108.27,82.34 radius 15.529

> volume erase #4 center 115.72,109.16,85.984 radius 15.529

> undo

[Repeated 9 time(s)]

> hide #!1 models

> show #!1 models

> hide sel cartoons

> hide #!4 models

> show #!4 models

> close #4

> show #!2 models

> volume erase #2 center 98.575,122.65,81.082 radius 14.458 outside true

Opened emd_33525_7xz5.map copy as #4, grid size 200,200,200, pixel 1.07, shown
at step 1, values float32  

> close #4

> show #!2 models

> volume erase #2 center 99.341,121.03,81.417 radius 17.993 outside true

Opened emd_33525_7xz5.map copy as #4, grid size 200,200,200, pixel 1.07, shown
at step 1, values float32  

> volume erase #4 center 110.79,124.48,90.565 radius 8.1396

> volume erase #4 center 110.84,122.75,82.866 radius 8.1396

> volume erase #4 center 109.8,120.88,75.103 radius 8.1396

> volume erase #4 center 110.45,116.63,74.645 radius 8.1396

> volume erase #4 center 98.611,132.52,71.034 radius 8.1396

> volume erase #4 center 101.33,130.98,76.631 radius 8.1396

> volume erase #4 center 101.74,127.44,71.519 radius 8.1396

> volume erase #4 center 87.562,133.37,74.695 radius 8.1396

> hide #!1 models

> show #!1 models

> show sel cartoons

> ui tool show "Show Sequence Viewer"

> sequence chain /R

Alignment identifier is 1/R  

> select /R:157

20 atoms, 20 bonds, 1 residue, 1 model selected  

> select /R:157

20 atoms, 20 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 20 atom styles  

> select /R:265

24 atoms, 25 bonds, 1 residue, 1 model selected  

> show sel atoms

> select /R:241

20 atoms, 20 bonds, 1 residue, 1 model selected  

> select /R:241

20 atoms, 20 bonds, 1 residue, 1 model selected  

> show sel atoms

> select /R:82

17 atoms, 16 bonds, 1 residue, 1 model selected  

> select /R:82

17 atoms, 16 bonds, 1 residue, 1 model selected  

> show sel atoms

> select /R:85

16 atoms, 15 bonds, 1 residue, 1 model selected  

> select /R:85

16 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel atoms

> select /R:82,85

33 atoms, 31 bonds, 2 residues, 1 model selected  

> select /R:82,85,157

53 atoms, 51 bonds, 3 residues, 1 model selected  

> select /R:82,85,157,241

73 atoms, 71 bonds, 4 residues, 1 model selected  

> select /R:82,85,157,241,265

97 atoms, 96 bonds, 5 residues, 1 model selected  

> show sel atoms

> name frozen stacking_pocket sel

> ui mousemode right select

> select clear

> select /R:241

20 atoms, 20 bonds, 1 residue, 1 model selected  

> select /R:241

20 atoms, 20 bonds, 1 residue, 1 model selected  

> select /R:93,241

36 atoms, 35 bonds, 2 residues, 1 model selected  

> select /R:82,93,241

53 atoms, 51 bonds, 3 residues, 1 model selected  

> select /R:82,93,157,241

73 atoms, 71 bonds, 4 residues, 1 model selected  

> select /R:82,93,157-158,241

93 atoms, 92 bonds, 5 residues, 1 model selected  

> select /R:82,93,157-158,161,241

113 atoms, 112 bonds, 6 residues, 1 model selected  

> select /R:82,93,157-158,161,165,241

133 atoms, 132 bonds, 7 residues, 1 model selected  

> select /R:82,93,157-158,161,165,169,241

152 atoms, 150 bonds, 8 residues, 1 model selected  

> select /R:82,93,157-158,161,165,169,174,241

172 atoms, 170 bonds, 9 residues, 1 model selected  

> select /R:82,93,157-158,161,165,169,174,238,241

196 atoms, 195 bonds, 10 residues, 1 model selected  

> show sel atoms

> name frozen hydrophobic_cavity sel

> select clear

> select /R:156

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select /R:156

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select /R:65,156

28 atoms, 26 bonds, 2 residues, 1 model selected  

> select /R:65,156,262

52 atoms, 49 bonds, 3 residues, 1 model selected  

> select /R:65,156,261-262

67 atoms, 64 bonds, 4 residues, 1 model selected  

> show sel atoms

> name frozen head_H_bond sel

> movie record

> turn y 2 180

> wait 180

> movie encode /Users/dongju/Desktop/movie1.mp4

Movie saved to /Users/dongju/Desktop/movie1.mp4  
  

> show sel atoms

> select clear

> select /R:261

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select /R:261-262

39 atoms, 38 bonds, 2 residues, 1 model selected  

> select clear

> hide cartoons

> show cartoons

> select H

2402 atoms, 293 residues, 1 model selected  

> hide sel atoms

> hide sel cartoons

> select clear

Drag select of eraser sphere, 36 of 1000 triangles, 4 emd_33525_7xz5.map copy  

> select clear

> ui mousemode right "map eraser"

> volume erase #4 center 99.191,131.76,90.892 radius 8.1396

> volume erase #4 center 94.667,131.6,96.584 radius 8.1396

> volume erase #4 center 87.721,132.18,90.667 radius 8.1396

> volume erase #4 center 105.84,126.62,94.736 radius 8.1396

> volume erase #4 center 102.4,128.73,80.393 radius 8.1396

> volume erase #4 center 111.48,120.97,87.878 radius 8.1396

> volume erase #4 center 115.93,111.85,82.092 radius 8.1396

> volume erase #4 center 108.43,107.99,82.775 radius 8.1396

> volume erase #4 center 107.73,105.23,74.587 radius 8.1396

> volume erase #4 center 103.7,108.91,94.52 radius 8.1396

> volume erase #4 center 104.47,110.59,96.834 radius 8.1396

> volume erase #4 center 98.862,114.5,101.46 radius 8.1396

> volume erase #4 center 102.29,112.11,98.729 radius 8.1396

> volume erase #4 center 106.98,108.74,92.776 radius 8.1396

> volume erase #4 center 106.52,109.07,93.154 radius 8.1396

> volume erase #4 center 110.68,111.23,90.78 radius 8.1396

> volume erase #4 center 109.85,112.4,90.895 radius 8.1396

> volume erase #4 center 99.406,103.96,74.532 radius 8.1396

> volume erase #4 center 100.92,103.19,85.616 radius 8.1396

> volume erase #4 center 84.855,122.16,78.913 radius 8.1396

> volume erase #4 center 89.051,127.71,86.6 radius 8.1396

> volume erase #4 center 102.67,123.01,69.123 radius 8.1396

> volume erase #4 center 101.56,117.63,61.877 radius 8.1396

> volume erase #4 center 88.061,108.98,67.752 radius 8.1396

> volume erase #4 center 83.589,109.07,77.579 radius 8.1396

> volume erase #4 center 85.901,111.98,86.928 radius 8.1396

> volume erase #4 center 88.734,108.51,81.138 radius 8.1396

> volume erase #4 center 93.055,109.37,87.843 radius 8.1396

> volume erase #4 center 92.726,112.25,90.113 radius 8.1396

> volume erase #4 center 90.389,114.04,94.248 radius 8.1396

> volume erase #4 center 97.076,112.95,95.797 radius 8.1396

> volume erase #4 center 99.29,112.81,94.683 radius 8.1396

> volume erase #4 center 92.138,113.44,97.971 radius 8.1396

> volume erase #4 center 81.483,121.4,91.171 radius 8.1396

> volume erase #4 center 83.924,123.87,93.478 radius 8.1396

> volume erase #4 center 96.101,123.11,103.59 radius 8.1396

> volume erase #4 center 102.62,117.7,98.5 radius 8.1396

> volume erase #4 center 88.295,135.88,81.964 radius 8.1396

> volume erase #4 center 100.86,140.07,77.596 radius 8.1396

> volume erase #4 center 109.6,135.56,78.637 radius 8.1396

> volume erase #4 center 112.37,133.91,79.144 radius 8.1396

> volume erase #4 center 91.34,129.9,67.561 radius 8.1396

> volume erase #4 center 80.069,119.6,71.426 radius 8.1396

> volume erase #4 center 106.29,107.99,68.884 radius 8.1396

> volume erase #4 center 100.02,106.7,84.175 radius 8.1396

> volume erase #4 center 106.83,115.8,82.832 radius 3.3201

> volume erase #4 center 105.28,116.49,85.129 radius 3.3201

> volume erase #4 center 101.52,119.15,74.378 radius 3.3201

> volume erase #4 center 92.6,113.6,79.794 radius 3.3201

> volume erase #4 center 93.305,125.06,77.822 radius 3.3201

> volume erase #4 center 93.427,111.51,73.545 radius 3.3201

> volume erase #4 center 90.272,115.88,72.197 radius 3.3201

> volume erase #4 center 90.042,119.19,72.194 radius 3.3201

> show cartoons

> hide cartoons

> ui mousemode right "map eraser"

> volume erase #4 center 99.848,120.7,81.785 radius 1.7633

> show cartoons

> ui tool show "Side View"

> select head_H_bond

67 atoms, 64 bonds, 4 residues, 1 model selected  

> color sel #20113eff

> color sel #22123fff

> color sel #261342ff

[Repeated 1 time(s)]

> color sel #261240ff

> color sel #251240ff

> color sel #25123fff

[Repeated 1 time(s)]

> color sel #24123eff

[Repeated 1 time(s)]

> color sel #23123dff

> color sel #221139ff

> color sel #1e0f33ff

> color sel #1d0e30ff

> color sel #1d0e2fff

[Repeated 1 time(s)]

> color sel #1c0e2fff

> color sel #1c0d2fff

> color sel #1c0e2fff

> color sel #1b0e2dff

> color sel #1a0d2bff

> color sel #1a0d2aff

> color sel #180d28ff

> color sel #160b24ff

> color sel #150a23ff

> color sel #140a20ff

> color sel #130a20ff

> color sel #12091cff

[Repeated 1 time(s)]

> color sel #11091cff

> color sel #10081bff

> color sel #0c081aff

> color sel #0b091cff

[Repeated 2 time(s)]

> color sel #0b0a1dff

> color sel #0b0a1cff

> color sel #0b0a1dff

[Repeated 1 time(s)]

> color sel #0b091dff

> color sel #0c091dff

[Repeated 1 time(s)]

> color sel #0c091eff

> color sel #0c091fff

[Repeated 1 time(s)]

> color sel #0c0a20ff

> color sel #0d0a21ff

> color sel #0e0b24ff

> color sel #110c29ff

> color sel #140d2dff

> color sel #160e30ff

> color sel #170f31ff

> color sel #180e32ff

[Repeated 1 time(s)]

> color sel #190f33ff

[Repeated 1 time(s)]

> color sel #1a1038ff

> color sel #1a1039ff

> color sel #1a113eff

> color sel #151241ff

> color sel #151242ff

> color sel #141243ff

> color sel #141242ff

> color sel #141243ff

[Repeated 2 time(s)]

> color sel #141242ff

> color sel #141141ff

> color sel #13113eff

> color sel #11113dff

> color sel #11113cff

> color sel #10113cff

[Repeated 1 time(s)]

> color sel #12113cff

> color sel #15113bff

> color sel #1b1139ff

> color sel #1d1138ff

> color sel #1e1037ff

> color sel #1f1037ff

> color sel #200f33ff

> color sel #200e2fff

> color sel #1f0e2dff

> color sel #1e0d29ff

[Repeated 1 time(s)]

> color sel #1d0d28ff

[Repeated 1 time(s)]

> color sel #1d0d26ff

> color sel #1b0c23ff

> color sel #190b20ff

> color sel #180a1eff

> color sel #17091dff

> color sel #16081aff

> color sel #160819ff

[Repeated 2 time(s)]

> color sel #150819ff

> color sel #150818ff

> color sel #140917ff

> color sel #130916ff

[Repeated 2 time(s)]

> color sel #130816ff

[Repeated 1 time(s)]

> color sel #a9a9a9ff

> color sel #929292ff

> color sel #5e5e5eff

> color sel byhetero

> ui mousemode right select

> select clear

[Repeated 1 time(s)]

> select hydrophobic_cavity

196 atoms, 195 bonds, 10 residues, 1 model selected  

> color sel dim gray

> color sel byhetero

> select clear

> select stacking_pocket

97 atoms, 96 bonds, 5 residues, 1 model selected  

> color sel dim gray

> color sel byhetero

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4A_119_LPC.cxs"

——— End of log from Mon Jun 10 00:01:24 2024 ———

opened ChimeraX session  

> close session

> open 7Xv3

Summary of feedback from opening 7Xv3 fetched from pdb  
---  
notes | Fetching compressed mmCIF 7xv3 from http://files.rcsb.org/download/7xv3.cif  
Fetching CCD WJS from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/S/WJS/WJS.cif  
  
7xv3 title:  
Cryo-EM structure of LPS-bound GPR174 in complex with Gs protein [more
info...]  
  
Chain information for 7xv3 #1  
---  
Chain | Description | UniProt  
A | Engineered G protein subunit S (mini-Gs) |   
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 2-340  
G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
N | Nb35 |   
R | Probable G-protein coupled receptor 174 | GP174_HUMAN 1-333  
  
Non-standard residues in 7xv3 #1  
---  
WJS — (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-
propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid  
  

> hide atoms

> show atoms

> style stick

Changed 8347 atom styles  

> hide atoms

> show cartoons

> open 8IZB

Summary of feedback from opening 8IZB fetched from pdb  
---  
note | Fetching compressed mmCIF 8izb from http://files.rcsb.org/download/8izb.cif  
  
8izb title:  
Lysophosphatidylserine receptor GPR174-Gs complex [more info...]  
  
Chain information for 8izb #2  
---  
Chain | Description | UniProt  
A | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | GNAS2_HUMAN 1-66 205-394  
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 2-340  
C | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
N | Nanobody35 |   
R | Probable G-protein coupled receptor 174 | GP174_HUMAN 1-309  
  
Non-standard residues in 8izb #2  
---  
CLR — cholesterol  
SER — serine  
UBL — [(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate  
  

> style stick

Changed 16669 atom styles  

> hide atoms

> show cartoons

> ui tool show Matchmaker

> matchmaker #!2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 7xv3, chain B (#1) with 8izb, chain B (#2), sequence alignment
score = 1748.9  
RMSD between 338 pruned atom pairs is 0.870 angstroms; (across all 338 pairs:
0.870)  
  

> matchmaker #!2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 7xv3, chain B (#1) with 8izb, chain B (#2), sequence alignment
score = 1748.9  
RMSD between 338 pruned atom pairs is 0.870 angstroms; (across all 338 pairs:
0.870)  
  

> select #1/R#2/R

4742 atoms, 4879 bonds, 1 pseudobond, 579 residues, 3 models selected  

> select ~sel

11927 atoms, 12154 bonds, 2 pseudobonds, 1517 residues, 4 models selected  

> delete atoms (#!1-2 & sel)

> delete bonds (#!1-2 & sel)

> ui tool show Matchmaker

> matchmaker #!2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 7xv3, chain R (#1) with 8izb, chain R (#2), sequence alignment
score = 1530.3  
RMSD between 275 pruned atom pairs is 0.891 angstroms; (across all 282 pairs:
0.952)  
  

> matchmaker #!2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 7xv3, chain R (#1) with 8izb, chain R (#2), sequence alignment
score = 1530.3  
RMSD between 275 pruned atom pairs is 0.891 angstroms; (across all 282 pairs:
0.952)  
  

> color #1 #00f900ff

> color #1 #73fa79ff

> color #1 #8efa00ff

> color #1 #008f00ff

> color #1 #4f8f00ff

> color #1 #71cd02ff

> color #1 #5fac01ff

> color #1 #62b102ff

> color #1 #66b902ff

> color #2 #ff9300ff

> color #2 #ffd479ff

> color #2 #fffc79ff

> color #2 #ff8a76ff

> color #2 #ff5b30ff

> color #2 #ff6542ff

> color #2 #ff694dff

> color #2 #ff7e65ff

> color #2 #ff7d61ff

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_174.cxs"

> hide #!2 models

> show #!2 models

> rename #1 GPR174_7XV3

> rename #2 GPR174_8IZB

> open /Users/dongju/Downloads/emd_33479_7XV3.map

Opened emd_33479_7XV3.map as #3, grid size 256,256,256, pixel 1.1, shown at
level 0.36, step 1, values float32  

> volume #3 level 1.405

> volume #3 level 1.24

> hide #!2 models

> fitmap #1 inMap #3

Fit molecule GPR174_7XV3 (#1) to map emd_33479_7XV3.map (#3) using 2405 atoms  
average map value = 1.557, steps = 40  
shifted from previous position = 0.0106  
rotated from previous position = 0.0257 degrees  
atoms outside contour = 1086, contour level = 1.2401  
  
Position of GPR174_7XV3 (#1) relative to emd_33479_7XV3.map (#3) coordinates:  
Matrix rotation and translation  
0.99999993 -0.00006648 0.00036702 -0.03179555  
0.00006657 0.99999997 -0.00024767 0.02815569  
-0.00036701 0.00024769 0.99999990 0.02266206  
Axis 0.55317913 0.81970479 0.14858300  
Axis point 58.13526746 0.00000000 99.99218581  
Rotation angle (degrees) 0.02565375  
Shift along axis 0.00885791  
  

> select clear

> ui tool show "Segment Map"

Segmenting emd_33479_7XV3.map, density threshold 1.240100  
Showing 45 region surfaces  
1639 watershed regions, grouped to 45 regions  
Showing emd_33479_7XV3.seg - 45 regions, 45 surfaces  

