﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
20278	Crash in QDockWidget::event() in Qt 6.9.2	chimerax-bug-report@…	Tom Goddard	"{{{
The following bug report has been submitted:
Platform:        macOS-15.0-x86_64-i386-64bit
ChimeraX Version: 1.11.1 (2026-01-23 05:51:34 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Thread 0x000070002781e000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 579 in _handle_results
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000070002681b000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 531 in _handle_tasks
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x0000700025818000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/selectors.py"", line 415 in select
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/connection.py"", line 948 in wait
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 502 in _wait_for_updates
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 522 in _handle_workers
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x0000700024815000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x0000700023812000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000070002280f000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000070002180c000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x0000700020809000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000070001f806000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000070001e803000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000070001d800000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000070001c7fd000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000070001b7fa000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000070001a7f7000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x00007000197f4000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Current thread 0x00007ff85aa52680 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 414 in event_loop
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1064 in init
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1229 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, psutil._psutil_osx, psutil._psutil_posix, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, PIL._imaging, chimerax.pdb_lib._load_libs, chimerax.map._map, chimerax.surface._surface, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, PIL._imagingmath (total: 48)


{""app_name"":""ChimeraX"",""timestamp"":""2026-05-06 17:06:27.00 -0400"",""app_version"":""1.11.1"",""slice_uuid"":""5cbc32a0-c22e-3696-af85-4071e4699df0"",""build_version"":""1.11.1.0"",""platform"":1,""bundleID"":""edu.ucsf.cgl.ChimeraX"",""share_with_app_devs"":1,""is_first_party"":0,""bug_type"":""309"",""os_version"":""macOS 15.0 (24A335)"",""roots_installed"":0,""name"":""ChimeraX"",""incident_id"":""EE61AE45-B8E9-40A4-B847-532E0332FCD7""}
{
  ""uptime"" : 510000,
  ""procRole"" : ""Foreground"",
  ""version"" : 2,
  ""userID"" : 501,
  ""deployVersion"" : 210,
  ""modelCode"" : ""iMac20,1"",
  ""coalitionID"" : 28158,
  ""osVersion"" : {
    ""train"" : ""macOS 15.0"",
    ""build"" : ""24A335"",
    ""releaseType"" : ""User""
  },
  ""captureTime"" : ""2026-05-06 17:06:23.6931 -0400"",
  ""codeSigningMonitor"" : 0,
  ""incident"" : ""EE61AE45-B8E9-40A4-B847-532E0332FCD7"",
  ""pid"" : 46400,
  ""cpuType"" : ""X86-64"",
  ""roots_installed"" : 0,
  ""bug_type"" : ""309"",
  ""procLaunch"" : ""2026-05-04 15:15:45.5887 -0400"",
  ""procStartAbsTime"" : 338655643194828,
  ""procExitAbsTime"" : 518087454037856,
  ""procName"" : ""ChimeraX"",
  ""procPath"" : ""\/Applications\/ChimeraX-1.11.1.app\/Contents\/MacOS\/ChimeraX"",
  ""bundleInfo"" : {""CFBundleShortVersionString"":""1.11.1"",""CFBundleVersion"":""1.11.1.0"",""CFBundleIdentifier"":""edu.ucsf.cgl.ChimeraX""},
  ""storeInfo"" : {""deviceIdentifierForVendor"":""8A6AA598-6AAA-5F3D-859B-9DD4909E9083"",""thirdParty"":true},
  ""parentProc"" : ""launchd"",
  ""parentPid"" : 1,
  ""coalitionName"" : ""edu.ucsf.cgl.ChimeraX"",
  ""crashReporterKey"" : ""B6C49923-DB55-FA95-3A93-BDC7AF179334"",
  ""codeSigningID"" : ""edu.ucsf.cgl.ChimeraX"",
  ""codeSigningTeamID"" : ""LWV8X224YF"",
  ""codeSigningFlags"" : 570491649,
  ""codeSigningValidationCategory"" : 6,
  ""codeSigningTrustLevel"" : 4294967295,
  ""bootSessionUUID"" : ""449E809F-BB49-4876-A6A4-06B37DA50B83"",
  ""bridgeVersion"" : {""build"":""22P353"",""train"":""9.0""},
  ""sip"" : ""enabled"",
  ""vmRegionInfo"" : ""0x8 is not in any region.  Bytes before following region: 4382351352
      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      UNUSED SPACE AT START
--->  
      __TEXT                      105356000-105358000    [    8K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.11.1.app\/Contents\/MacOS\/ChimeraX"",
  ""exception"" : {""codes"":""0x0000000000000001, 0x0000000000000008"",""rawCodes"":[1,8],""type"":""EXC_BAD_ACCESS"",""signal"":""SIGSEGV"",""subtype"":""KERN_INVALID_ADDRESS at 0x0000000000000008""},
  ""termination"" : {""flags"":0,""code"":11,""namespace"":""SIGNAL"",""indicator"":""Segmentation fault: 11"",""byProc"":""ChimeraX"",""byPid"":46400},
  ""ktriageinfo"" : ""VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter
VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter
VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter
VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter
VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter
"",
  ""vmregioninfo"" : ""0x8 is not in any region.  Bytes before following region: 4382351352
      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      UNUSED SPACE AT START
--->  
      __TEXT                      105356000-105358000    [    8K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.11.1.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"" : [{""queue"":""com.apple.main-thread"",""instructionState"":{""instructionStream"":{""bytes"":[0,72,133,192,117,218,232,197,143,63,0,235,37,77,133,228,116,32,76,137,231,232,6,129,1,0,76,139,0,72,137,199,68,137,254,49,210,76,137,225,65,255,144,224,0,0,0,65,137,198,68,137,51,72,131,196,8,91,65,92,65,93,65,94,65,95,93,195,102,102,102,46,15,31,132,0,0,0,0,0,85,72,137,229,83,80,72,137,248,72,141,29,24,58,75,0,72,139,64,8,72,139,112,16,246,128,140,0,0,0,1,117,25,72,133,246,116,18,72,137,223,232,156,31,64,0,72,133,192,117,221,232,168,143,63,0,49,246,72,137,240,72,131,196,8,91,93,195,102,102,102,46,15,31,132,0,0,0,0,0,85,72,137,229,65,86,83,72,137,243,72,139,5,223,251,78,0,72,133,192,116,13,72,137,222,255,208,73,137,198,72,133],""offset"":96}},""frames"":[