> volume #3 level 1.625

> volume #3 level 1.515

> select #4.5

1 model selected  

> select #4.9

1 model selected  

> select #4.33

1 model selected  

> select #4.25

1 model selected  

> select #4.42

1 model selected  

> select #4.32

1 model selected  

> select #4.40

1 model selected  

> select #4.24

1 model selected  

> volume style mesh

> select ligand

126 atoms, 130 bonds, 5 residues, 2 models selected  

> show sel & #!1 atoms

> select clear

> ui tool show "Segment Map"

> select clear

Showing 45 region surfaces  

> select #4.40

1 model selected  

> select clear

> select #4.40

1 model selected  

> select add #4.32

2 models selected  

> select ligand

126 atoms, 130 bonds, 5 residues, 2 models selected  

> color (#!1 & sel) red

> select #4.9

1 model selected  

> select #4.22

1 model selected  

> select #4.42

1 model selected  

> select #4.25

1 model selected  

> select #4.24

1 model selected  

> select #4.6

1 model selected  

> select #4.44

1 model selected  

> select #4.43

1 model selected  

> select #4.28

1 model selected  

> select #4.33

1 model selected  

> select #4.5

1 model selected  

> select clear

> select #4.36

1 model selected  

> select add #4.5

2 models selected  

> select #4.36

1 model selected  

> select add #4.5

2 models selected  

> select #4.36

1 model selected  

> select add #4.21

2 models selected  

> select add #4.5

3 models selected  

> select clear

> select #4.21

1 model selected  

> select #4.5

1 model selected  

> select clear

> select #4.36

1 model selected  

> select clear

Drag select of 2352, 2347, 2356, 2297, 2294, 2350, 2341, 2361, 2355, 2296,
2354, 2357, 2306, 2351, 2358, 2346, 2280, 2330, 2315, 2312, 2335, 2349, 2292,
2304, 2118, 2079, 2089, 2348, 2150, 1146, 65 residues, 3 emd_33479_7XV3.map  

> select clear

Drag select of 2352, 2347, 2356, 2297, 14670 of 14696 triangles, 2294, 12950
of 13052 triangles, 2350, 12861 of 12876 triangles, 2341, 2361, 2355, 11674 of
11720 triangles, 2296, 2354, 2357, 2306, 9815 of 9928 triangles, 2351, 2358,
2346, 2280, 2330, 2315, 5332 of 5700 triangles, 2312, 2335, 2349, 2292, 4192
of 4588 triangles, 2304, 2118, 2079, 2089, 2348, 2150, 1146, 1 residues, 3
emd_33479_7XV3.map  

> select add #1/R:202

17 atoms, 7 bonds, 2 residues, 33 models selected  

> select subtract #1/R:202

9 atoms, 1 residue, 31 models selected  

> select #4.5

1 model selected  

> select add #4.36

2 models selected  

> hide #!3 models

> select clear

> select #4.5

1 model selected  

> select clear

Drag select of 2353, 2333, 35 atoms, 196 residues, 34 bonds  

> select clear

Drag select of 2353, 2333, 35 atoms, 197 residues, 34 bonds  

> select #1/R:40

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #4.5

1 model selected  

> select add #4.36

2 models selected  
Segmenting emd_33479_7XV3.map, density threshold 1.515058  
Showing 41 region surfaces  
1431 watershed regions, grouped to 41 regions  
Showing emd_33479_7XV3.seg - 41 regions, 41 surfaces  

> undo

[Repeated 1 time(s)]

> show #!3 models

> ui mousemode right "map eraser"

> volume erase #3 center 140.58,139.71,106.28 radius 11.852 outside true

Opened emd_33479_7XV3.map copy as #6, grid size 256,256,256, pixel 1.1, shown
at step 1, values float32  

> volume erase #6 center 137.3,152.38,97.859 radius 11.827

> volume erase #6 center 135.39,152.17,108.13 radius 11.827

> volume erase #6 center 144.73,147.59,113.46 radius 11.827

> volume erase #6 center 146.32,146.11,101.19 radius 5.4912

> volume erase #6 center 152.41,143.39,102.84 radius 5.4912

> volume erase #6 center 138.24,142.17,93.12 radius 5.4912

> volume erase #6 center 136.41,143.11,98.222 radius 5.4912

> volume erase #6 center 137.82,144.4,102.77 radius 5.4912

> volume erase #6 center 131.31,145.4,113.23 radius 5.4912

> volume erase #6 center 132.17,144.82,109.47 radius 5.4912

> volume erase #6 center 131.37,144.07,111.4 radius 5.4912

> volume erase #6 center 132.5,144.22,106.45 radius 5.4912

> volume erase #6 center 130.12,143.49,107.79 radius 5.4912

> volume erase #6 center 129.52,142.42,108.59 radius 5.4912

> volume erase #6 center 129.08,142.98,101.33 radius 5.4912

> volume erase #6 center 145.74,131.78,111.69 radius 5.4912

> volume erase #6 center 150.8,133.41,107.81 radius 5.4912

> volume erase #6 center 151.98,137.02,108.6 radius 5.4912

> volume erase #6 center 143.1,131.49,103.53 radius 5.4912

> undo

[Repeated 1 time(s)]

> show #!3 models

> hide #!3 models

> volume erase #6 center 142.48,134.18,95.914 radius 2.112

> volume erase #6 center 143.41,137.35,104.66 radius 2.112

> volume erase #6 center 142.13,136.54,106.85 radius 2.112

> volume erase #6 center 138.06,135.9,104.81 radius 2.112

> volume erase #6 center 136.16,130.41,103.82 radius 3.3792

> volume erase #6 center 137,131.27,108.9 radius 3.3792

> volume erase #6 center 136.49,131.45,109.31 radius 3.3792

> volume erase #6 center 135.44,130.37,109.42 radius 3.3792

> volume erase #6 center 138.2,132.73,114.96 radius 3.3792

> volume erase #6 center 140.56,135.89,116.43 radius 3.3792

> volume erase #6 center 138.76,138,109.25 radius 3.3792

> volume erase #6 center 139.05,137.66,112.31 radius 3.3792

> volume erase #6 center 142.67,137.36,109.71 radius 3.3792

> volume erase #6 center 141.81,136.15,110.68 radius 3.3792

> ui mousemode right select

> color #4 #bfbb4dff

> color #4 #bfb75cff

> color #6 #8769bfff models

> select clear

> show #!2 models

> hide #!4 models

> hide #!6 models

> hide #!2 models

> hide #!1 models

> show #!2 models

> select ligand

126 atoms, 130 bonds, 5 residues, 2 models selected  

> show sel & #!2 atoms

> color (#!2 & sel) cyan

> color (#!2 & sel) byelement

> color (#!2 & sel) cyan

> color (#!2 & sel) byhetero

> select clear

> select ligand

126 atoms, 130 bonds, 5 residues, 2 models selected  

> select clear

Drag select of 28 atoms, 14 residues, 31 bonds  

> select subtract #2/R:107

124 atoms, 31 bonds, 14 residues, 1 model selected  

> select subtract #2/R:108

113 atoms, 31 bonds, 13 residues, 1 model selected  

> select subtract #2/R:104

108 atoms, 31 bonds, 12 residues, 1 model selected  

> select subtract #2/R:105

102 atoms, 31 bonds, 11 residues, 1 model selected  
Drag select of 4 residues  

> select subtract #2/R:285

111 atoms, 31 bonds, 12 residues, 1 model selected  

> select add #2/R:64

116 atoms, 35 bonds, 13 residues, 1 model selected  

> select subtract #2/R:65

108 atoms, 35 bonds, 12 residues, 1 model selected  

> select subtract #2/R:286

102 atoms, 35 bonds, 11 residues, 1 model selected  

> select subtract #2/R:64

97 atoms, 31 bonds, 10 residues, 1 model selected  

> select subtract #2/R:63

89 atoms, 31 bonds, 9 residues, 1 model selected  

> select subtract #2/R:61

81 atoms, 31 bonds, 8 residues, 1 model selected  

> select subtract #2/R:60

73 atoms, 31 bonds, 7 residues, 1 model selected  

> select subtract #2/R:59

65 atoms, 31 bonds, 6 residues, 1 model selected  

> select subtract #2/R:56

57 atoms, 31 bonds, 5 residues, 1 model selected  

> select subtract #2/R:54

52 atoms, 31 bonds, 4 residues, 1 model selected  

> hide sel atoms

> select clear

Drag select of 28 atoms, 43 residues, 31 bonds  

> hide sel atoms

> select clear

> open /Users/dongju/Downloads/emd_35838_8IZB.map

Opened emd_35838_8IZB.map as #5, grid size 192,192,192, pixel 1.07, shown at
level 0.109, step 1, values float32  

> fitmap #2 inMap #5

Fit molecule GPR174_8IZB (#2) to map emd_35838_8IZB.map (#5) using 2337 atoms  
average map value = 0.03112, steps = 212  
shifted from previous position = 22.3  
rotated from previous position = 24.7 degrees  
atoms outside contour = 2133, contour level = 0.10906  
  
Position of GPR174_8IZB (#2) relative to emd_35838_8IZB.map (#5) coordinates:  
Matrix rotation and translation  
-0.75709552 0.55152368 0.35018282 113.97146734  
-0.50474698 -0.83411747 0.22243769 251.71856442  
0.41477326 -0.00834714 0.90988651 -4.43581388  
Axis -0.21307481 -0.05963389 -0.97521430  
Axis point 95.12709807 109.92648099 0.00000000  
Rotation angle (degrees) 147.21022229  
Shift along axis -34.96953558  
  

> volume #5 level 0.31

> ui tool show "Fit in Map"

> fitmap #2 inMap #5

Fit molecule GPR174_8IZB (#2) to map emd_35838_8IZB.map (#5) using 2337 atoms  
average map value = 0.03115, steps = 48  
shifted from previous position = 0.025  
rotated from previous position = 0.0816 degrees  
atoms outside contour = 2259, contour level = 0.30999  
  
Position of GPR174_8IZB (#2) relative to emd_35838_8IZB.map (#5) coordinates:  
Matrix rotation and translation  
-0.75634424 0.55270285 0.34994707 113.77452372  
-0.50587272 -0.83333500 0.22281287 251.71833289  
0.41477245 -0.00850545 0.90988542 -4.40405517  
Axis -0.21309999 -0.05971981 -0.97520354  
Axis point 95.12333021 109.91381983 0.00000000  
Rotation angle (degrees) 147.12923511  
Shift along axis -34.98307141  
  

> ui mousemode right "translate selected models"

> select add #2

2337 atoms, 2408 bonds, 1 pseudobond, 287 residues, 2 models selected  

> view matrix models
> #2,-0.75634,0.5527,0.34995,100.77,-0.50587,-0.83333,0.22281,216.63,0.41477,-0.0085054,0.90989,-31.932

> fitmap #2 inMap #5

Fit molecule GPR174_8IZB (#2) to map emd_35838_8IZB.map (#5) using 2337 atoms  
average map value = 0.08239, steps = 112  
shifted from previous position = 2.02  
rotated from previous position = 15.7 degrees  
atoms outside contour = 2038, contour level = 0.30999  
  
Position of GPR174_8IZB (#2) relative to emd_35838_8IZB.map (#5) coordinates:  
Matrix rotation and translation  
-0.62364597 0.74902223 0.22367702 77.87927936  
-0.66907043 -0.65943588 0.34276680 205.54528669  
0.40424060 0.06410946 0.91240315 -40.48325695  
Axis -0.19132671 -0.12397533 -0.97366535  
Axis point 88.49903660 88.11034294 0.00000000  
Rotation angle (degrees) 133.26230076  
Shift along axis -0.96578672  
  

> ui mousemode right "rotate selected models"

> view matrix models
> #2,-0.70332,0.62636,0.33617,89.044,-0.54828,-0.77897,0.30429,208.47,0.45246,0.029698,0.89129,-40.182

> view matrix models
> #2,-0.38844,0.53793,0.74816,33.249,-0.82947,-0.55777,-0.029626,241.38,0.40136,-0.63209,0.66285,49.269

> view matrix models
> #2,-0.65242,0.24877,0.71586,91.091,-0.63219,-0.69958,-0.33305,260.16,0.41795,-0.66985,0.61369,55.325

> view matrix models
> #2,-0.5867,0.50734,0.63118,65.537,-0.7995,-0.48686,-0.35181,257.2,0.12881,-0.71103,0.69126,82.133

> ui mousemode right "translate selected models"

> view matrix models
> #2,-0.5867,0.50734,0.63118,60.551,-0.7995,-0.48686,-0.35181,261.38,0.12881,-0.71103,0.69126,84.231

> fitmap #2 inMap #5

Fit molecule GPR174_8IZB (#2) to map emd_35838_8IZB.map (#5) using 2337 atoms  
average map value = 0.1085, steps = 92  
shifted from previous position = 0.937  
rotated from previous position = 10 degrees  
atoms outside contour = 1891, contour level = 0.30999  
  
Position of GPR174_8IZB (#2) relative to emd_35838_8IZB.map (#5) coordinates:  
Matrix rotation and translation  
-0.62096528 0.36269632 0.69487660 72.83627793  
-0.76631836 -0.46729282 -0.44090089 263.50441797  
0.16479771 -0.80628084 0.56811347 99.96027181  
Axis -0.28113136 0.40785433 -0.86868867  
Axis point 76.22679670 139.73009413 0.00000000  
Rotation angle (degrees) 139.47057346  
Shift along axis 0.16050012  
  

> view matrix models
> #2,-0.62097,0.3627,0.69488,72.832,-0.76632,-0.46729,-0.4409,263.51,0.1648,-0.80628,0.56811,99.969

> view matrix models
> #2,-0.62097,0.3627,0.69488,72.278,-0.76632,-0.46729,-0.4409,263.09,0.1648,-0.80628,0.56811,99.426

> ui mousemode right "rotate selected models"

> view matrix models
> #2,0.88734,-0.45949,0.038594,56.044,0.37767,0.77224,0.51089,-51.449,-0.26456,-0.43876,0.85878,82.396

> view matrix models
> #2,0.68908,-0.72467,-0.004158,105.76,0.64997,0.61549,0.44576,-57.838,-0.32047,-0.30987,0.89514,72.218

> view matrix models
> #2,0.55824,-0.82784,-0.05519,133.24,0.7659,0.48861,0.41792,-54.551,-0.319,-0.27557,0.90681,67.714

> view matrix models
> #2,0.32974,-0.92787,-0.17416,175.64,0.90726,0.26044,0.33022,-38.902,-0.26104,-0.26689,0.9277,59.37

> view matrix models
> #2,0.45763,-0.88555,-0.079857,151.04,0.84987,0.46205,-0.25344,-6.3646,0.26133,0.048115,0.96405,-27.233

> view matrix models
> #2,0.49381,-0.86137,0.11913,129.02,0.8695,0.49087,-0.054935,-27.152,-0.011156,0.13071,0.99136,-10.394

> ui mousemode right "translate selected models"

> view matrix models
> #2,0.49381,-0.86137,0.11913,130.24,0.8695,0.49087,-0.054935,-27.912,-0.011156,0.13071,0.99136,-12.122

> fitmap #2 inMap #5

Fit molecule GPR174_8IZB (#2) to map emd_35838_8IZB.map (#5) using 2337 atoms  
average map value = 0.09425, steps = 80  
shifted from previous position = 2.89  
rotated from previous position = 5.57 degrees  
atoms outside contour = 1973, contour level = 0.30999  
  
Position of GPR174_8IZB (#2) relative to emd_35838_8IZB.map (#5) coordinates:  
Matrix rotation and translation  
0.52515536 -0.85051680 0.02886199 134.01497851  
0.84977602 0.52227137 -0.07150763 -24.99386004  
0.04574465 0.06207884 0.99702239 -11.46111867  
Axis 0.07832154 -0.00989827 0.99687901  
Axis point 89.84006467 107.47382746 0.00000000  
Rotation angle (degrees) 58.51841098  
Shift along axis -0.68169319  
  

> view matrix models
> #2,0.52516,-0.85052,0.028862,134.03,0.84978,0.52227,-0.071508,-24.982,0.045745,0.062079,0.99702,-11.446

> select subtract #2

Nothing selected  

> hide #!2 models

> show #!2 models

> open 8IZB

8izb title:  
Lysophosphatidylserine receptor GPR174-Gs complex [more info...]  
  
Chain information for 8izb #7  
---  
Chain | Description | UniProt  
A | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | GNAS2_HUMAN 1-66 205-394  
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 2-340  
C | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
N | Nanobody35 |   
R | Probable G-protein coupled receptor 174 | GP174_HUMAN 1-309  
  
Non-standard residues in 8izb #7  
---  
CLR — cholesterol  
SER — serine  
UBL — [(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate  
  

> show #!2,7 atoms

> hide #!2,7 atoms

> show #!2,7 cartoons

> hide #!2 models

> fitmap #7 inMap #5

Fit molecule 8izb (#7) to map emd_35838_8IZB.map (#5) using 8322 atoms  
average map value = 0.528, steps = 48  
shifted from previous position = 0.00983  
rotated from previous position = 0.0346 degrees  
atoms outside contour = 2668, contour level = 0.30999  
  
Position of 8izb (#7) relative to emd_35838_8IZB.map (#5) coordinates:  
Matrix rotation and translation  
0.99999990 -0.00043812 -0.00007167 0.05733242  
0.00043815 0.99999982 0.00040866 -0.10116588  
0.00007149 -0.00040870 0.99999991 0.03879010  
Axis -0.67728235 -0.11862354 0.72609715  
Axis point 230.58619138 132.87307402 0.00000000  
Rotation angle (degrees) 0.03457291  
Shift along axis 0.00133580  
  

> fitmap #7 inMap #5

Fit molecule 8izb (#7) to map emd_35838_8IZB.map (#5) using 8322 atoms  
average map value = 0.528, steps = 40  
shifted from previous position = 0.0136  
rotated from previous position = 0.0126 degrees  
atoms outside contour = 2663, contour level = 0.30999  
  
Position of 8izb (#7) relative to emd_35838_8IZB.map (#5) coordinates:  
Matrix rotation and translation  
0.99999989 -0.00041193 -0.00021360 0.07185299  
0.00041198 0.99999989 0.00024297 -0.07255698  
0.00021350 -0.00024306 0.99999995 -0.00480124  
Axis -0.46394690 -0.40768761 0.78647574  
Axis point 183.61588251 165.89958263 0.00000000  
Rotation angle (degrees) 0.03001154  
Shift along axis -0.00753145  
  

> select ligand

217 atoms, 226 bonds, 9 residues, 3 models selected  

> show sel & #!7 atoms

> style sel & #!7 stick

Changed 91 atom styles  

> color (#!7 & sel) cyan

> color (#!7 & sel) byhetero

> ui mousemode right select

> select clear

> color #7 #e97925ff

> select clear

> ui mousemode right "map eraser"

> hide #!5 models

> select ligand

217 atoms, 226 bonds, 9 residues, 3 models selected  

> color (#!7 & sel) cyan

> color (#!7 & sel) byhetero

> ui mousemode right select

> select clear

Drag select of 28 atoms, 15 residues, 31 bonds  

> hide sel atoms

Drag select of 28 atoms, 36 residues, 31 bonds  

> hide sel atoms

> select clear

> ui mousemode right "map eraser"

> show #!5 models

> volume erase #5 center 106.66,103.8,71.644 radius 14.586 outside true

Opened emd_35838_8IZB.map copy as #9, grid size 192,192,192, pixel 1.07, shown
at step 1, values float32  

> volume #!9 style mesh

> volume erase #9 center 111.41,89.902,65.361 radius 14.586

> volume erase #9 center 107.94,121.91,67.65 radius 14.586

> volume erase #9 center 111.71,121.18,80.776 radius 14.586

> show #!6 models

> hide #!6 models

> show #!5 models

> hide #!5 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> hide #!7 models

> show #!7 models

> select up

2 atoms, 1 bond, 1 residue, 1 model selected  

> select up

28 atoms, 27 bonds, 1 residue, 1 model selected  

> select up

35 atoms, 34 bonds, 2 residues, 1 model selected  

> select clear

> select #7/R:501@CAL

1 atom, 1 residue, 1 model selected  

> select up

28 atoms, 27 bonds, 1 residue, 1 model selected  

> select up

35 atoms, 34 bonds, 2 residues, 1 model selected  

> ui tool show "Surface Zone"

> surface zone #5 nearAtoms sel distance 6.42

> show #!5 models

> surface zone #5 nearAtoms sel distance 6.39

> surface zone #5 nearAtoms sel distance 2.37

> volume #!5 style mesh

> select clear

> hide #!5 models

> select #7/R:501@CAL

1 atom, 1 residue, 1 model selected  

> select clear

> hide #!7 cartoons

> show #!5 models

> show #!7 cartoons

> surface dust #5 size 10.7

[Repeated 1 time(s)]

> show #!9 models

> hide #!9 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> select ~sel & ##selected

Nothing selected  

> select ~sel & ##selected

Nothing selected  

> select ~sel & ##selected

Nothing selected  

> select ligand

217 atoms, 226 bonds, 9 residues, 3 models selected  

> surface zone #5 nearAtoms sel distance 2.37

> show #!5 models

> surface zone #5 nearAtoms sel distance 2.19

> surface zone #5 nearAtoms sel distance 1.98

> surface zone #5 nearAtoms sel distance 1.92

> surface zone #5 nearAtoms sel distance 2.84

> volume erase #5 center 97.122,114.32,87.432 radius 15.824

Opened emd_35838_8IZB.map copy as #10, grid size 192,192,192, pixel 1.07,
shown at step 1, values float32  

> hide #8 models

> hide #!7 models

> show #!7 models

> hide #!10 models

> show #!9 models

> show #!10 models

> hide #!10 models

> show #!10 models

> surface zone #5 nearAtoms sel distance 2.88

> surface zone #5 nearAtoms sel distance 3.51

> surface zone #10 nearAtoms sel distance 6.42

> surface zone #10 nearAtoms sel distance 7.4

> surface zone #10 nearAtoms sel distance 2.98

> surface zone #10 nearAtoms sel distance 2.84

> surface zone #10 nearAtoms sel distance 1.07

> surface zone #10 nearAtoms sel distance 1.14

> surface zone #10 nearAtoms sel distance 1.46

> hide #!9 models

> hide #!10 models

> show #!9 models

> ui mousemode right "map eraser"

> show #8 models

> volume erase #9 center 114.38,92.324,58.232 radius 15.819

> volume erase #9 center 111.49,87.981,63.612 radius 15.819

[Repeated 2 time(s)]

> volume erase #9 center 107.71,88.792,66.568 radius 15.819

Drag select of eraser sphere, 12 of 1000 triangles, 1 residues  

> volume erase #9 center 105.1,88.752,87.326 radius 15.819

> select clear

[Repeated 1 time(s)]Drag select of eraser sphere, 22 of 1000 triangles  

> volume erase #9 center 91.499,94.95,81.957 radius 15.819

> volume erase #9 center 85.413,90.487,70.998 radius 15.819

> volume erase #9 center 86.636,92.277,71.444 radius 15.819

Drag select of 3 residues  

> volume erase #9 center 98.241,122.4,57.74 radius 15.819

> volume erase #9 center 102.19,111.25,73.203 radius 5.855

> volume erase #9 center 97.847,107.45,77.377 radius 5.855

> volume erase #9 center 99.791,104.95,73.32 radius 4.2115

> volume erase #9 center 99.143,106.95,70.195 radius 1.5408

> volume erase #9 center 100.36,103.84,59.868 radius 1.5408

> volume erase #9 center 99.493,104.67,62.092 radius 1.5408

> volume erase #9 center 98.056,103.55,61.843 radius 1.5408

> volume erase #9 center 101.99,103.77,60.872 radius 1.5408

> volume erase #9 center 114.36,107.58,72.154 radius 1.5408

> volume erase #9 center 114.63,103.19,73.152 radius 2.6707

> volume erase #9 center 114.95,102.6,75.728 radius 2.6707

> volume erase #9 center 111.11,100.72,76.519 radius 2.6707

> volume erase #9 center 111.56,100.18,79.429 radius 2.6707

> volume erase #9 center 112.28,99.226,83.652 radius 2.6707

> volume erase #9 center 113.98,100.1,82.377 radius 2.6707

> volume erase #9 center 108.54,103.62,85.176 radius 2.6707

> volume erase #9 center 110.25,103.01,85.589 radius 2.6707

> volume erase #9 center 109.53,104.43,84.971 radius 2.6707

> volume erase #9 center 110.73,103.84,85.163 radius 2.6707

> volume erase #9 center 111.12,105.18,86.48 radius 2.6707

> volume erase #9 center 108.43,104.79,87.72 radius 2.6707

> volume erase #9 center 107.37,105.83,85.436 radius 2.6707

> volume erase #9 center 100.71,107.72,83.237 radius 2.6707

> volume erase #9 center 104.99,107.2,81.964 radius 2.6707

> volume erase #9 center 96.298,109.91,77.518 radius 2.6707

> volume erase #9 center 98.754,113.88,76.858 radius 2.6707

> volume erase #9 center 103.49,107.6,70.05 radius 2.6707

> volume erase #9 center 105.05,107.56,75.06 radius 2.6707

> volume erase #9 center 105.08,107.46,78.505 radius 2.6707

> volume erase #9 center 104.93,106.09,79.592 radius 2.6707

> volume erase #9 center 104.63,102.97,82.066 radius 2.6707

> volume erase #9 center 104.29,106.6,79.002 radius 2.6707

> volume erase #9 center 104.49,106.53,79.109 radius 3.1843

> volume erase #9 center 105.6,106.44,76.099 radius 3.1843

> volume erase #9 center 105.35,106.52,74.933 radius 3.1843

> volume erase #9 center 104.88,103.13,76.405 radius 3.1843

> volume erase #9 center 104.98,103.66,75.024 radius 3.1843

> ui mousemode right select

> select clear

> transparency 80 ribbons

> graphics silhouettes width 1.3 depthJump 0.1

> select clear

> color #9 #5884ffff models

> color #9 #2f4688ff models

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_8izb.png" width 2000
> height 1253 supersample 3 transparentBackground true

> show #!1 models

> show #!6 models

> hide #!7 models

> show #!1 cartoons

> hide #!9 models

Drag select of 4 residues  

> select clear

> select lignad

Expected an objects specifier or a keyword  

> select ligand

217 atoms, 226 bonds, 9 residues, 3 models selected  

> color (#!1 & sel) byhetero

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_7xv3.png" width 2000
> height 1253 supersample 3 transparentBackground true

[Repeated 5 time(s)]

> ui tool show "Show Sequence Viewer"

> sequence chain #1/R

Alignment identifier is 1/R  

> select #1/R:103-104

17 atoms, 17 bonds, 2 residues, 1 model selected  

> select #1/R:103-104

17 atoms, 17 bonds, 2 residues, 1 model selected  

> select #1/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1/R:103,151

20 atoms, 19 bonds, 2 residues, 1 model selected  

> select #1/R:103,151-152

31 atoms, 31 bonds, 3 residues, 1 model selected  

> select #1/R:103,151-152,155

39 atoms, 38 bonds, 4 residues, 1 model selected  

> select #1/R:103,151-152,155,185-186

55 atoms, 53 bonds, 6 residues, 1 model selected  

> select #1/R:103,151-152,155,185-186

55 atoms, 53 bonds, 6 residues, 1 model selected  

> select #1/R:103,151-152,155,185-186

55 atoms, 53 bonds, 6 residues, 1 model selected  

> select #1/R:103,151-152,155,185-187

62 atoms, 60 bonds, 7 residues, 1 model selected  

> select #1/R:103,151-152,155,185-187

62 atoms, 60 bonds, 7 residues, 1 model selected  

> select #1/R:103,151-152,155,185-187

62 atoms, 60 bonds, 7 residues, 1 model selected  

> select clear

> select #1/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1/R:103,155-156

31 atoms, 30 bonds, 3 residues, 1 model selected  

> select #1/R:103,151-152,155-156

50 atoms, 49 bonds, 5 residues, 1 model selected  

> select #1/R:103,151-152,155-156,185

58 atoms, 56 bonds, 6 residues, 1 model selected  

> select #1/R:103,151-152,155-156,185,250

69 atoms, 67 bonds, 7 residues, 1 model selected  

> select #1/R:103,151-152,155-156,185,250,254

80 atoms, 78 bonds, 8 residues, 1 model selected  

> name frozen 1_hydrophobic_cleft sel

Not registering illegal selector name "1_hydrophobic_cleft"  

> show sel atoms

> style sel stick

Changed 80 atom styles  

> color sel byhetero

> select clear

> select #1/R:18

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/R:18

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/R:18,75

22 atoms, 20 bonds, 2 residues, 1 model selected  

> select #1/R:18,75,79

34 atoms, 32 bonds, 3 residues, 1 model selected  

> select #1/R:18,75,79,98

43 atoms, 40 bonds, 4 residues, 1 model selected  

> select #1/R:18,75,79,98-99

55 atoms, 53 bonds, 5 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156

66 atoms, 63 bonds, 6 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156,246

78 atoms, 75 bonds, 7 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156,246,257

87 atoms, 83 bonds, 8 residues, 1 model selected  

> name frozen 1_head_interact sel

Not registering illegal selector name "1_head_interact"  

> show sel atoms

> style sel stick

Changed 87 atom styles  

> color sel byhetero

> select clear

> select #1/R:18,75,79,98-99,156,246,257-258

93 atoms, 89 bonds, 9 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156,246,257-258

93 atoms, 89 bonds, 9 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156,246,257-258

93 atoms, 89 bonds, 9 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156,246,256-259

108 atoms, 104 bonds, 11 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156,246,256-259

108 atoms, 104 bonds, 11 residues, 1 model selected  

> select #1/R:18

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/R:18

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/R:18,75

22 atoms, 20 bonds, 2 residues, 1 model selected  

> select #1/R:18,75,79

34 atoms, 32 bonds, 3 residues, 1 model selected  

> select #1/R:18,75,79,98

43 atoms, 40 bonds, 4 residues, 1 model selected  

> select #1/R:18,75,79,98-99

55 atoms, 53 bonds, 5 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156

66 atoms, 63 bonds, 6 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156,246

78 atoms, 75 bonds, 7 residues, 1 model selected  

> select #1/R:18,75,79,98-99,156,246,257

87 atoms, 83 bonds, 8 residues, 1 model selected  

> name frozen head_interact_1 sel

> hide sel atoms

> select clear

> select #1/R:154

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select clear

> select #1/R:155

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #1/R:151

16 atoms, 14 bonds, 2 residues, 1 model selected  

> select add #1/R:185

24 atoms, 21 bonds, 3 residues, 1 model selected  

> select add #1/R:152

35 atoms, 32 bonds, 4 residues, 1 model selected  

> select add #1/R:254

46 atoms, 43 bonds, 5 residues, 1 model selected  

> select add #1/R:250

57 atoms, 54 bonds, 6 residues, 1 model selected  

> select add #1/R:103

69 atoms, 66 bonds, 7 residues, 1 model selected  

> name frozen tail_interact_1 sel

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_7xv3_tail.png" width
> 2000 height 1253 supersample 3 transparentBackground true

> select head_interact_1

87 atoms, 83 bonds, 8 residues, 1 model selected  

> hide sel atoms

> select tail_interact_1

69 atoms, 67 bonds, 7 residues, 1 model selected  

> hide sel atoms

> select head_interact_1

87 atoms, 83 bonds, 8 residues, 1 model selected  

> show sel atoms

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_7xv3_head.png" width
> 2000 height 1253 supersample 3 transparentBackground true

> show #!2 models

> hide #!1 models

> hide #!6 models

> show #!9 models

> hide #!2 models

> show #!10 models

> hide #!10 models

> show #!5 models

> hide #!5 models

> show #!7 models

> ui tool show "Show Sequence Viewer"

> sequence chain #7/R

Alignment identifier is 7/R  

> select #7/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #7/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #7/R:103,151

20 atoms, 19 bonds, 2 residues, 1 model selected  

> select #7/R:103,151-153

38 atoms, 39 bonds, 4 residues, 1 model selected  

> select #7/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #7/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #7/R:152

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #7/R:151-152

19 atoms, 19 bonds, 2 residues, 1 model selected  

> select #7/R:103,151-152

31 atoms, 31 bonds, 3 residues, 1 model selected  

> select #7/R:103,151-152,185

39 atoms, 38 bonds, 4 residues, 1 model selected  

> select #7/R:103,151-152,185,250

50 atoms, 49 bonds, 5 residues, 1 model selected  

> select #7/R:103,151-152,185,250,254

61 atoms, 60 bonds, 6 residues, 1 model selected  

> select #7/R:103,151-152,155,185,250,254

69 atoms, 67 bonds, 7 residues, 1 model selected  

> name frozen tail_interact_2 sel

> show sel atoms

> style sel stick

Changed 69 atom styles  

> color sel byhetero

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_8izb_tail.png" width
> 2000 height 1253 supersample 3 transparentBackground true

> select tail_interact_2

69 atoms, 67 bonds, 7 residues, 1 model selected  

> hide sel atoms

> select clear

> select #7/R:18

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #7/R:18

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #7/R:18,75

22 atoms, 20 bonds, 2 residues, 1 model selected  

> select #7/R:18,75,79

34 atoms, 32 bonds, 3 residues, 1 model selected  

> select #7/R:18,75,79,98

43 atoms, 40 bonds, 4 residues, 1 model selected  

> select #7/R:18,75,79,98-99

55 atoms, 53 bonds, 5 residues, 1 model selected  

> select #7/R:18,75,79,98-99,156

66 atoms, 63 bonds, 6 residues, 1 model selected  

> select #7/R:18,75,79,98-99,156,246

78 atoms, 75 bonds, 7 residues, 1 model selected  

> select #7/R:18,75,79,98-99,156,246,257

87 atoms, 83 bonds, 8 residues, 1 model selected  

> name frozen head_interact_2 sel

> show sel atoms

> style sel stick

Changed 87 atom styles  

> color sel byhetero

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_8izb_head.png" width
> 2000 height 1253 supersample 3 transparentBackground true

> select clear

> select #7/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #7/R:103

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> ui tool show H-Bonds

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true
    
    
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	7 8izb
    
    0 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    

  
0 hydrogen bonds found  

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true

Atom specifier selects no atoms  

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_8izb_head.png" width
> 2000 height 1253 supersample 3 transparentBackground true

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_174_v2.cxs"

> hide #!9 models

> show #!9 models

> ui mousemode right "map eraser"

> volume erase #9 center 103.31,102.34,56.196 radius 2.9422

> ui mousemode right select

> hide #!9 models

> show #!9 models

> save /Users/dongju/Desktop/image1.png supersample 3

> hide #!9 models

> show #!9 models

> select tail_interact_2

69 atoms, 67 bonds, 7 residues, 1 model selected  

> show sel atoms

> select tail_interact_2

69 atoms, 67 bonds, 7 residues, 1 model selected  

> select head_interact_2

87 atoms, 83 bonds, 8 residues, 1 model selected  

> hide sel atoms

> select clear

> select head_interact_2

87 atoms, 83 bonds, 8 residues, 1 model selected  

> show sel atoms

> show #!1 models

> hide #!7 models

> hide #!9 models

> select tail_interact_1

69 atoms, 67 bonds, 7 residues, 1 model selected  

> show sel atoms

> select clear

> show #!2 models

> show #!10 models

> hide #!2 models

> show #!7 models

> hide #!10 models

> show #!9 models

> show #!6 models

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_174_v3.cxs"

——— End of log from Fri Jun 14 01:29:38 2024 ———

opened ChimeraX session  
Showing emd_33479_7XV3.seg - 41 regions, 41 surfaces  

> hide #!9 models

> hide #!7 models

> show #!7 models

> show #!9 models

> hide #!1 models

> hide #!4 models

> hide #!7 models

> show #!7 models

> hide #!6 models

> ui mousemode right select

> select #7/R:501@CAH

1 atom, 1 residue, 1 model selected  

> ui tool show H-Bonds

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true
    
    
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	7 8izb
    
    0 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    

  
0 hydrogen bonds found  

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true

Atom specifier selects no atoms  

> cartoon style helix width 1.7 thickness 0.2

> cartoon style helix width 1.5 thickness 0.2

> cartoon style helix width 1.3 thickness 0.2

> select #7/N

973 atoms, 995 bonds, 128 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #7/A

1954 atoms, 1993 bonds, 1 pseudobond, 235 residues, 2 models selected  

> delete atoms (#!7 & sel)

> delete bonds (#!7 & sel)

> select #7/C

436 atoms, 442 bonds, 57 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #7/B

2622 atoms, 2669 bonds, 342 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> transparency 0 ribbons

> ui tool show "Side View"

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_8izb_overall_v2.png"
> width 3000 height 2304 supersample 3 transparentBackground true

> transparency 80 ribbons

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_8izb_binding_v2.png"
> width 2000 height 1536 supersample 3 transparentBackground true

> show #!1 models

> show #!6 models

> select ~sel & ##selected

Nothing selected  

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_7xv3_binding_v2.png"
> width 2000 height 1536 supersample 3 transparentBackground true

> hide #!1 models

> hide #!6 models

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_8izb_binding_v2.png"
> width 2000 height 1536 supersample 3 transparentBackground true

> show #!1 models

> hide #!7 models

> hide #!9 models

> show #!6 models

> transparency 0 ribbons

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_GPR174_7xv3_overall_v2.png"
> width 3000 height 2304 supersample 3 transparentBackground true

[Repeated 1 time(s)]

> show #!7 models

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4D_174_v3.cxs"

——— End of log from Sun Jun 16 23:57:53 2024 ———

opened ChimeraX session  
Showing emd_33479_7XV3.seg - 41 regions, 41 surfaces  

> close session

> open 8X2K

Summary of feedback from opening 8X2K fetched from pdb  
---  
note | Fetching compressed mmCIF 8x2k from http://files.rcsb.org/download/8x2k.cif  
  
8x2k title:  
a lipid receptor complex structure [more info...]  
  