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{""imageOffset"":2442250,""imageIndex"":45},
{""imageOffset"":2441892,""symbol"":    ""QWaitCondition::wait(QMutex*, QDeadlineTimer)""					,""symbolLocation"":84,""imageIndex"":45},
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{""imageOffset"":2384111,""imageIndex"":45},
{""imageOffset"":25171,""symbol"":    ""_pthread_start""					,""symbolLocation"":99,""imageIndex"":129},
{""imageOffset"":7151,""symbol"":    ""thread_start""					,""symbolLocation"":15,""imageIndex"":129}]},{""id"":4837442,""name"":""Thread (pooled)"",

""threadState"":{""r13"":{""value"":217707597317888},""rax"":{""value"":260},""rflags"":{""value"":583},""cpu"":{""value"":0},""r14"":{""value"":123145697038336},""rsi"":{""value"":217707597317888},""r8"":{""value"":0},""cr2"":{""value"":0},""rdx"":{""value"":50432},""r10"":{""value"":0},""r9"":{""value"":160},""r15"":{""value"":50432},""rbx"":{""value"":22},""trap"":{""value"":133},""err"":{""value"":33554737},""r11"":{""value"":582},""rip"":{""value"":140703528303018},""rbp"":{""value"":123145697037856},""rsp"":{""value"":123145697037704},""r12"":{""value"":999998000},""rcx"":{""value"":123145697037704},""flavor"":""x86_THREAD_STATE"",""rdi"":{""value"":105553156921280}},""frames"":[


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{""imageOffset"":26536,""symbol"":    ""_pthread_cond_wait""					,""symbolLocation"":1193,""imageIndex"":129},
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{""imageOffset"":2441892,""symbol"":    ""QWaitCondition::wait(QMutex*, QDeadlineTimer)""					,""symbolLocation"":84,""imageIndex"":45},
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{""imageOffset"":25171,""symbol"":    ""_pthread_start""					,""symbolLocation"":99,""imageIndex"":129},
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===== Log before crash start =====
UCSF ChimeraX version: 1.11.1 (2026-01-23)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open ""/Users/michael/Documents/Protein Structures PDB/9GJT NiV L Apo.pdb""
> ""/Users/michael/Documents/Protein Structures PDB/9GJU NiV L RNA Bound.pdb""

9GJT NiV L Apo.pdb title:  
Structure of nipah virus RNA polymerase complex - apo state [more info...]  
  