Chain information for 8x2k #1  
---  
Chain | Description | UniProt  
A | Soluble cytochrome b562,G-protein coupled receptor 3 | C562_ECOLX -105--1, GPR3_HUMAN 1-330  
B | Isoform Gnas-2 of Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | GNAS2_HUMAN 26-394  
C | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 2-340  
D | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
E | scfv16 |   
  
Non-standard residues in 8x2k #1  
---  
5YM — (Z)-N-(2-hydroxyethyl)octadec-9-enamide  
  

> select ~sel & ##selected

Nothing selected  

> open 8WW2

Summary of feedback from opening 8WW2 fetched from pdb  
---  
note | Fetching compressed mmCIF 8ww2 from http://files.rcsb.org/download/8ww2.cif  
  
8ww2 title:  
GPR3/Gs complex [more info...]  
  
Chain information for 8ww2 #2  
---  
Chain | Description | UniProt  
A | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short |   
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 2-340  
G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 1-71  
N | Nb35 |   
R | G-protein coupled receptor 3 | GPR3_HUMAN 1-330  
  
Non-standard residues in 8ww2 #2  
---  
OLA — oleic acid  
PLM — palmitic acid  
Y01 — cholesterol hemisuccinate  
  

> open 8U8F

Summary of feedback from opening 8U8F fetched from pdb  
---  
note | Fetching compressed mmCIF 8u8f from http://files.rcsb.org/download/8u8f.cif  
  
8u8f title:  
GPR3 Orphan G-coupled Protein Receptor in complex with Dominant Negative Gs.
[more info...]  
  
Chain information for 8u8f #3  
---  
Chain | Description | UniProt  
A | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | GNAS2_HUMAN 1-394  
B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | GBB1_HUMAN 2-340  
G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | GBG2_HUMAN 5-62  
R | G-protein coupled receptor 3 | GPR3_HUMAN 2-330  
  
Non-standard residues in 8u8f #3  
---  
PLM — palmitic acid  
  

> style stick

Changed 30268 atom styles  

> hide atoms

> show cartoons

> ui tool show Matchmaker

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8x2k, chain C (#1) with 8ww2, chain B (#2), sequence alignment
score = 1641.5  
RMSD between 337 pruned atom pairs is 0.626 angstroms; (across all 338 pairs:
0.643)  
  
Matchmaker 8x2k, chain C (#1) with 8u8f, chain B (#3), sequence alignment
score = 1614.3  
RMSD between 336 pruned atom pairs is 0.784 angstroms; (across all 337 pairs:
0.791)  
  

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8x2k, chain C (#1) with 8ww2, chain B (#2), sequence alignment
score = 1641.5  
RMSD between 337 pruned atom pairs is 0.626 angstroms; (across all 338 pairs:
0.643)  
  
Matchmaker 8x2k, chain C (#1) with 8u8f, chain B (#3), sequence alignment
score = 1614.3  
RMSD between 336 pruned atom pairs is 0.784 angstroms; (across all 337 pairs:
0.791)  
  

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> show sel atoms

> select clear

[Repeated 2 time(s)]

> hide #!3 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!3 models

> hide #!2 models

> hide #!3 models

> show #!2 models

> show #!1 models

> hide #!2 models

> show #!3 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> show #!2 models

> show #!3 models

> color #1 #fff39bff

> color #1 #b2ffa8ff

> color #2 #edba84ff

> color #2 #edd86aff

> color #2 #6bacedff

> color #3 #e581a5ff

> color #3 #e5728bff

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> color sel byhetero

> select clear

> cartoon style helix width 1.4 thickness 0.2

> cartoon style helix width 1.4 thickness 0.4

> select #1/D#2/G#3/G

1721 atoms, 1739 bonds, 169 residues, 3 models selected  

> delete atoms sel

> delete bonds sel

> select #1/C#2/B#3/B

10266 atoms, 10407 bonds, 1016 residues, 3 models selected  

> delete atoms sel

> delete bonds sel

> select #2/A#3/A

5608 atoms, 5678 bonds, 4 pseudobonds, 460 residues, 4 models selected  

> delete atoms (#!2-3 & sel)

> delete bonds (#!2-3 & sel)

> select #1/B

1795 atoms, 1828 bonds, 4 pseudobonds, 218 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select #1/E

1803 atoms, 1849 bonds, 1 pseudobond, 236 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select #2/N

965 atoms, 987 bonds, 128 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select clear

[Repeated 1 time(s)]

> ui tool show Matchmaker

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8x2k, chain A (#1) with 8ww2, chain R (#2), sequence alignment
score = 1513.5  
RMSD between 254 pruned atom pairs is 0.631 angstroms; (across all 260 pairs:
0.821)  
  
Matchmaker 8x2k, chain A (#1) with 8u8f, chain R (#3), sequence alignment
score = 1558.7  
RMSD between 251 pruned atom pairs is 0.795 angstroms; (across all 259 pairs:
0.961)  
  

> matchmaker #!2-3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 8x2k, chain A (#1) with 8ww2, chain R (#2), sequence alignment
score = 1513.5  
RMSD between 254 pruned atom pairs is 0.631 angstroms; (across all 260 pairs:
0.821)  
  
Matchmaker 8x2k, chain A (#1) with 8u8f, chain R (#3), sequence alignment
score = 1558.7  
RMSD between 251 pruned atom pairs is 0.795 angstroms; (across all 259 pairs:
0.961)  
  

> color #3 #eca5acff

> color #3 #ec626dff

> color #2 #4a8ff1ff

> color #2 #4c86f1ff

> color #2 #f1c847ff

> color #2 #38a8f1ff

> color #1 #fce991ff

> select clear

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> color sel byhetero

> select clear

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> select add #2

2118 atoms, 2158 bonds, 1 pseudobond, 275 residues, 4 models selected  

> select subtract #2

70 atoms, 68 bonds, 2 residues, 2 models selected  

> select add #3

4164 atoms, 4209 bonds, 1 pseudobond, 267 residues, 3 models selected  

> select subtract #3

23 atoms, 22 bonds, 1 residue, 1 model selected  

> color sel medium blue

> color sel byhetero

> color sel dim gray

> color sel byhetero

> select clear

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> select add #1

2041 atoms, 2076 bonds, 1 pseudobond, 267 residues, 4 models selected  

> select subtract #1

120 atoms, 120 bonds, 4 residues, 2 models selected  

> select add #3

4214 atoms, 4261 bonds, 1 pseudobond, 269 residues, 3 models selected  

> select subtract #3

73 atoms, 74 bonds, 3 residues, 1 model selected  

> color sel orange

> color sel byhetero

> select clear

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> select add #1

2041 atoms, 2076 bonds, 1 pseudobond, 267 residues, 4 models selected  

> select subtract #1

120 atoms, 120 bonds, 4 residues, 2 models selected  

> select add #2

2095 atoms, 2136 bonds, 1 pseudobond, 274 residues, 3 models selected  

> select subtract #2

47 atoms, 46 bonds, 1 residue, 1 model selected  

> color sel #fc6739ff

> color sel #fc6336ff

> color sel #fc6134ff

> color sel #fc5f32ff

> color sel #fc5529ff

> color sel #fc5328ff

> color sel #fc5227ff

> color sel #fc4f25ff

> color sel #fc4e24ff

> color sel #fc4d23ff

> color sel #fc4b1fff

> color sel #fc4a1eff

> color sel #fc4a1dff

[Repeated 1 time(s)]

> color sel #fc4a1cff

> color sel #fc4a1bff

> color sel #fc4919ff

> color sel #fc4917ff

> color sel #fc4812ff

> color sel #fc4811ff

> color sel #fc470fff

> color sel #fc460eff

> color sel #fc440bff

> color sel #fc4309ff

> color sel #fc4208ff

> color sel #fc3f04ff

> color sel #fc3e03ff

> color sel #fc3d02ff

[Repeated 2 time(s)]

> color sel #fc3c02ff

> color sel #fc3901ff

> color sel #fc3801ff

> color sel #fc3702ff

> color sel #fc3602ff

[Repeated 1 time(s)]

> color sel #fc3504ff

> color sel #fc3505ff

> color sel #fc3605ff

> color sel #fc3606ff

> color sel #fc3706ff

> color sel #fc3808ff

> color sel #fc3a0aff

> color sel #fc3d0cff

> color sel #fc3f0eff

> color sel #fc4211ff

> color sel #fc4613ff

> color sel #fc4916ff

> color sel #fc4c19ff

> color sel #fc4e1aff

> color sel #fc501bff

[Repeated 1 time(s)]

> color sel #fc501cff

> color sel #fc511cff

[Repeated 1 time(s)]

> color sel #fc511dff

[Repeated 2 time(s)]

> color sel #fc511eff

[Repeated 1 time(s)]

> color sel #fc511fff

> color sel #fc5323ff

> color sel #fc5424ff

> color sel #fc5426ff

> color sel #fc5528ff

> color sel #fc5629ff

> color sel #fc562aff

> color sel #fc562bff

> color sel #fc562dff

> color sel #fc562eff

> color sel #fc562fff

> color sel #fc552fff

[Repeated 1 time(s)]

> color sel #fc542fff

> color sel #fc532fff

[Repeated 1 time(s)]

> color sel #fc4f30ff

> color sel #fc4e31ff

> color sel #fc4a34ff

> color sel #fc4037ff

> color sel #fc3d38ff

> color sel #fc3b38ff

> color sel #fc3839ff

> color sel #fc3942ff

> color sel #fc3845ff

> color sel #fc3847ff

> color sel #fc3849ff

> color sel #fc384bff

> color sel #fc384dff

> color sel #fc3754ff

> color sel #fc3656ff

> color sel #fc3659ff

> color sel #fc365cff

> color sel #fc355dff

> color sel #fc355fff

> color sel #fc3463ff

> color sel #fc3364ff

> color sel #fc3366ff

> color sel #fc326aff

> color sel #fc326bff

> color sel #fc326dff

> color sel #fc316dff

[Repeated 1 time(s)]

> color sel #fc316eff

> color sel #fc326eff

[Repeated 1 time(s)]

> color sel #fc326fff

[Repeated 1 time(s)]

> color sel #fc3370ff

> color sel #fc3d80ff

> color sel #fc438aff

> color sel #fc4999ff

> color sel #fc4aa1ff

> color sel #fc4aa2ff

> color sel #fc49a5ff

> color sel #fc46afff

> color sel #fc44b3ff

> color sel #fc43b7ff

> color sel #fc3ebfff

> color sel #fc3ec0ff

[Repeated 1 time(s)]

> color sel #fc3dc2ff

[Repeated 1 time(s)]

> color sel #fc3dc3ff

> color sel #fc3dc5ff

> color sel #fc3dc7ff

> color sel #fc3dc9ff

> color sel #fc3dceff

> color sel #fc3ecfff

> color sel #fc3ed1ff

> color sel #fc3fd2ff

> color sel #fc3fd3ff

> color sel #fc40d6ff

> color sel #fc46dfff

> color sel #fc49e5ff

> color sel #fc4debff

> color sel #fc53f6ff

> color sel #fc53f7ff

[Repeated 1 time(s)]

> color sel #fc54f7ff

[Repeated 1 time(s)]

> color sel #fc55efff

> color sel #fc54e9ff

> color sel #fc53e3ff

> color sel #fc51dcff

> color sel #fc50d6ff

> color sel #fc4ed0ff

> color sel #fc4bcaff

> color sel #fc47c3ff

> color sel #fc3dacff

> color sel #fc39a5ff

> color sel #fc349bff

> color sel #fc3193ff

> color sel #fc3091ff

> color sel #fc2e8cff

> color sel #fc2c89ff

> color sel #fc267cff

> color sel #fc2478ff

> color sel #fc2272ff

> color sel #fc2171ff

> color sel #fc2373ff

> color sel #fc2776ff

> color sel #fc3988ff

> color sel #fc66b8ff

> color sel #fc95f0ff

> color sel #d6a9fcff

> color sel #cea9fcff

> color sel #caa8fcff

> color sel #c5a7fcff

> color sel #c0a6fcff

> color sel #b7a4fcff

> color sel #9999fcff

> color sel #959bfcff

> color sel #919cfcff

> color sel #869efcff

> color sel #859efcff

[Repeated 1 time(s)]

> color sel #859ffcff

> color sel #829ffcff

> color sel #78a0fcff

> color sel #719ffcff

> color sel #619efcff

> color sel #499dfcff

> color sel #469cfcff

> color sel #439cfcff

> color sel #3b9bfcff

> color sel #399bfcff

> color sel #389bfcff

[Repeated 2 time(s)]

> color sel #389cfcff

> color sel #3fabfcff

> color sel #43b6fcff

> color sel #48d4fcff

> color sel #48dafcff

> color sel #48defcff

> color sel #47e1fcff

> color sel #47e4fcff

> color sel #47e5fcff

> color sel #46e8fcff

> color sel #46eafcff

> color sel #45ecfcff

> color sel #44f9fcff

> color sel #43fcfcff

> color sel #43fcfaff

> color sel #42fcf5ff

> color sel #42fcf4ff

> color sel #42fcf2ff

> color sel #4efce4ff

> color sel #56fcddff

> color sel #5efcd5ff

> color sel #67fccdff

> color sel #6efcc4ff

> color sel #72fcbbff

> color sel #7cfca1ff

> color sel #7dfc9aff

> color sel #7cfc83ff

> color sel #78fc79ff

> color sel #76fc75ff

> color sel #75fc73ff

> color sel #71fc67ff

> color sel #70fc66ff

> color sel #70fc65ff

> color sel #70fc64ff

> color sel #6efc62ff

> color sel #6efc61ff

> color sel #6dfc5fff

> color sel #6dfc5dff

> color sel #6bfc58ff

> color sel #6bfc57ff

> color sel #6bfc56ff

> color sel #6cfc56ff

[Repeated 1 time(s)]

> color sel #6dfc55ff

[Repeated 2 time(s)]

> color sel #6ffc54ff

[Repeated 1 time(s)]

> color sel #70fc54ff

> color sel #70fc53ff

> color sel #71fc53ff

> color sel #72fc53ff

> color sel #74fc52ff

> color sel #75fc51ff

[Repeated 1 time(s)]

> color sel #75fc50ff

> color sel #6cfc49ff

> color sel #68fc47ff

> color sel #63fc44ff

> color sel #5ffc42ff

> color sel #57fc3dff

> color sel #54fc3cff

> color sel #51fc3bff

> color sel #4efc3aff

> color sel #4bfc39ff

> color sel #47fc38ff

> color sel #40fc35ff

> color sel #3ffc35ff

> color sel #3dfc35ff

> color sel #39fc33ff

[Repeated 1 time(s)]

> color sel #39fb33ff

> color sel #33e22eff

> color sel #30d72cff

> color sel #2fcf2aff

> color sel #2dc829ff

> color sel #2cc428ff

> color sel #2cc328ff

> color sel #2bc127ff

> color sel #2bc027ff

[Repeated 1 time(s)]

> color sel #2bbf27ff

> color sel #28b224ff

> color sel #27ad23ff

> color sel #26ab23ff

> color sel #26aa23ff

> color sel #26a922ff

> color sel #26a722ff

[Repeated 1 time(s)]

> color sel byhetero

> select clear

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> select add #1

2041 atoms, 2076 bonds, 1 pseudobond, 267 residues, 4 models selected  

> select subtract #1

120 atoms, 120 bonds, 4 residues, 2 models selected  

> select add #2

2095 atoms, 2136 bonds, 1 pseudobond, 274 residues, 3 models selected  

> select subtract #2

47 atoms, 46 bonds, 1 residue, 1 model selected  

> select H

2121 atoms, 266 residues, 1 model selected  

> hide sel atoms

> select clear

> select ::name="HOH"