Chain information for 9GJT NiV L Apo.pdb #1  
---  
Chain | Description | UniProt  
A | RNA-directed RNA polymerase L | L_NIPAV 2-2244  
B C D E | protein P | PHOSP_NIPAV 1-709  
  
Non-standard residues in 9GJT NiV L Apo.pdb #1  
---  
ZN — zinc ion  
  
9GJU NiV L RNA Bound.pdb title:  
Structure of replicating nipah virus RNA polymerase complex - RNA- bound state
[more info...]  
  
Chain information for 9GJU NiV L RNA Bound.pdb #2  
---  
Chain | Description | UniProt  
A | RNA-directed RNA polymerase L | L_NIPAV 2-2244  
B C D E | protein P | PHOSP_NIPAV 1-709  
F | RNA (5'-R(P*ap*CP*CP*ap*ap*ap*CP*ap*A)-3') |   
G | RNA (5'-R(P*CP*CP*CP*up*up*GP*up*up*up*GP*GP*U)-3') |   
  
Non-standard residues in 9GJU NiV L RNA Bound.pdb #2  
---  
GNP — phosphoaminophosphonic acid-guanylate ester  
MG — magnesium ion  
ZN — zinc ion  
  

> ui mousemode right select

Drag select of 29843 atoms, 37 pseudobonds, 249 bonds  
Drag select of 34952 atoms, 40 pseudobonds, 249 bonds  

> style sel stick

Changed 34952 atom styles  

> show sel cartoons

> hide sel atoms

> show sel atoms

> select clear

> select #2/A:2167

12 atoms, 12 bonds, 1 residue, 1 model selected  
Drag select of 11592 atoms, 2374 residues, 24 pseudobonds, 9773 bonds  

> hide sel atoms

Drag select of 2392 atoms, 659 residues, 2002 bonds, 1 pseudobonds  

> hide sel atoms

Drag select of 1624 atoms, 474 residues, 1361 bonds, 1 pseudobonds  
Drag select of 1193 atoms, 427 residues, 3 pseudobonds, 1014 bonds  

> hide sel atoms

Drag select of 882 atoms, 349 residues, 737 bonds  

> ui mousemode right translate

> ui mousemode right select

> hide sel atoms

Drag select of 674 atoms, 1315 residues, 12 pseudobonds, 542 bonds  

> hide sel atoms

Drag select of 289 atoms, 80 residues, 249 bonds  
Drag select of 968 atoms, 419 residues, 4 pseudobonds, 830 bonds  

> hide sel atoms

Drag select of 337 atoms, 159 residues, 286 bonds, 1 pseudobonds  

> hide sel atoms

Drag select of 621 atoms, 580 residues, 524 bonds  
Drag select of 481 atoms, 512 residues, 405 bonds  
Drag select of 349 atoms, 420 residues, 300 bonds  

> hide sel atoms

Drag select of 10 residues, 3 atoms  
Drag select of 444 atoms, 441 residues, 365 bonds, 1 pseudobonds  

> hide sel atoms

> select #2/G:9

23 atoms, 25 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #2/G:10

20 atoms, 21 bonds, 1 residue, 1 model selected  

> show sel atoms

Drag select of 14 residues, 8 bonds, 8 atoms  

> hide #!2 models

Drag select of 544 atoms, 1707 residues, 8 pseudobonds, 445 bonds  

> hide sel atoms

> select clear

> show #!2 models

> hide #!1 models

> ui mousemode right translate

> show #!1 models

> ui mousemode right select

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/A #2/A

Alignment identifier is 1  

> sequence chain #1/B #1/C #1/D #1/E #2/B #2/C #2/D #2/E

Alignment identifier is 2  

> sequence chain #2/F

Alignment identifier is 2/F  

> sequence chain #2/G

Alignment identifier is 2/G  

> select clear

> select #1/B-E #2/B-E

8209 atoms, 8327 bonds, 4 pseudobonds, 1028 residues, 4 models selected  
Protein P [ID: 2] region 8 chains [1-709] RMSD: 6.897  
  

> hide sel atoms

> color (#!1-2 & sel) gray

> color (#!1-2 & sel) light gray

> color (#!1-2 & sel) dim gray

> color (#!1-2 & sel) light gray

> select clear

> select #1/A:5-934 #2/A:6-934

13156 atoms, 13446 bonds, 3 pseudobonds, 1620 residues, 4 models selected  
RNA-directed RNA Polymerase L [ID: 1] region 2 chains [1-936] RMSD: 7.443  
  

> select clear

> select #1/A:5-983 #2/A:6-983

13906 atoms, 14202 bonds, 3 pseudobonds, 1718 residues, 4 models selected  
RNA-directed RNA Polymerase L [ID: 1] region 2 chains [1-985] RMSD: 7.371  
  

> color (#!1-2 & sel) cornflower blue

> select #1/A:984 #2/A:984

16 atoms, 14 bonds, 2 residues, 2 models selected  

> select #1/A:984-1451 #2/A:984-1452

6505 atoms, 6628 bonds, 7 pseudobonds, 814 residues, 4 models selected  
RNA-directed RNA Polymerase L [ID: 1] region 2 chains [986-1454] RMSD: 8.314  
  

> color (#!1-2 & sel) forest green

> color (#!1-2 & sel) lime

> color (#!1-2 & sel) forest green

> select #2/A:1453

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:1453-1463

91 atoms, 94 bonds, 11 residues, 1 model selected  

> color sel gray

> select clear

> select #2/A:1477-1743

2198 atoms, 2249 bonds, 267 residues, 1 model selected  

> color sel yellow

> select clear

> select #2/A:1769-2098

2468 atoms, 2518 bonds, 2 pseudobonds, 312 residues, 2 models selected  

> color (#!2 & sel) orange

> select #2/A:2099-2100

16 atoms, 16 bonds, 2 residues, 1 model selected  

> select #2/A:2099-2244

1097 atoms, 1113 bonds, 1 pseudobond, 131 residues, 2 models selected  

> color (#!2 & sel) red

> select clear

> select #2/A:2098

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #2/A:2097

8 atoms, 7 bonds, 1 residue, 1 model selected  
Drag select of 18 residues  

> select #2/A:2098

4 atoms, 3 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:2097

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel red

> select clear

> hide #!2 models

> save ""/Users/michael/Documents/Protein Structures PDB/[Name].pdb""

> save ""/Users/michael/Documents/Protein Structures PDB/[Name] with colored
> domains.pdb""

> save ""/Users/michael/Documents/Protein Structures PDB/[NAME].pdb""

> show #!2 models

Drag select of 126 residues, 1 pseudobonds  

> select clear

> ui mousemode right translate

> hide #!2 models

> hide #!1 models

> open ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses
> MeV L Apo 909_942_1106_1110.pdb"" ""/Users/michael/Desktop/MOE Files/88309 and
> 88310 Docking/88310 25poses MeV L Apo 909_942_1106_1110.pdb""

Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Chain information for 88309 25poses MeV L Apo 909_942_1106_1110.pdb #3  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88310 25poses MeV L Apo 909_942_1106_1110.pdb #4  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  

> style #!3-4 stick

Changed 52946 atom styles  

> show #!3-4 cartoons

Computing secondary structure  

> hide #!3-4 atoms

> show #!3-4 atoms

> ui tool show ""Show Sequence Viewer""