4 atoms, 4 residues, 2 models selected  

> show sel atoms

> style sel sphere

Changed 4 atom styles  

> color sel byhetero

> select clear

[Repeated 4 time(s)]

> select HOH

Expected an objects specifier or a keyword  

> select HOH atoms

Expected an objects specifier or a keyword  

> select ::name="HOH"

4 atoms, 4 residues, 2 models selected  

> select add #2

2050 atoms, 2090 bonds, 1 pseudobond, 275 residues, 3 models selected  

> select subtract #2

2 atoms, 2 residues, 1 model selected  

> select ::name="HOH"

4 atoms, 4 residues, 2 models selected  

> ui tool show H-Bonds

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true
    
    
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	1 8x2k
    	2 8ww2
    
    8 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    8x2k #1/A HOH 501 O   8x2k #1/A TYR 280 OH  no hydrogen  3.217  N/A
    8ww2 #2/R HIS 96 NE2  8ww2 #2/R HOH 701 O   no hydrogen  3.304  N/A
    8ww2 #2/R TYR 280 OH  8ww2 #2/R HOH 702 O   no hydrogen  2.982  N/A
    8ww2 #2/R HOH 701 O   8ww2 #2/R HIS 96 NE2  no hydrogen  3.304  N/A
    8ww2 #2/R HOH 701 O   8ww2 #2/R OLA 601 O2  no hydrogen  2.722  N/A
    8ww2 #2/R HOH 702 O   8ww2 #2/R TYR 280 OH  no hydrogen  2.982  N/A
    8ww2 #2/R HOH 702 O   8ww2 #2/R OLA 601 O1  no hydrogen  2.993  N/A
    8ww2 #2/R HOH 702 O   8ww2 #2/R OLA 601 O2  no hydrogen  3.443  N/A
    

  
8 hydrogen bonds found  

> hbonds sel color #050308 radius 0.03 dashes 9 interModel false intraMol
> false intraRes false select true reveal true log true
    
    
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	1 8x2k
    	2 8ww2
    
    8 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    8x2k #1/A HOH 501 O   8x2k #1/A TYR 280 OH  no hydrogen  3.217  N/A
    8ww2 #2/R HIS 96 NE2  8ww2 #2/R HOH 701 O   no hydrogen  3.304  N/A
    8ww2 #2/R TYR 280 OH  8ww2 #2/R HOH 702 O   no hydrogen  2.982  N/A
    8ww2 #2/R HOH 701 O   8ww2 #2/R HIS 96 NE2  no hydrogen  3.304  N/A
    8ww2 #2/R HOH 701 O   8ww2 #2/R OLA 601 O2  no hydrogen  2.722  N/A
    8ww2 #2/R HOH 702 O   8ww2 #2/R TYR 280 OH  no hydrogen  2.982  N/A
    8ww2 #2/R HOH 702 O   8ww2 #2/R OLA 601 O1  no hydrogen  2.993  N/A
    8ww2 #2/R HOH 702 O   8ww2 #2/R OLA 601 O2  no hydrogen  3.443  N/A
    

  
8 hydrogen bonds found  

> select clear

> select ::name="HOH"

4 atoms, 4 residues, 2 models selected  

> style sel ball

Changed 4 atom styles  

> select clear

[Repeated 2 time(s)]

> hide #!2 models

> hide #!3 models

> select clear

> show #!2 models

> hide #!1 models

> show #!1 models

> show #!3 models

> select add #3

4141 atoms, 4187 bonds, 1 pseudobond, 266 residues, 2 models selected  

> select add #2

6189 atoms, 6277 bonds, 9 pseudobonds, 539 residues, 5 models selected  

> select add #1

8110 atoms, 8233 bonds, 11 pseudobonds, 802 residues, 8 models selected  

> select subtract #2

6062 atoms, 6143 bonds, 3 pseudobonds, 529 residues, 5 models selected  

> select subtract #1

4141 atoms, 4187 bonds, 1 pseudobond, 266 residues, 2 models selected  

> select subtract #3

Nothing selected  

> select clear

> open /Users/dongju/Downloads/emd_38015_8X2K.map

Opened emd_38015_8X2K.map as #4, grid size 320,320,320, pixel 0.85, shown at
level 0.177, step 2, values float32  

> volume #4 level 0.4238

> hide #!2 models

> hide #!3 models

> color #4 #bf8883ff models

> transparency 50

> volume #4 level 0.5886

> volume #4 level 0.465

> fitmap #1 inMap #4

Fit molecule 8x2k (#1) to map emd_38015_8X2K.map (#4) using 1921 atoms  
average map value = 0.907, steps = 48  
shifted from previous position = 0.015  
rotated from previous position = 0.0873 degrees  
atoms outside contour = 588, contour level = 0.465  
  
Position of 8x2k (#1) relative to emd_38015_8X2K.map (#4) coordinates:  
Matrix rotation and translation  
0.99999891 -0.00055264 0.00136564 -0.14152221  
0.00055318 0.99999977 -0.00038973 -0.02175877  
-0.00136542 0.00039048 0.99999899 0.14489849  
Axis 0.25597560 0.89601911 0.36280330  
Axis point 106.88170121 0.00000000 103.12500396  
Rotation angle (degrees) 0.08731843  
Shift along axis -0.00315286  
  

> volume #4 level 0.3963

> ui mousemode right "map eraser"

> volume erase #4 center 127.51,123.25,165.71 radius 18.278 outside true

Opened emd_38015_8X2K.map copy as #6, grid size 320,320,320, pixel 0.85, shown
at step 1, values float32  

Window position QRect(1505,961 543x106) outside any known screen, using
primary screen  

QDockWidget failed to find relevant screen info. screenFrom:
QScreen(0x600002333a20, name="P24h-2L") screenTo: QScreen(0x600002333a20,
name="P24h-2L") wdgScreen: QScreen(0x600002333a20, name="P24h-2L")
orgWdgScreen QScreen(0x0)  

[Repeated 29 time(s)]

> volume erase #6 center 142,114.56,175.19 radius 8.024

> volume erase #6 center 136.19,104.28,165.16 radius 8.024

> volume erase #6 center 128.24,98.937,169.56 radius 8.024

> volume erase #6 center 126.39,104.21,161.15 radius 8.024

> volume erase #6 center 115.72,109.49,164.49 radius 8.024

> volume erase #6 center 132.54,123.1,182.79 radius 8.024

> volume erase #6 center 125.6,122.84,182.82 radius 8.024

> volume erase #6 center 129.85,131.24,173.66 radius 8.024

> volume erase #6 center 112.27,123.76,168.47 radius 8.024

> volume erase #6 center 115.5,115.26,169.04 radius 8.024

> undo

> ui mousemode right "map eraser"

Window position QRect(1505,961 543x106) outside any known screen, using
primary screen  

QDockWidget failed to find relevant screen info. screenFrom:
QScreen(0x600002333a20, name="P24h-2L") screenTo: QScreen(0x600002333a20,
name="P24h-2L") wdgScreen: QScreen(0x600002333a20, name="P24h-2L")
orgWdgScreen QScreen(0x0)  

[Repeated 31 time(s)]

> volume erase #6 center 116.48,128.87,176.5 radius 9.5658

> volume erase #6 center 123.67,132.4,168.66 radius 9.5658

> volume erase #6 center 123.1,126.91,155.3 radius 9.5658

> volume erase #6 center 125.01,117.12,159.44 radius 9.5658

> volume erase #6 center 136.08,107.51,167.69 radius 9.5658

> volume erase #6 center 123.64,103.8,167.02 radius 9.5658

> volume erase #6 center 136.62,115.75,158.76 radius 9.5658

> hide #!1 cartoons

> volume erase #6 center 130.23,127.73,158.64 radius 9.5658

> volume erase #6 center 131.66,131.14,153.87 radius 9.5658

> volume erase #6 center 140.88,132.78,176.18 radius 9.5658

> volume erase #6 center 142.88,137.99,164.91 radius 9.5658

> volume erase #6 center 129.75,139.75,165.34 radius 9.5658

> volume erase #6 center 128.93,134.45,168.38 radius 9.5658

> volume erase #6 center 134.52,113.7,179.21 radius 9.5658

> volume erase #6 center 132.74,109.33,180.49 radius 9.5658

> volume erase #6 center 132.82,122.81,156.79 radius 9.5658

> volume erase #6 center 122.17,117.24,157.44 radius 9.5658

> volume erase #6 center 120.58,131.5,164.85 radius 9.5658

> volume erase #6 center 115.75,128.65,163.98 radius 9.5658

> volume erase #6 center 139.63,135.19,156.83 radius 9.5658

> volume erase #6 center 136.82,136.03,161.61 radius 9.5658

> volume erase #6 center 135.65,122.9,180.03 radius 9.5658

> volume erase #6 center 127.19,136.49,183.98 radius 9.5658

> volume erase #6 center 126.46,115.47,154.19 radius 9.5658

> volume erase #6 center 141.41,122.41,149.22 radius 9.5658

> volume erase #6 center 140.71,109.81,171.26 radius 9.5658

> volume erase #6 center 131.13,114.42,168.7 radius 3.5872

> volume erase #6 center 129.51,115.56,167.48 radius 3.5872

> volume erase #6 center 143.93,119.91,165 radius 3.5872

> volume erase #6 center 147.72,123.04,164 radius 3.5872

> volume erase #6 center 141.43,120.71,170.51 radius 3.5872

> volume erase #6 center 139.15,121.13,170.31 radius 3.5872

> volume erase #6 center 139.59,120.06,162.9 radius 3.5872

> volume erase #6 center 144.6,126.91,169.16 radius 3.5872

> volume erase #6 center 142.9,123.29,172.77 radius 3.5872

> volume erase #6 center 135.18,116.13,148.01 radius 3.5872

> volume erase #6 center 127.53,122.57,149.89 radius 3.5872

> volume erase #6 center 142.81,125.98,172.3 radius 3.5872

> volume erase #6 center 125.5,111.69,182.44 radius 3.5872

> volume erase #6 center 119.49,113.64,177.23 radius 3.5872

> volume erase #6 center 141.1,118.59,171.25 radius 3.5872

> volume erase #6 center 119.87,112.45,173.34 radius 3.5872

> volume erase #6 center 121.27,112.17,169.3 radius 3.5872

> volume erase #6 center 122.64,117.8,167.35 radius 3.5872

> volume erase #6 center 140.15,123.5,171.95 radius 3.3695

> show #!1 cartoons

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_GPR3.cxs"

> lighting flat

> lighting soft

> lighting shadows true intensity 0.5

> ui mousemode right select

> select clear

[Repeated 2 time(s)]

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8X2K_overall.png" width 3000
> height 1903 supersample 3 transparentBackground true

> hide #!1 models

> show #!1 models

> hide #!1 cartoons

> select add #6

2 models selected  

> volume sel style mesh

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8X2K_ligand_mesh.png" width
> 2000 height 1269 supersample 3 transparentBackground true

> select add #6

2 models selected  

> volume sel style surface

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8X2K_ligand_surface.png" width
> 2000 height 1269 supersample 3 transparentBackground true

> hide #!1 models

> show #!1 models

> hide #!6 models

> show #!6 models

> select add #1

1921 atoms, 1956 bonds, 2 pseudobonds, 263 residues, 3 models selected  

> show sel cartoons

> select clear

> show #!2 models

> hide #!1 models

> hide #!6 models

> open /Users/dongju/Downloads/emd_37881_8WW2.map

Opened emd_37881_8WW2.map as #5, grid size 256,256,256, pixel 1.1, shown at
level 0.322, step 1, values float32  

> ui tool show "Volume Viewer"

> volume #5 level 1.109

> ui tool show "Fit in Map"

> fitmap #2 inMap #5

Fit molecule 8ww2 (#2) to map emd_37881_8WW2.map (#5) using 2048 atoms  
average map value = 0.2273, steps = 108  
shifted from previous position = 1.3  
rotated from previous position = 5.34 degrees  
atoms outside contour = 1882, contour level = 1.1093  
  
Position of 8ww2 (#2) relative to emd_37881_8WW2.map (#5) coordinates:  
Matrix rotation and translation  
0.93399282 0.35338446 0.05269577 -53.98910026  
-0.25181302 0.75569361 -0.60458033 160.37968845  
-0.25347115 0.55140420 0.79479921 -8.76457449  
Axis 0.86250634 0.22843810 -0.45155160  
Axis point 0.00000000 104.61289764 225.25740459  
Rotation angle (degrees) 42.07717898  
Shift along axis -5.97145309  
  

> select add #5

4 models selected  

> ui mousemode right "translate selected models"

> view matrix models #5,1,0,0,-7.105,0,1,0,-3.3134,0,0,1,-1.3607

> ui mousemode right "rotate selected models"

> view matrix models
> #5,0.95945,0.0019066,-0.28188,36.818,-0.040684,0.99044,-0.13178,21.749,0.27893,0.13791,0.95036,-53.242

> ui mousemode right "translate selected models"

> view matrix models
> #5,0.95945,0.0019066,-0.28188,42.412,-0.040684,0.99044,-0.13178,24.246,0.27893,0.13791,0.95036,-50.7

> view matrix models
> #5,0.95945,0.0019066,-0.28188,43.465,-0.040684,0.99044,-0.13178,19.488,0.27893,0.13791,0.95036,-49.071

> ui mousemode right "rotate selected models"

> view matrix models
> #5,0.94577,0.15382,-0.28611,24.668,-0.20098,0.96905,-0.14337,46.665,0.25521,0.1931,0.94741,-53.064

> view matrix models
> #5,0.9292,0.10856,-0.35328,42.518,-0.16119,0.97922,-0.12305,36.856,0.33258,0.17128,0.92739,-58.179

> view matrix models
> #5,0.92379,-0.065525,-0.37724,70.964,-0.13791,0.86218,-0.48747,99.73,0.35719,0.50235,0.78744,-88.974

> view matrix models
> #5,0.8279,0.50151,-0.25112,-12.256,-0.55781,0.68954,-0.46192,179.64,-0.058502,0.52251,0.85063,-41.831

> view matrix models
> #5,0.89237,0.36679,-0.26293,-0.83787,-0.44914,0.77876,-0.43797,148.54,0.044116,0.50892,0.85968,-55.627

> view matrix models
> #5,0.8829,0.3169,-0.3465,18.9,-0.44818,0.78885,-0.42053,144.61,0.14007,0.52658,0.83851,-68.738

> view matrix models
> #5,0.91961,0.31846,-0.23,-2.3946,-0.39005,0.80976,-0.43835,135.92,0.046645,0.49282,0.86888,-54.981

> view matrix models
> #5,0.95245,0.15168,-0.26425,21.041,-0.25161,0.88066,-0.40142,101.42,0.17183,0.44882,0.87695,-67.556

> view matrix models
> #5,0.96202,0.071376,-0.2635,30.853,-0.21539,0.79147,-0.57199,132.1,0.16773,0.60702,0.77678,-75.493

> ui mousemode right "translate selected models"

> view matrix models
> #5,0.96202,0.071376,-0.2635,30.813,-0.21539,0.79147,-0.57199,138.5,0.16773,0.60702,0.77678,-71.707

> ui mousemode right "rotate selected models"

> view matrix models
> #5,0.95807,0.19822,-0.20693,5.8585,-0.28402,0.75269,-0.59396,156.61,0.038016,0.62783,0.77743,-56.428

> view matrix models
> #5,0.94976,0.24396,-0.19605,-0.87055,-0.31295,0.73323,-0.60368,164.74,-0.0035254,0.63471,0.77274,-50.899

> ui mousemode right "translate selected models"

> view matrix models
> #5,0.94976,0.24396,-0.19605,-1.0075,-0.31295,0.73323,-0.60368,166.12,-0.0035254,0.63471,0.77274,-49.751

> fitmap #2 inMap #5

Fit molecule 8ww2 (#2) to map emd_37881_8WW2.map (#5) using 2048 atoms  
average map value = 0.329, steps = 76  
shifted from previous position = 1.39  
rotated from previous position = 8.43 degrees  
atoms outside contour = 1708, contour level = 1.1093  
  
Position of 8ww2 (#2) relative to emd_37881_8WW2.map (#5) coordinates:  
Matrix rotation and translation  
0.91950152 0.12557835 0.37248763 -66.96689278  
-0.16246606 0.98428326 0.06921873 17.35756690  
-0.35794097 -0.12416333 0.92545218 75.38744531  
Axis -0.23914600 0.90328481 -0.35621024  
Axis point 170.94087250 0.00000000 213.61763802  
Rotation angle (degrees) 23.84839592  
Shift along axis 4.83991131  
  

> view matrix models
> #5,0.94976,0.24396,-0.19605,-1.0108,-0.31295,0.73323,-0.60368,166.07,-0.0035254,0.63471,0.77274,-49.77

> select subtract #5

Nothing selected  

> volume #5 level 1.488

> select add #5

4 models selected  

> view matrix models
> #5,0.94976,0.24396,-0.19605,-0.8891,-0.31295,0.73323,-0.60368,166,-0.0035254,0.63471,0.77274,-49.393

> ui mousemode right "rotate selected models"

> view matrix models
> #5,0.90637,0.30351,-0.29389,10.083,-0.41806,0.74462,-0.52036,168.02,0.060903,0.5945,0.80178,-56.771

> view matrix models
> #5,0.92471,0.31681,-0.21105,-5.5286,-0.38013,0.79797,-0.46771,148.1,0.020234,0.51272,0.85832,-47.203

> view matrix models
> #5,0.87818,0.44033,-0.18683,-19.512,-0.47312,0.74212,-0.47477,169.99,-0.070402,0.50533,0.86005,-33.611

> view matrix models
> #5,0.96541,0.15763,-0.20769,10.555,-0.24143,0.84124,-0.48377,124.63,0.098463,0.51718,0.8502,-57.772