> sequence chain #3/A #4/A

Alignment identifier is 3  

> sequence chain #3/B #4/B

Alignment identifier is 4  

> sequence chain #3/C #4/C

Alignment identifier is 5  

> sequence chain #3/D #4/D

Alignment identifier is 6  

> sequence chain #3/E #4/E

Alignment identifier is 7  

> select #3/B:325-326 #4/B:325-326

76 atoms, 76 bonds, 4 residues, 2 models selected  

> select #3/B #4/B

2394 atoms, 2402 bonds, 2 pseudobonds, 148 residues, 4 models selected  
4 [ID: 4] region 2 chains [1-74] RMSD: 0.000  
  

> select clear

> select #3/C:429-507 #4/C:429-507

2610 atoms, 2624 bonds, 158 residues, 2 models selected  
5 [ID: 5] region 2 chains [1-132] RMSD: 0.000  
  

> hide sel atoms

> select #3/E:324 #4/E:324

48 atoms, 46 bonds, 2 residues, 2 models selected  

> select #3/E #4/E

2358 atoms, 2370 bonds, 148 residues, 2 models selected  
7 [ID: 7] region 2 chains [1-74] RMSD: 0.000  
  

> hide sel atoms

> select #3/B:325-326 #4/B:325-326

76 atoms, 76 bonds, 4 residues, 2 models selected  

> select #3/B #4/B

2394 atoms, 2402 bonds, 2 pseudobonds, 148 residues, 4 models selected  
4 [ID: 4] region 2 chains [1-74] RMSD: 0.000  
  

> hide sel atoms

> select #3/D:324-325 #4/D:324-325

86 atoms, 84 bonds, 4 residues, 2 models selected  

> select #3/D #4/D

1850 atoms, 1854 bonds, 114 residues, 2 models selected  
6 [ID: 6] region 2 chains [1-57] RMSD: 0.000  
  

> hide sel atoms

> select clear

> select #3/C:429-507 #4/C:429-507

2610 atoms, 2624 bonds, 158 residues, 2 models selected  
5 [ID: 5] region 2 chains [1-132] RMSD: 0.000  
  

> select #3/C:507 #4/C:507

46 atoms, 44 bonds, 2 residues, 2 models selected  

> select #3/C:507 #4/C:507

46 atoms, 44 bonds, 2 residues, 2 models selected  
5 [ID: 5] region 2 chains [132] RMSD: 0.000  
  

> select #3/C:455-507 #4/C:455-507

1770 atoms, 1776 bonds, 106 residues, 2 models selected  

> select #3/C:455-507 #4/C:455-507

1770 atoms, 1776 bonds, 106 residues, 2 models selected  
5 [ID: 5] region 2 chains [80-132] RMSD: 0.000  
  

> select #3/C:507 #4/C:507

46 atoms, 44 bonds, 2 residues, 2 models selected  

> select #3/C:507 #4/C:507

46 atoms, 44 bonds, 2 residues, 2 models selected  
5 [ID: 5] region 2 chains [132] RMSD: 0.000  
  

> select #3/A:7 #4/A:7

32 atoms, 30 bonds, 2 residues, 2 models selected  

> select #3/A #4/A

40348 atoms, 40796 bonds, 12 pseudobonds, 2506 residues, 4 models selected  
3 [ID: 3] region 2 chains [1-1253] RMSD: 0.000  
  

> hide sel atoms

> select clear

> select #3/C:429-507 #4/C:429-507

2610 atoms, 2624 bonds, 158 residues, 2 models selected  
5 [ID: 5] region 2 chains [1-132] RMSD: 0.000  
  

> hide sel atoms

> ui mousemode right select

> select #3/C:357

14 atoms, 13 bonds, 1 residue, 1 model selected  
Drag select of 1196 atoms, 1238 residues, 1100 bonds  