> volume #5 level 0.7885

> volume #5 step 2

> volume #5 step 1

> view matrix models
> #5,0.90157,0.39956,-0.16591,-21.23,-0.42572,0.75103,-0.5047,167.3,-0.077056,0.52565,0.8472,-33.228

> view matrix models
> #5,0.91439,0.404,0.025785,-48.997,-0.36846,0.85696,-0.36036,124.44,-0.16768,0.32001,0.93246,-1.1627

> view matrix models
> #5,0.90443,0.4027,-0.14084,-25.409,-0.41738,0.76692,-0.48747,161.49,-0.088297,0.49967,0.8617,-29.699

> ui mousemode right "translate selected models"

> view matrix models
> #5,0.90443,0.4027,-0.14084,-26.413,-0.41738,0.76692,-0.48747,161.95,-0.088297,0.49967,0.8617,-32.605

> view matrix models
> #5,0.90443,0.4027,-0.14084,-25.849,-0.41738,0.76692,-0.48747,162.3,-0.088297,0.49967,0.8617,-32.466

> ui mousemode right "rotate selected models"

> view matrix models
> #5,0.92025,0.34341,-0.18765,-13.265,-0.39131,0.81279,-0.43157,144.43,0.0043142,0.47058,0.88235,-44.314

> fitmap #2 inMap #5

Fit molecule 8ww2 (#2) to map emd_37881_8WW2.map (#5) using 2048 atoms  
average map value = 1.485, steps = 140  
shifted from previous position = 4.53  
rotated from previous position = 25.6 degrees  
atoms outside contour = 546, contour level = 0.7885  
  
Position of 8ww2 (#2) relative to emd_37881_8WW2.map (#5) coordinates:  
Matrix rotation and translation  
0.99999996 0.00012222 0.00026537 -0.07513565  
-0.00012223 0.99999999 0.00004628 0.01029297  
-0.00026536 -0.00004631 0.99999996 0.04239788  
Axis -0.15650920 0.89709431 -0.41319083  
Axis point 165.14679237 0.00000000 281.11680356  
Rotation angle (degrees) 0.01694827  
Shift along axis 0.00347477  
  

> view matrix models
> #5,0.91866,0.34702,-0.18877,-13.418,-0.39502,0.81217,-0.42934,144.76,0.0043231,0.46899,0.88319,-44.193

> view matrix models
> #5,0.91891,0.34712,-0.18738,-13.651,-0.39446,0.81283,-0.42862,144.49,0.0035265,0.46777,0.88384,-43.985

> fitmap #2 inMap #5

Fit molecule 8ww2 (#2) to map emd_37881_8WW2.map (#5) using 2048 atoms  
average map value = 1.485, steps = 44  
shifted from previous position = 0.108  
rotated from previous position = 0.247 degrees  
atoms outside contour = 548, contour level = 0.7885  
  
Position of 8ww2 (#2) relative to emd_37881_8WW2.map (#5) coordinates:  
Matrix rotation and translation  
0.99999993 -0.00012631 0.00036012 -0.04066985  
0.00012642 0.99999995 -0.00030626 0.02288320  
-0.00036008 0.00030630 0.99999989 -0.00138601  
Axis 0.62591382 0.73589748 0.25823787  
Axis point 2.55653855 0.00000000 97.33758639  
Rotation angle (degrees) 0.02803672  
Shift along axis -0.00897406  
  

> ui mousemode right select

> select clear

> volume #5 level 0.8177

> volume #!5 style image

[Repeated 1 time(s)]

> volume #!5 style surface

> transparency #5.1 50

> volume #5 change image level -0.1034,0 level 0.3212,0.8 level 9.069,1

> volume #5 level 0.526

> ui mousemode right "map eraser"

> volume erase #5 center 129.08,126.26,175.65 radius 14.086 outside true

Opened emd_37881_8WW2.map copy as #8, grid size 256,256,256, pixel 1.1, shown
at step 1, values float32  

> hide #!2 cartoons

> volume erase #8 center 132.73,134.06,181.07 radius 8.8704

> volume erase #8 center 123.22,143.01,175.92 radius 8.8704

> volume erase #8 center 126.34,138.23,176.54 radius 8.8704

> volume erase #8 center 123.1,136.44,172.4 radius 8.8704

> volume erase #8 center 133.5,118.49,184.72 radius 8.8704

> volume erase #8 center 130.68,114.11,180.62 radius 8.8704

> volume erase #8 center 133.71,110.82,173.85 radius 8.8704

> volume erase #8 center 139.97,119.37,181.39 radius 8.8704

> volume erase #8 center 128.97,125.27,186.28 radius 8.8704

> volume erase #8 center 138.92,115.29,172.66 radius 8.8704

> volume erase #8 center 126.08,128.57,164.84 radius 8.8704

> volume erase #8 center 131.88,123.79,163.63 radius 8.8704

> volume erase #8 center 131.8,119.64,171.9 radius 2.6752

> volume erase #8 center 127.99,116.9,169.62 radius 2.6752

> volume erase #8 center 127.72,114.89,165.99 radius 2.6752

> volume erase #8 center 125.74,117.48,172.43 radius 2.6752

> volume erase #8 center 124.41,115.77,170.2 radius 2.6752

> volume erase #8 center 124.9,114.59,173.59 radius 2.6752

> volume erase #8 center 126.71,114.11,171.83 radius 2.6752

> volume erase #8 center 122.83,114.96,172.56 radius 2.6752

> volume erase #8 center 124.04,114.17,173.93 radius 2.6752

> volume erase #8 center 123.28,117.16,179.85 radius 2.6752

> volume erase #8 center 119.13,117.47,182.77 radius 2.6752

> volume erase #8 center 119.63,118.49,183.56 radius 2.6752

> volume erase #8 center 120.36,122.2,181.63 radius 2.6752

> volume erase #8 center 120.12,126.6,185.16 radius 2.6752

> volume erase #8 center 120.53,131.8,185 radius 2.6752

> volume erase #8 center 119.62,130.25,185.06 radius 2.6752

> volume erase #8 center 118.43,127.92,184.85 radius 2.6752

> volume erase #8 center 122.49,133.78,183.77 radius 2.6752

> volume erase #8 center 115.19,130.14,180.01 radius 2.6752

> volume erase #8 center 113.75,128.84,180.2 radius 2.6752

> volume erase #8 center 115.67,132.32,180.14 radius 2.6752

> volume erase #8 center 115.13,127.99,176.33 radius 2.6752

> volume erase #8 center 117.62,127.49,170.29 radius 2.6752

> volume erase #8 center 121.06,128.17,173.73 radius 2.6752

> volume erase #8 center 118.41,127.89,171.18 radius 2.6752

> volume erase #8 center 118.46,129.16,172.58 radius 2.6752

> volume erase #8 center 118.1,126.3,171.9 radius 2.6752

> volume erase #8 center 116.68,121.64,172.99 radius 2.6752

> volume erase #8 center 119.78,122.6,168.51 radius 2.6752

> volume erase #8 center 119.32,117.8,168.12 radius 2.6752

> volume erase #8 center 125.46,123.88,170.24 radius 2.6752

> volume erase #8 center 123.18,120.41,167.11 radius 2.6752

> volume erase #8 center 121.58,116.58,167.74 radius 2.6752

> volume erase #8 center 125.47,119.8,170.75 radius 2.6752

> volume erase #8 center 120.87,116.15,178.38 radius 2.6752

> volume erase #8 center 138.19,128.06,185.02 radius 2.6752

> volume erase #8 center 126.82,126.58,178.55 radius 2.6752

> volume erase #8 center 125.47,127.68,175.58 radius 2.6752

> volume erase #8 center 125,127.48,174.51 radius 2.6752

> volume erase #8 center 123.46,129.67,180.61 radius 2.6752

> volume erase #8 center 124.49,129.56,182.67 radius 2.6752

> volume erase #8 center 126.72,124.17,178.91 radius 2.6752

> volume erase #8 center 115.36,123.16,169.06 radius 2.6752

> volume erase #8 center 137.76,130.39,167.52 radius 2.6752

> volume erase #8 center 137.44,133.42,169.51 radius 2.6752

> volume erase #8 center 134.92,135.56,168.98 radius 2.6752

> volume erase #8 center 131.73,135.74,167.68 radius 2.6752

> volume erase #8 center 134.23,134.44,164.63 radius 2.6752

> volume erase #8 center 136.07,137.48,172.31 radius 2.6752

> volume erase #8 center 133.32,132.73,171.21 radius 2.6752

> volume erase #8 center 132.66,129.88,171.79 radius 2.6752

> volume erase #8 center 136.37,131.27,172.58 radius 2.6752

> volume erase #8 center 139.33,134.06,173.1 radius 2.6752

> volume erase #8 center 137.19,130.43,169.86 radius 2.6752

> volume erase #8 center 141.58,131.99,171.85 radius 2.6752

> volume erase #8 center 140.33,131.13,174.85 radius 2.6752

> volume erase #8 center 143.02,125.79,175.07 radius 2.6752

> volume erase #8 center 142.74,124.1,167.11 radius 2.6752

> volume erase #8 center 140.07,127.39,178.97 radius 2.6752

> volume erase #8 center 141.7,129.37,175.9 radius 2.6752

> volume erase #8 center 139.07,133.03,177.52 radius 2.6752

> ui mousemode right select

> select clear

[Repeated 3 time(s)]

> show #!2 cartoons

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> select #8

2 models selected  
Drag select of 24 atoms, 76 residues, 21 bonds, 7 pseudobonds, 8
emd_37881_8WW2.map copy  
Drag select of 39 atoms, 144 residues, 35 bonds, 7 pseudobonds, 8
emd_37881_8WW2.map copy  

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> select clear

[Repeated 4 time(s)]

> hide #!8 models

> hide #!2 cartoons

> select clear

[Repeated 9 time(s)]

> select ligand

143 atoms, 142 bonds, 5 residues, 3 models selected  

> select clear

[Repeated 4 time(s)]

> show #!2 cartoons

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_GPR3_with maps.cxs"

> show #!8 models

> color #8 #ffd09280 models

> color #8 #ffd6ac80 models

> color #8 #ffeabc80 models

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_GPR3_8WW2.png" width 3000
> height 1903 supersample 3 transparentBackground true

> hide #!2 cartoons

> color #8 #ffeabc41 models

> color #8 #ffeabc40 models

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8WW2_surface.png" width 2000
> height 1269 supersample 3 transparentBackground true

> volume #!8 style mesh

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8WW2_mesh.png" width 2000
> height 1269 supersample 3 transparentBackground true

[Repeated 1 time(s)]

> volume #!8 style surface

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8WW2_surface.png" width 2000
> height 1269 supersample 3 transparentBackground true

> hide #!2 models

> show #!1 models

> hide #!8 models

> show #!6 models

> hide #!1 models

> show #!1 models

> hide #!1 cartoons

> volume #!6 style mesh

> color #6 #bf888342 models

> color #6 #bf888370 models

> hide #!6 models

> show #!6 models

> show #!1 cartoons

> select add #6

2 models selected  

> volume sel style surface

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8X2K_overall.png" width 3000
> height 1903 supersample 3 transparentBackground true

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_GPR3_with maps.cxs"

——— End of log from Mon Jun 17 15:55:50 2024 ———

opened ChimeraX session  

> show #!3 models

> hide #!1 models

> hide #!6 models

> ui tool show "Show Sequence Viewer"

> sequence chain #3/R

Alignment identifier is 3/R  

> select #3/R:96

17 atoms, 17 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 17 atom styles  

> show #!1 models

> show #!2 models

> hide (sel-residues & (protein|nucleic)) target a

> cartoon hide sel-residues

> show (sel-residues & ((protein&@ca)|(nucleic&@p))) target ab

> hide (sel-residues & (protein|nucleic)) target a

> cartoon hide sel-residues

> show (sel-residues & backbone) target ab

> show (sel-residues & sidechain) target ab

> ribbon suppressBackboneDisplay true

> ribbon sel suppressBackboneDisplay true

> ribbon sel suppressBackboneDisplay false

> ribbon sel suppressBackboneDisplay true

> ui mousemode right select

> select #3/R:280

21 atoms, 21 bonds, 1 residue, 1 model selected  

> show sel atoms

> select H

2121 atoms, 266 residues, 1 model selected  

> hide sel atoms

> select clear

> color #1-3 byhetero

> select clear

> hide #!2 models

> hide #!3 models

> select #1/A:96

10 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> select clear

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> ui tool show "Side View"

> show #!6 models

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting shadows true

> lighting shadows false

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8X2K_overall_v2.png" width
> 3000 height 1949 supersample 3 transparentBackground true

> show #!4 models

> hide #!6 models

> volume #!4 style mesh

> volume #!4 style surface

> volume #!4 style image

> volume #!4 style surface

> transparency #4.1 50

> ui mousemode right "map eraser"

> volume erase #4 center 130.88,123.09,167.02 radius 18.278 outside true

Opened emd_38015_8X2K.map copy as #9, grid size 320,320,320, pixel 0.85, shown
at step 1, values float32  

> volume erase #9 center 122.31,133.94,154.24 radius 18.224

> volume erase #9 center 130.45,95.963,162.54 radius 18.224

> volume erase #9 center 113.96,122.5,174.48 radius 5.032

> volume erase #9 center 117.33,126.37,181.13 radius 5.032

> volume erase #9 center 114.61,113.69,166.43 radius 5.032

> volume erase #9 center 114.43,117.27,169.78 radius 5.032

> volume erase #9 center 112.55,123.4,174.17 radius 5.032

> volume erase #9 center 113.05,123.04,170.37 radius 5.032

> volume erase #9 center 112.2,123.8,174.29 radius 5.032

> volume erase #9 center 115.88,113.27,169.86 radius 5.032

> volume erase #9 center 119.55,110.6,171.85 radius 5.032

> volume erase #9 center 114.48,125.87,179.79 radius 5.032

> volume erase #9 center 115.96,128.51,173.78 radius 5.032

> volume erase #9 center 112.94,123.39,172.63 radius 5.032

> volume erase #9 center 114.54,125.68,171.75 radius 5.032

> volume erase #9 center 116.25,119.68,169.12 radius 5.032

> volume erase #9 center 115.68,117.02,173.09 radius 5.032

> volume erase #9 center 116.7,111.14,166.69 radius 5.032

> volume erase #9 center 119.76,111.36,170.61 radius 5.032

> volume erase #9 center 128.92,112.06,178.21 radius 5.032

> volume erase #9 center 129.87,116.48,179.29 radius 5.032

> volume erase #9 center 129.72,114.86,178.03 radius 5.032

> volume erase #9 center 129.67,116,178.13 radius 5.032

> volume erase #9 center 134.38,135.13,171.54 radius 8.976

> volume erase #9 center 130.19,134.29,176.08 radius 8.976

> volume erase #9 center 140.54,122.46,178.15 radius 8.976

> show #!6 models

> select add #6

2 models selected  

> volume sel style mesh

> select subtract #6

Nothing selected  

> select add #6

2 models selected  

> select subtract #6

Nothing selected  

> select add #6

2 models selected  

Can only have one displayed volume when erasing  

[Repeated 5 time(s)]

> select add #9

5 models selected  

Can only have one displayed volume when erasing  

> hide #7 models

> show #7 models

> hide #!6 models

> select subtract #6

3 models selected  

> volume erase #9 center 128.67,127.89,182.98 radius 8.976

> volume erase #9 center 135.16,122.88,184.6 radius 8.976

> volume erase #9 center 133.56,128.01,180.51 radius 8.976

> volume erase #9 center 144.06,134.86,172.66 radius 8.976

> volume erase #9 center 147.26,131.12,171.99 radius 8.976

> volume erase #9 center 142.66,112.71,164.07 radius 8.976

> volume erase #9 center 136.26,113.68,176.37 radius 8.976

> volume erase #9 center 122.49,118.9,180.94 radius 5.032

> volume erase #9 center 115.89,125.37,170.33 radius 5.032

> volume erase #9 center 113.13,124.28,164.48 radius 5.032

> volume erase #9 center 114.01,122.51,161.81 radius 5.032

> volume erase #9 center 112.22,124,172.46 radius 5.032

> volume erase #9 center 117.31,128.31,180.82 radius 5.032

> volume erase #9 center 116.07,129.07,178.69 radius 5.032

> volume erase #9 center 114.96,129.74,176.68 radius 5.032

> volume erase #9 center 116.6,130.62,177.6 radius 5.032

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!9 models

> show #!9 models

> hide #!4 models

> volume erase #9 center 118.75,129.42,176.96 radius 5.032

> volume erase #9 center 125.45,124.61,174.09 radius 2.04

> volume erase #9 center 128.33,124.58,172.93 radius 2.04

> volume erase #9 center 128.51,125.45,171.18 radius 2.72

> volume erase #9 center 118.93,117.37,166.13 radius 2.72

> volume erase #9 center 118.58,116.66,164.63 radius 2.72

> volume erase #9 center 117.38,111.67,162.72 radius 2.72

> volume erase #9 center 121.01,112.56,164.66 radius 2.72

> volume erase #9 center 123.99,112.79,165.74 radius 2.72

> volume erase #9 center 127.29,113.97,167.19 radius 2.72

> hide #!1 models

> volume erase #9 center 133.61,117.17,163.38 radius 5.032

> volume erase #9 center 136.77,116.29,160.24 radius 5.032

> volume erase #9 center 129.96,114.16,163.19 radius 5.032

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> volume erase #9 center 129.2,119.46,162.27 radius 5.032

> volume erase #9 center 127.03,121.47,166.53 radius 1.224

> volume erase #9 center 126.53,120.62,166.5 radius 1.224

[Repeated 1 time(s)]

> volume erase #9 center 126.44,120.3,166.88 radius 1.224

> show #!6 models

> hide #!9 models

> show #!9 models

> show #!1 models

> select add #1

1921 atoms, 1956 bonds, 2 pseudobonds, 263 residues, 5 models selected  

> hide sel ribbons

Can only have one displayed volume when erasing  

> select subtract #1

2 models selected  

> select add #9

3 models selected  

> select subtract #9

Nothing selected  

> select add #9

3 models selected  

Can only have one displayed volume when erasing  

[Repeated 1 time(s)]

> hide #!6 models

> volume erase #9 center 127.8,120.24,167.11 radius 1.224

> volume erase #9 center 125.19,124.29,171.41 radius 1.224

> volume erase #9 center 125.08,124.08,170.24 radius 1.224

> volume erase #9 center 126.56,127.49,170.12 radius 1.224

> volume erase #9 center 124.92,124.39,170.78 radius 1.224

> volume erase #9 center 124.74,124.72,169.85 radius 1.224

> volume erase #9 center 127.29,123.4,175.53 radius 1.224

> volume erase #9 center 131.79,124.97,171.95 radius 2.312

> volume erase #9 center 130.89,116.38,173.27 radius 2.312

> volume erase #9 center 129.09,114.05,169.51 radius 2.312

> volume erase #9 center 129.32,114.2,169.61 radius 2.312

> volume erase #9 center 128.8,115.77,168.17 radius 2.312

> volume erase #9 center 134.3,114.04,168.46 radius 2.312

> volume erase #9 center 127.46,110.48,164.59 radius 2.312

> volume erase #9 center 125.58,111.26,168.38 radius 2.312

> volume erase #9 center 121,110.06,162.03 radius 2.312

> volume erase #9 center 119.25,109.36,159.33 radius 2.312

> volume erase #9 center 115.95,111.86,160.9 radius 2.312

> volume erase #9 center 117.47,113.27,160.44 radius 2.312

> volume erase #9 center 119.74,114.34,163.23 radius 2.312

> volume erase #9 center 125.52,115.68,165.69 radius 2.312

> volume erase #9 center 124.21,114.54,162.44 radius 2.312

> volume erase #9 center 120.24,114.83,161.49 radius 2.312

> volume erase #9 center 119.8,116.84,161.74 radius 2.312

> volume erase #9 center 122.34,116.24,160.05 radius 2.312

> volume erase #9 center 124.53,114.83,159.05 radius 2.312

> volume erase #9 center 121.96,115.22,155.5 radius 2.312

> volume erase #9 center 127.2,114.33,155.42 radius 2.312

> volume erase #9 center 128.19,114.83,154.14 radius 2.312

> volume erase #9 center 130.64,115.42,156.52 radius 2.312

> volume erase #9 center 135.89,121.73,159.88 radius 5.576

> volume erase #9 center 135.52,121.76,160.87 radius 5.576

> volume erase #9 center 135.22,117.93,152.41 radius 5.576

> volume erase #9 center 138.94,122.29,153.73 radius 5.576

> volume erase #9 center 145.1,119.1,156.14 radius 5.576

> volume erase #9 center 139.18,114.57,166.48 radius 5.576

[Repeated 1 time(s)]

> volume erase #9 center 140.34,118.64,167.69 radius 5.576

> volume erase #9 center 147.86,119.27,167.6 radius 5.576

> volume erase #9 center 150.46,124.56,165.65 radius 5.576

> volume erase #9 center 139.04,133.44,166.28 radius 5.576

> volume erase #9 center 128.35,128.21,165.71 radius 5.576

> volume erase #9 center 129.27,127.58,165.78 radius 5.576

> volume erase #9 center 137.2,131.35,160.79 radius 5.576

> volume erase #9 center 141.71,134.24,163.24 radius 5.576

> volume erase #9 center 142.69,133.06,162.59 radius 5.576

> volume erase #9 center 143.9,132.93,161 radius 5.576

> volume erase #9 center 141.89,131.71,158.06 radius 5.576

> volume erase #9 center 148.29,129.69,156.01 radius 5.576

> volume erase #9 center 145.13,130.71,154.65 radius 5.576

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

Can only have one displayed volume when erasing  

[Repeated 1 time(s)]

> hide #7 models

> show #7 models

> hide #!6 models

> volume erase #9 center 147.87,123.94,162.78 radius 3.536

> volume erase #9 center 117.89,120.64,165.62 radius 3.536

> volume erase #9 center 125.65,117.5,168.53 radius 1.768

> volume erase #9 center 124.39,123.38,175.14 radius 1.768

> volume sel style mesh

> ui mousemode right select

> select clear

> ui tool show "Show Sequence Viewer"

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> sequence chain #1/A

Alignment identifier is 1/A  

Could not find virtual screen for QCocoaScreen(0x6000002f27e0, "DELL P2422H",
QRect(-1920,0 1920x1080), dpr=1, displayId=4128833, ) with displayId 4128833  

> select #1/A:96

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/A:96

10 atoms, 10 bonds, 1 residue, 1 model selected  

> ribbon sel suppressBackboneDisplay true

> hide sel ribbons

> ribbon sel suppressBackboneDisplay true

> select clear

> hide #!9 models

> select #1/A:96

10 atoms, 10 bonds, 1 residue, 1 model selected  

> hide sel ribbons

> select clear

> select #1/A:96@C

1 atom, 1 residue, 1 model selected  
Drag select of 2 atoms, 1 bonds  
Drag select of 2 atoms, 2 bonds  

> hide sel atoms

Drag select of 2 atoms, 1 bonds  

> hide sel atoms

> show #!9 models

> ui mousemode right "map eraser"

> volume erase #9 center 120.66,116.98,161.77 radius 3.5995

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8X2K_ligand_mesh_v2.png" width
> 2000 height 1299 supersample 3 transparentBackground true

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> ui mousemode right distance

> distance #1/A:96@NE2 #1/A:502@O

Distance between 8x2k #1/A HIS 96 NE2 and HOH 502 O: 4.321Å  

> hide #7.1 models

> color #7 black models

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8X2K_ligand_mesh_v3.png" width
> 2000 height 1299 supersample 3 transparentBackground true

> hide #!1 models

> hide #!9 models

> show #!2 models

> show #!5 models

> ui mousemode right "map eraser"

> volume erase #5 center 127.27,124.6,175.16 radius 14.985 outside true

Opened emd_37881_8WW2.map copy as #11, grid size 256,256,256, pixel 1.1, shown
at step 1, values float32  

> select add #2

2050 atoms, 2091 bonds, 8 pseudobonds, 274 residues, 4 models selected  

> hide sel ribbons

> select subtract #2

2 atoms, 1 bond, 1 residue, 1 model selected  

> hide #!2 models

> show #!2 models

> show #!8 models

> hide #!11 models

> hide #10 models

> ui mousemode right select

Drag select of 44 atoms, 46 bonds  

> hide sel atoms

Drag select of 9 atoms, 7 bonds  

> hide sel atoms

> select add #8

9 atoms, 7 bonds, 1 residue, 3 models selected  

> volume sel style mesh

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_8WW2_mesh_v2.png" width 2000
> height 1299 supersample 3 transparentBackground true

> hide #!2 models

> show #!3 models

> hide #!8 models

> hide #!7 models

> open /Users/dongju/Downloads/emd_42023.map.gz

File reader requires uncompressed file;
'/Users/dongju/Downloads/emd_42023.map.gz' is compressed  

> open /Users/dongju/Downloads/emd_42023.map

Opened emd_42023.map as #10, grid size 256,256,256, pixel 0.86, shown at level
0.167, step 1, values float32  

> ui tool show "Fit in Map"

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

[Repeated 1 time(s)]

> fitmap #3 inMap #10

Fit molecule 8u8f (#3) to map emd_42023.map (#10) using 4141 atoms  
average map value = 0.1101, steps = 192  
shifted from previous position = 16.7  
rotated from previous position = 9.16 degrees  
atoms outside contour = 2995, contour level = 0.16691  
  
Position of 8u8f (#3) relative to emd_42023.map (#10) coordinates:  
Matrix rotation and translation  
0.88449228 -0.43560265 -0.16710398 92.49693760  
-0.33231245 -0.83960005 0.42969779 210.58389705  
-0.32747801 -0.32453365 -0.88737594 304.93232510  
Axis -0.96947337 0.20614143 0.13276707  
Axis point 0.00000000 147.04753663 136.68586676  
Rotation angle (degrees) 157.10831354  
Shift along axis -5.77828007  
  

> rename #10 emd_42023_8U8F.map

> undo

[Repeated 4 time(s)]

> hide #!10 models

> show #!10 models

> hide #!10 models

> hide #!7 models

> show #!7 models

> show #7.1 models

> hide #7.1 models

> show #7.1 models

> hide #!8 models

> hide #!2 models

> show #!2 models

> show #!1 models

> show #!3 models

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4_GPR3_updated_no8U9F.cxs"

——— End of log from Mon Sep 23 15:26:47 2024 ———

opened ChimeraX session  

Could not find virtual screen for QCocoaScreen(0x6000002f27e0, "DELL P2422H",
QRect(-1920,0 1920x1080), dpr=1, displayId=4128833, ) with displayId 4128833  

[Repeated 1 time(s)]

> show #!10 models

> ui mousemode right translate

> select add #10

9 atoms, 7 bonds, 1 residue, 3 models selected  

> ui mousemode right "translate selected models"

> view matrix models
> #2,0.91902,0.34695,-0.18716,-23.279,-0.3942,0.81275,-0.42901,138.04,0.0032674,0.46804,0.8837,-28.74,#10,1,0,0,-9.5979,0,1,0,-6.4832,0,0,1,15.236

> view matrix models
> #2,0.91902,0.34695,-0.18716,-28.621,-0.3942,0.81275,-0.42901,135.08,0.0032674,0.46804,0.8837,-20.164,#10,1,0,0,-14.94,0,1,0,-9.443,0,0,1,23.812

> view matrix models
> #2,0.91902,0.34695,-0.18716,-19.32,-0.3942,0.81275,-0.42901,147.7,0.0032674,0.46804,0.8837,-34.002,#10,1,0,0,-5.6394,0,1,0,3.1727,0,0,1,9.9738

> view matrix models
> #2,0.91902,0.34695,-0.18716,-22.6,-0.3942,0.81275,-0.42901,146.72,0.0032674,0.46804,0.8837,-28.615,#10,1,0,0,-8.9194,0,1,0,2.1914,0,0,1,15.361

> ui mousemode right "rotate selected models"

> view matrix models
> #2,-0.55026,-0.35997,0.75342,101.56,-0.41995,0.89919,0.1229,66.698,-0.7217,-0.24877,-0.64595,338.13,#10,-0.7716,-0.39887,0.49552,170.44,-0.096972,0.84363,0.52809,-33.331,-0.62868,0.35942,-0.68962,247.26

> view matrix models
> #2,-0.4284,-0.60842,0.66806,117.88,-0.16046,0.77881,0.60639,-24.337,-0.88923,0.15258,-0.43127,297.28,#10,-0.72983,-0.61222,0.30419,209.76,0.0092519,0.43609,0.89986,-47.663,-0.68356,0.65956,-0.31261,178.86

> ui mousemode right "translate selected models"

> view matrix models
> #2,-0.4284,-0.60842,0.66806,127.97,-0.16046,0.77881,0.60639,12.444,-0.88923,0.15258,-0.43127,285.66,#10,-0.72983,-0.61222,0.30419,219.84,0.0092519,0.43609,0.89986,-10.883,-0.68356,0.65956,-0.31261,167.24

> ui mousemode right select

> select clear

Fit in map shortcut requires 1 displayed atomic model and 1 map or two maps,
got 3 atomic models, 1 maps.  

> ui tool show "Fit in Map"

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

[Repeated 1 time(s)]

> fitmap #3 inMap #10

Fit molecule 8u8f (#3) to map emd_42023_8U8F.map (#10) using 4141 atoms  
average map value = 0.1039, steps = 140  
shifted from previous position = 6.04  
rotated from previous position = 13.2 degrees  
atoms outside contour = 3150, contour level = 0.16691  
  
Position of 8u8f (#3) relative to emd_42023_8U8F.map (#10) coordinates:  
Matrix rotation and translation  
-0.58378611 0.39230421 0.71083837 40.11433254  
-0.81057672 -0.33172350 -0.48262294 278.52181831  
0.04646678 -0.85793760 0.51164823 136.24670506  
Axis -0.26347291 0.46639243 -0.84442888  
Axis point 67.32370020 166.66693468 0.00000000  
Rotation angle (degrees) 134.58210932  
Shift along axis 4.28077393  
  

> hide #!1 models

> hide #!2 models

> volume #10 level 0.3641

> ui mousemode right "translate selected models"

> select add #10

2 models selected  

> view matrix models
> #10,-0.72983,-0.61222,0.30419,232.85,0.0092519,0.43609,0.89986,-3.0164,-0.68356,0.65956,-0.31261,178.23

> view matrix models
> #10,-0.72983,-0.61222,0.30419,239.92,0.0092519,0.43609,0.89986,-11.331,-0.68356,0.65956,-0.31261,177.48

> hide #!10 models

> show #!10 models

> ui mousemode right "rotate selected models"

> view matrix models
> #10,0.34978,-0.91732,-0.19019,203.67,-0.74194,-0.3952,0.54161,197.32,-0.572,-0.048329,-0.81883,292.62

> ui mousemode right "translate selected models"

> view matrix models
> #10,0.34978,-0.91732,-0.19019,199.94,-0.74194,-0.3952,0.54161,195.51,-0.572,-0.048329,-0.81883,291.08

> view matrix models
> #10,0.34978,-0.91732,-0.19019,197.99,-0.74194,-0.3952,0.54161,193.99,-0.572,-0.048329,-0.81883,291.98

> ui mousemode right "rotate selected models"

> view matrix models
> #10,0.71492,-0.67613,-0.17814,131.3,-0.60499,-0.72591,0.32717,235.51,-0.35053,-0.12613,-0.92802,286.93

> ui mousemode right "translate selected models"

> view matrix models
> #10,0.71492,-0.67613,-0.17814,132.86,-0.60499,-0.72591,0.32717,236.4,-0.35053,-0.12613,-0.92802,287.2

> view matrix models
> #10,0.71492,-0.67613,-0.17814,134.6,-0.60499,-0.72591,0.32717,236.6,-0.35053,-0.12613,-0.92802,287.56

> ui mousemode right "rotate selected models"

> view matrix models
> #10,0.71493,-0.67692,-0.17506,134.32,-0.6059,-0.72476,0.32805,236.49,-0.34894,-0.12846,-0.9283,287.64

> view matrix models
> #10,0.56403,-0.79822,-0.21144,167.64,-0.68901,-0.59607,0.41227,223.65,-0.45512,-0.086851,-0.88618,290.83

> ui mousemode right "translate selected models"

> view matrix models
> #10,0.56403,-0.79822,-0.21144,167.91,-0.68901,-0.59607,0.41227,222.99,-0.45512,-0.086851,-0.88618,292.1

> view matrix models
> #10,0.56403,-0.79822,-0.21144,168.12,-0.68901,-0.59607,0.41227,222.47,-0.45512,-0.086851,-0.88618,292.89

> view matrix models
> #10,0.56403,-0.79822,-0.21144,167.68,-0.68901,-0.59607,0.41227,222.06,-0.45512,-0.086851,-0.88618,292.78

> ui mousemode right "rotate selected models"

> view matrix models
> #10,0.9451,-0.30826,-0.10842,64.336,-0.24932,-0.89473,0.37054,205.73,-0.21123,-0.32317,-0.92247,292.14

> ui mousemode right "translate selected models"

> view matrix models
> #10,0.9451,-0.30826,-0.10842,64.792,-0.24932,-0.89473,0.37054,207.28,-0.21123,-0.32317,-0.92247,291.09

> ui mousemode right zoom

> ui mousemode right "rotate selected models"

> view matrix models
> #10,0.95406,-0.28402,-0.095414,59.891,-0.23096,-0.90001,0.36966,205.79,-0.19086,-0.33064,-0.92426,289.69

> ui mousemode right "translate selected models"

> view matrix models
> #10,0.95406,-0.28402,-0.095414,54.61,-0.23096,-0.90001,0.36966,206.3,-0.19086,-0.33064,-0.92426,289.49

> ui mousemode right select

> select clear

> ui tool show "Fit in Map"

> fitmap #3 inMap #10

Fit molecule 8u8f (#3) to map emd_42023_8U8F.map (#10) using 4141 atoms  
average map value = 0.1356, steps = 60  
shifted from previous position = 2.97  
rotated from previous position = 3.78 degrees  
atoms outside contour = 3428, contour level = 0.36411  
  
Position of 8u8f (#3) relative to emd_42023_8U8F.map (#10) coordinates:  
Matrix rotation and translation  
0.98885725 -0.13046063 0.07170335 9.70268642  
0.11910430 0.98228692 0.14466024 -33.06462280  
-0.08930573 -0.13450815 0.98687996 22.31914980  
Axis -0.68489987 0.39501286 0.61227200  
Axis point 0.00000000 170.70498206 232.97410918  
Rotation angle (degrees) 11.75939778  
Shift along axis -6.04092928  
  

> select clear

> ui mousemode right "rotate selected models"

> ui mousemode right "translate selected models"

> select add #10

2 models selected  

> view matrix models
> #10,0.95406,-0.28402,-0.095414,60.021,-0.23096,-0.90001,0.36966,210.43,-0.19086,-0.33064,-0.92426,294.16

> view matrix models
> #10,0.95406,-0.28402,-0.095414,59.925,-0.23096,-0.90001,0.36966,210.25,-0.19086,-0.33064,-0.92426,294.21

> ui mousemode right "rotate selected models"

> view matrix models
> #10,0.95276,-0.26606,-0.1465,64.268,-0.21159,-0.92746,0.30831,217.85,-0.2179,-0.26274,-0.93994,292.51

> view matrix models
> #10,0.94455,-0.26808,-0.18966,70.424,-0.18725,-0.91414,0.35956,207.8,-0.26976,-0.30411,-0.91364,299.42