> hide sel atoms

> select clear

> ui mousemode right translate

> open ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses
> pose 1 MeV L Apo 909_942_1106_1110.pdb"" ""/Users/michael/Desktop/MOE
> Files/88309 and 88310 Docking/88309 25poses pose 5 MeV L Apo
> 909_942_1106_1110.pdb"" ""/Users/michael/Desktop/MOE Files/88309 and 88310
> Docking/88309 25poses pose 10 MeV L Apo 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses pose
> 15 MeV L Apo 909_942_1106_1110.pdb"" ""/Users/michael/Desktop/MOE Files/88309
> and 88310 Docking/88309 25poses pose 20 MeV L Apo 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses pose
> 25 MeV L Apo 909_942_1106_1110.pdb"" ""/Users/michael/Desktop/MOE Files/88309
> and 88310 Docking/88310 25poses pose 1 MeV L Apo 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88310 25poses pose
> 5 MeV L Apo 909_942_1106_1110.pdb"" ""/Users/michael/Desktop/MOE Files/88309
> and 88310 Docking/88310 25poses pose 10 MeV L Apo 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88310 25poses pose
> 15 MeV L Apo 909_942_1106_1110.pdb"" ""/Users/michael/Desktop/MOE Files/88309
> and 88310 Docking/88310 25poses pose 20 MeV L Apo 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88310 25poses pose
> 25 MeV L Apo 909_942_1106_1110.pdb""

Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 1 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 5 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 10 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 15 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 20 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 25 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 1 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 5 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 10 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 15 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 20 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 25 MeV L Apo 909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 130  
HELIX 1 1 THR A 22 TYR A 31 1 Generated by MOE 10  
  
Ignored bad PDB record found on line 131  
HELIX 2 2 THR A 44 ASN A 55 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 132  
HELIX 3 3 GLN A 60 LEU A 76 1 Generated by MOE 17  
  
Ignored bad PDB record found on line 133  
HELIX 4 4 ASN A 91 LEU A 94 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 134  
HELIX 5 5 ARG A 104 ARG A 134 1 Generated by MOE 31  
  
96 messages similar to the above omitted  
  
Chain information for 88309 25poses pose 1 MeV L Apo 909_942_1106_1110.pdb #5  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88309 25poses pose 5 MeV L Apo 909_942_1106_1110.pdb #6  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88309 25poses pose 10 MeV L Apo 909_942_1106_1110.pdb #7  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88309 25poses pose 15 MeV L Apo 909_942_1106_1110.pdb #8  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88309 25poses pose 20 MeV L Apo 909_942_1106_1110.pdb #9  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88309 25poses pose 25 MeV L Apo 909_942_1106_1110.pdb
#10  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88310 25poses pose 1 MeV L Apo 909_942_1106_1110.pdb #11  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88310 25poses pose 5 MeV L Apo 909_942_1106_1110.pdb #12  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88310 25poses pose 10 MeV L Apo 909_942_1106_1110.pdb
#13  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88310 25poses pose 15 MeV L Apo 909_942_1106_1110.pdb
#14  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88310 25poses pose 20 MeV L Apo 909_942_1106_1110.pdb
#15  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for 88310 25poses pose 25 MeV L Apo 909_942_1106_1110.pdb
#16  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  

> hide #!4 models

> hide #!3 models

> view clip false

> style #!5-16 stick

Changed 308172 atom styles  

> show #!5-16 cartoons

Computing secondary structure  

> show #!5-16 cartoons

> ui mousemode right select

Drag select of 130788 atoms, 12084 residues, 36 pseudobonds, 121704 bonds  

> hide sel atoms

Drag select of 696 atoms, 1032 residues, 648 bonds  

> hide sel atoms

Drag select of 36320 atoms, 5400 residues, 33541 bonds  

> hide sel atoms

Drag select of 18816 atoms, 2532 residues, 24 pseudobonds, 17466 bonds  

> hide sel atoms

Drag select of 8811 atoms, 2808 residues, 12 pseudobonds, 8038 bonds  

> select clear

Drag select of 7620 atoms, 2700 residues, 7044 bonds  

> hide sel atoms

Drag select of 2772 atoms, 2604 residues, 2544 bonds  

> hide sel atoms

> select clear

> color #5 #0433ffff

> color #6 #00fa92ff

> color #7 #ff2600ff

> color #5 #ff2600ff

> color #6 #ff9300ff

> color #7 #fffb00ff

> color #8 #8efa00ff

> color #9 #00f900ff

> color #10 #00fa92ff

> color #11 #00fdffff

> color #12 #0096ffff

> color #13 #0433ffff

> color #14 #9437ffff

> color #15 #ff40ffff

> color #16 #ff2f92ff

> view clip false

> ui mousemode right translate

> ui tool show ""Show Sequence Viewer""