> view matrix models
> #10,0.96895,-0.23928,-0.062312,50.009,-0.21977,-0.94892,0.22637,230.41,-0.11329,-0.20564,-0.97205,278.71

> ui mousemode right "translate selected models"

> view matrix models
> #10,0.96895,-0.23928,-0.062312,48.309,-0.21977,-0.94892,0.22637,229.48,-0.11329,-0.20564,-0.97205,277.8

> ui mousemode right "rotate selected models"

> view matrix models
> #10,0.96809,-0.24111,-0.068264,49.278,-0.22119,-0.95024,0.21935,230.58,-0.11775,-0.19725,-0.97326,277.64

> ui mousemode right "translate selected models"

> view matrix models
> #10,0.96809,-0.24111,-0.068264,49.089,-0.22119,-0.95024,0.21935,230.35,-0.11775,-0.19725,-0.97326,277.49

> ui mousemode right "rotate selected models"

> view matrix models
> #10,0.9547,-0.29204,-0.057122,54.291,-0.27231,-0.93479,0.22806,233.68,-0.12,-0.20217,-0.97197,278.08

> view matrix models
> #10,0.95173,-0.29746,-0.075656,57.315,-0.27693,-0.9385,0.20621,237.11,-0.13234,-0.17531,-0.97558,277.29

> view matrix models
> #10,0.88769,-0.45987,0.022982,68.997,-0.4567,-0.873,0.17115,255.37,-0.058645,-0.16243,-0.98498,268.7

> ui mousemode right "translate selected models"

> view matrix models
> #10,0.88769,-0.45987,0.022982,69.027,-0.4567,-0.873,0.17115,255.43,-0.058645,-0.16243,-0.98498,268.91

> view matrix models
> #10,0.88769,-0.45987,0.022982,69.188,-0.4567,-0.873,0.17115,255.62,-0.058645,-0.16243,-0.98498,268.99

> ui mousemode right select

> select clear

> ui mousemode right "translate selected models"

> select add #10

2 models selected  

> view matrix models
> #10,0.88769,-0.45987,0.022982,71.124,-0.4567,-0.873,0.17115,254.25,-0.058645,-0.16243,-0.98498,269.49

> ui mousemode right "rotate selected models"

> view matrix models
> #10,0.91356,-0.40236,-0.059297,72.131,-0.38423,-0.90165,0.1985,245.57,-0.13333,-0.15856,-0.97831,276.88

> ui mousemode right select

> fitmap #3 inMap #10

Fit molecule 8u8f (#3) to map emd_42023_8U8F.map (#10) using 4141 atoms  
average map value = 0.4117, steps = 48  
shifted from previous position = 1.71  
rotated from previous position = 1.6 degrees  
atoms outside contour = 2121, contour level = 0.36411  
  
Position of 8u8f (#3) relative to emd_42023_8U8F.map (#10) coordinates:  
Matrix rotation and translation  
0.99999902 0.00120173 0.00071855 -0.19601774  
-0.00120458 0.99999135 0.00398280 -0.25695137  
-0.00071375 -0.00398366 0.99999181 0.53913177  
Axis -0.94341223 0.16961756 -0.28496185  
Axis point 0.00000000 134.32444864 64.28382463  
Rotation angle (degrees) 0.24191227  
Shift along axis -0.01228992  
  

> select clear

> transparency #10.1 50

> select add #3

4141 atoms, 4187 bonds, 1 pseudobond, 266 residues, 2 models selected  

> hide sel ribbons

> select subtract #3

Nothing selected  

> select add #10

2 models selected  

> volume sel style mesh

> volume sel style surface

> select clear

> ui mousemode right "map eraser"

> volume erase #10 center 117.7,116.64,162.97 radius 15.055 outside true

Opened emd_42023_8U8F.map copy as #13, grid size 256,256,256, pixel 0.86,
shown at step 1, values float32  

> volume erase #13 center 116.79,102.75,163.3 radius 7.9258

> volume erase #13 center 111.05,106.54,171.81 radius 7.9258

> volume erase #13 center 120.71,106.79,157.7 radius 7.9258

> volume erase #13 center 124.7,110.37,171.04 radius 7.9258

> volume erase #13 center 121.04,110.48,171.92 radius 7.9258

> volume erase #13 center 105.04,115.99,155.78 radius 7.9258

> volume erase #13 center 118.01,100.14,158.41 radius 7.9258

> volume erase #13 center 128.52,108.66,159.84 radius 7.9258

> volume erase #13 center 129.08,114.99,168.53 radius 7.9258

> volume erase #13 center 124.09,121.82,178.56 radius 7.9258

> volume erase #13 center 129.62,124.33,168.57 radius 7.9258

> volume erase #13 center 120.15,112.65,154.11 radius 7.9258

> volume erase #13 center 122.18,114.46,153.45 radius 7.9258

> volume erase #13 center 115.83,112.64,152.98 radius 7.9258

> volume erase #13 center 109.37,106.78,150.6 radius 7.9258

> volume erase #13 center 102.31,103.74,159.66 radius 7.9258

> volume erase #13 center 122.28,123.84,151.67 radius 7.9258

> volume erase #13 center 128.24,123.7,148.61 radius 7.9258

> volume erase #13 center 114.43,125.51,156.94 radius 7.9258

> volume erase #13 center 122.2,126.46,151.3 radius 7.9258

> volume erase #13 center 123.71,127.92,169 radius 7.9258

> volume erase #13 center 117.79,125.27,170.02 radius 7.9258

> volume erase #13 center 126.34,129.99,164.82 radius 7.9258

> volume erase #13 center 128.46,130.55,157.76 radius 7.9258

> volume erase #13 center 126.76,132.97,162.51 radius 7.9258

[Repeated 1 time(s)]

> volume erase #13 center 117.16,121.02,177.7 radius 3.0822

> volume erase #13 center 117.4,115.9,177.67 radius 3.0822

> volume erase #13 center 114.58,116,177.53 radius 3.0822

> volume erase #13 center 114.79,116.29,176.51 radius 3.0822

[Repeated 1 time(s)]

> volume erase #13 center 114.57,114.41,176.24 radius 3.0822

> volume erase #13 center 113.27,118.05,179.54 radius 3.0822

> volume erase #13 center 112.99,120.41,178.61 radius 3.0822

> volume erase #13 center 118.41,130.57,163.6 radius 3.0822

> volume erase #13 center 111.38,119.59,150.76 radius 3.0822

> volume erase #13 center 115.31,118.78,149.01 radius 3.0822

> volume erase #13 center 117.82,118,158.2 radius 3.0822

> volume erase #13 center 112.67,119.09,162.03 radius 3.0822

> volume erase #13 center 114.55,120.02,164.12 radius 3.0822

> volume erase #13 center 112.65,122.72,163.77 radius 3.0822

> volume erase #13 center 109.49,124.56,161.57 radius 3.0822

> volume erase #13 center 110.17,118.4,174.3 radius 3.0822

> volume erase #13 center 111.11,122.43,172.75 radius 3.0822

> volume erase #13 center 102.49,119.55,167.53 radius 3.0822

> volume erase #13 center 100.76,116.59,164.82 radius 3.0822

> volume erase #13 center 106.59,120.53,171.66 radius 3.0822

> volume erase #13 center 105.28,116.39,171.69 radius 3.0822

> volume erase #13 center 108.38,114.95,174.21 radius 3.0822

> volume erase #13 center 106.76,115.57,174.43 radius 3.0822

> hide #!13 models

> ui mousemode right select

Drag select of 2 atoms, 2 bonds  

> hide sel atoms

Drag select of 1 atoms, 1 bonds  

> hide sel atoms

Drag select of 4 atoms, 3 bonds  

> hide sel atoms

> show #!13 models

Drag select of eraser sphere, 183 of 1000 triangles, 1 atoms, 13
emd_42023_8U8F.map copy  

> select clear

> ui mousemode right "map eraser"

> volume erase #13 center 108.09,107.52,158.16 radius 3.0822

> volume erase #13 center 114.1,110.88,162.3 radius 1.431

> volume erase #13 center 108.99,109.31,166.7 radius 1.431

> volume erase #13 center 108.51,110.29,165.94 radius 1.431

> volume erase #13 center 107.82,110.35,165.37 radius 1.431

> volume erase #13 center 106.99,111.99,163.41 radius 1.431

> volume erase #13 center 109.81,113.95,164.24 radius 1.431

> volume erase #13 center 110.96,114.2,163.7 radius 1.431

> volume erase #13 center 102.18,117.15,164.89 radius 1.431

> volume erase #13 center 102.46,117.32,163.27 radius 1.431

> volume erase #13 center 104.77,125.58,165.01 radius 1.431

> volume erase #13 center 107.41,124.89,166.86 radius 3.4125

> volume erase #13 center 111.87,121.8,167.47 radius 3.4125

> volume erase #13 center 111.26,119.34,168.42 radius 1.8714

> volume erase #13 center 111.44,120.62,169.64 radius 1.8714

> volume erase #13 center 110.39,121.3,169.78 radius 1.8714

> volume erase #13 center 110.13,119.84,168.41 radius 1.8714

> volume erase #13 center 109.42,118.75,168.38 radius 1.8714

> volume erase #13 center 109.74,122.19,167.63 radius 1.8714

> volume erase #13 center 111.05,123.71,171.01 radius 1.8714

> volume erase #13 center 110.89,123.53,171.84 radius 1.8714

> volume erase #13 center 109.31,123.03,172.58 radius 1.8714

> volume erase #13 center 113.06,110.96,162.71 radius 1.8714

> volume erase #13 center 107.82,121.79,164.28 radius 1.8714

> volume erase #13 center 106.28,121.88,168.51 radius 1.8714

> volume erase #13 center 108.09,121.35,170.06 radius 1.8714

> volume erase #13 center 110.47,119.08,167.21 radius 1.8714

> select add #13

2 models selected  

> volume sel style mesh

> ui mousemode right select

> select clear

> save "/Users/dongju/Desktop/Research projects-Monash/NSMB/Updated figures-
> chimera files and png files/Figure 4/Figure4F_GPR3_8U8F.cxs"

——— End of log from Mon Sep 23 15:58:13 2024 ———

opened ChimeraX session  

> select add #3

4141 atoms, 4187 bonds, 1 pseudobond, 266 residues, 2 models selected  

> show sel ribbons

> show #!1 models

> hide #!3 models

> hide #!7 models

> show #!9 models

> select add #1

6062 atoms, 6143 bonds, 4 pseudobonds, 529 residues, 6 models selected  

> select subtract #3

1921 atoms, 1956 bonds, 3 pseudobonds, 263 residues, 4 models selected  

> show sel ribbons

> hide #!13 models

> show #!4 models

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> volume #4 change image level -0.05594,0 level 0.1762,0.8 level 4.403,1

> volume #4 level 0.5696

> show #!4 models

> hide #!9 models

> hide #7.1 models

> ui tool show "Fit in Map"

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> fitmap #1 inMap #4

Fit molecule 8x2k (#1) to map emd_38015_8X2K.map (#4) using 1921 atoms  
average map value = 0.907, steps = 28  
shifted from previous position = 0.0179  
rotated from previous position = 0.0166 degrees  
atoms outside contour = 838, contour level = 0.56958  
  
Position of 8x2k (#1) relative to emd_38015_8X2K.map (#4) coordinates:  
Matrix rotation and translation  
0.99999919 -0.00029728 0.00123779 -0.14813315  
0.00029782 0.99999986 -0.00043551 0.03667520  
-0.00123766 0.00043588 0.99999914 0.11830230  
Axis 0.32381927 0.91991067 0.22114575  
Axis point 93.36805511 0.00000000 122.85809050  
Rotation angle (degrees) 0.07709056  
Shift along axis 0.01193159  
  

> hide #!1 models

> show #!1 models

> show #!6 models

> hide #!6 models

> show #!9 models

> volume #4 level 0.4363

> select subtract #1

Nothing selected  

> volume #4 level 0.2497

> volume #4 level 0.3564

> hide #!4 models

> ui mousemode right select

> select #1/A:96@NE2

1 atom, 1 residue, 1 model selected  

> ui tool show H-Bonds

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> hbonds sel color #000000 restrict cross select true reveal true

1 hydrogen bonds found  

> hbonds sel color #000000 restrict cross select true reveal true

2 hydrogen bonds found  

> hbonds sel color #000000 restrict cross select true reveal true

2 hydrogen bonds found  

> hbonds sel color #000000 restrict cross select true reveal true

2 hydrogen bonds found  

> select clear

> ui tool show H-Bonds

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> hbonds sel color #000000 restrict cross distSlop 1.0 angleSlop 25.0 select
> true reveal true

Atom specifier selects no atoms  

> select #1/A:280@OH

1 atom, 1 residue, 1 model selected  

> select add #1/A:96@NE2

2 atoms, 1 bond, 2 residues, 1 model selected  

> ui tool show H-Bonds

> hbonds sel color #000000 restrict cross distSlop 1.0 angleSlop 25.0 select
> true reveal true

5 hydrogen bonds found  

> hbonds sel color #000000 restrict cross distSlop 1.0 angleSlop 30.0 select
> true reveal true

8 hydrogen bonds found  

> hbonds sel color #000000 restrict cross distSlop 1.0 angleSlop 25.0 select
> true reveal true

6 hydrogen bonds found  

> hbonds sel color #000000 restrict cross distSlop 1.0 angleSlop 25.0 select
> true reveal true

7 hydrogen bonds found  

> select clear


===== Log before crash end =====

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 ATI-5.5.17
OpenGL renderer: AMD Radeon Pro 5500M OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.6.1, Qt 6.6.1
Qt runtime version: 6.6.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro16,1
      Processor Name: 8-Core Intel Core i9
      Processor Speed: 2.3 GHz
      Number of Processors: 1
      Total Number of Cores: 8
      L2 Cache (per Core): 256 KB
      L3 Cache: 16 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 2022.100.22.0.0 (iBridge: 21.16.5077.0.0,0)
      OS Loader Version: 580~2215

Software:

    System Software Overview:

      System Version: macOS 14.5 (23F79)
      Kernel Version: Darwin 23.5.0
      Time since boot: 3 days, 13 hours, 9 minutes

Graphics/Displays:

    Intel UHD Graphics 630:

      Chipset Model: Intel UHD Graphics 630
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x3e9b
      Revision ID: 0x0002
      Automatic Graphics Switching: Supported
      gMux Version: 5.0.0
      Metal Support: Metal 3

    AMD Radeon Pro 5500M:

      Chipset Model: AMD Radeon Pro 5500M
      Type: GPU
      Bus: PCIe
      PCIe Lane Width: x16
      VRAM (Total): 4 GB
      Vendor: AMD (0x1002)
      Device ID: 0x7340
      Revision ID: 0x0040
      ROM Revision: 113-D3220E-190
      VBIOS Version: 113-D32206U1-019
      Option ROM Version: 113-D32206U1-019
      EFI Driver Version: 01.A1.190
      Automatic Graphics Switching: Supported
      gMux Version: 5.0.0
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 3072 x 1920 Retina
          Framebuffer Depth: 24-Bit Color (ARGB8888)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 2.4.1
    Babel: 2.15.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.17
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.7
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.57.1
    ChimeraX-AtomicLibrary: 14.0.6
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.4.6
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.12.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.7
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.8
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.3
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.4
    ChimeraX-DiffPlot: 1.0
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.2
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.10
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.2
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.3
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.1
    ChimeraX-MedicalToolbar: 1.0.3
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.17
    ChimeraX-ModelPanel: 1.5
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.5
    ChimeraX-PDB: 2.7.5
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.1
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.4.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.0.15
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.11.2
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.16.5
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.39.1
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.3
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.2.1
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.1
    decorator: 5.1.1
    docutils: 0.20.1
    executing: 2.0.1
    filelock: 3.13.4
    fonttools: 4.53.0
    funcparserlib: 2.0.0a0
    glfw: 2.7.0
    grako: 3.16.5
    h5py: 3.11.0
    html2text: 2024.2.26
    idna: 3.7
    ihm: 1.0
    imagecodecs: 2024.1.1
    imagesize: 1.4.1
    ipykernel: 6.29.2
    ipython: 8.21.0
    ipywidgets: 8.1.3
    jedi: 0.19.1
    jinja2: 3.1.4
    jupyter-client: 8.6.0
    jupyter-core: 5.7.2
    jupyterlab-widgets: 3.0.11
    kiwisolver: 1.4.5
    line-profiler: 4.1.2
    lxml: 5.2.1
    lz4: 4.3.3
    MarkupSafe: 2.1.5
    matplotlib: 3.8.4
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.0
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.3.0
    pip: 24.0
    pkginfo: 1.10.0
    platformdirs: 4.2.2
    prompt-toolkit: 3.0.47
    psutil: 5.9.8
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pygments: 2.17.2
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.1.2
    pyproject-hooks: 1.1.0
    PyQt6-commercial: 6.6.1
    PyQt6-Qt6: 6.6.3
    PyQt6-sip: 13.6.0
    PyQt6-WebEngine-commercial: 6.6.0
    PyQt6-WebEngine-Qt6: 6.6.3
    python-dateutil: 2.9.0.post0
    pytz: 2024.1
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    qtconsole: 5.5.1
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.13.0
    setuptools: 69.5.1
    setuptools-scm: 8.0.4
    sfftk-rw: 0.8.1
    six: 1.16.0
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    sortedcontainers: 2.4.0
    soupsieve: 2.5
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    sphinxcontrib-htmlhelp: 2.0.5
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    sphinxcontrib-qthelp: 1.0.7
    sphinxcontrib-serializinghtml: 1.1.10
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2024.1.30
    tinyarray: 1.2.4
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    traitlets: 5.14.2
    typing-extensions: 4.12.2
    tzdata: 2024.1
    urllib3: 2.2.1
    wcwidth: 0.2.13
    webcolors: 1.13
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.11

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