> sequence chain #3/A #4/A #5/A #6/A #7/A #8/A #9/A #10/A #11/A #12/A #13/A
> #14/A #15/A #16/A

Alignment identifier is 8  

> sequence chain #3/B #4/B #5/B #6/B #7/B #8/B #9/B #10/B #11/B #12/B #13/B
> #14/B #15/B #16/B

Alignment identifier is 9  

> sequence chain #3/C #4/C #5/C #6/C #7/C #8/C #9/C #10/C #11/C #12/C #13/C
> #14/C #15/C #16/C

Alignment identifier is 10  

> sequence chain #3/D #4/D #5/D #6/D #7/D #8/D #9/D #10/D #11/D #12/D #13/D
> #14/D #15/D #16/D

Alignment identifier is 11  

> sequence chain #3/E #4/E #5/E #6/E #7/E #8/E #9/E #10/E #11/E #12/E #13/E
> #14/E #15/E #16/E

Alignment identifier is 12  

> select #3/B:325 #4/B:325 #5/B:325 #6/B:325 #7/B:325 #8/B:325 #9/B:325
> #10/B:325 #11/B:325 #12/B:325 #13/B:325 #14/B:325 #15/B:325 #16/B:325

294 atoms, 280 bonds, 14 residues, 14 models selected  

> select #3/B #4/B #5/B #6/B #7/B #8/B #9/B #10/B #11/B #12/B #13/B #14/B
> #15/B #16/B

16758 atoms, 16814 bonds, 14 pseudobonds, 1036 residues, 28 models selected  
9 [ID: 9] region 14 chains [1-74] RMSD: 0.000  
  

> hide sel & #!5-16 atoms

> select clear

> select #3/C:429-507 #4/C:429-507 #5/C:429-507 #6/C:429-507 #7/C:429-507
> #8/C:429-507 #9/C:429-507 #10/C:429-507 #11/C:429-507 #12/C:429-507
> #13/C:429-507 #14/C:429-507 #15/C:429-507 #16/C:429-507

18270 atoms, 18368 bonds, 1106 residues, 14 models selected  
10 [ID: 10] region 14 chains [1-132] RMSD: 0.000  
  

> hide sel & #!5-16 atoms

> select #3/D:324-325 #4/D:324-325 #5/D:324-325 #6/D:324-325 #7/D:324-325
> #8/D:324-325 #9/D:324-325 #10/D:324-325 #11/D:324-325 #12/D:324-325
> #13/D:324-325 #14/D:324-325 #15/D:324-325 #16/D:324-325

602 atoms, 588 bonds, 28 residues, 14 models selected  

> select #3/D #4/D #5/D #6/D #7/D #8/D #9/D #10/D #11/D #12/D #13/D #14/D
> #15/D #16/D

12950 atoms, 12978 bonds, 798 residues, 14 models selected  
11 [ID: 11] region 14 chains [1-57] RMSD: 0.000  
  

> hide sel & #!5-16 atoms

> select #3/E:324-341 #4/E:324-341 #5/E:324-341 #6/E:324-341 #7/E:324-341
> #8/E:324-341 #9/E:324-341 #10/E:324-341 #11/E:324-341 #12/E:324-341
> #13/E:324-341 #14/E:324-341 #15/E:324-341 #16/E:324-341

4382 atoms, 4382 bonds, 252 residues, 14 models selected  

> select #3/E #4/E #5/E #6/E #7/E #8/E #9/E #10/E #11/E #12/E #13/E #14/E
> #15/E #16/E

16506 atoms, 16590 bonds, 1036 residues, 14 models selected  
12 [ID: 12] region 14 chains [1-74] RMSD: 0.000  
  

> hide sel & #!5-16 atoms

> select #3/A:7 #4/A:7 #5/A:7 #6/A:7 #7/A:7 #8/A:7 #9/A:7 #10/A:7 #11/A:7
> #12/A:7 #13/A:7 #14/A:7 #15/A:7 #16/A:7

224 atoms, 210 bonds, 14 residues, 14 models selected  

> select #3/A #4/A #5/A #6/A #7/A #8/A #9/A #10/A #11/A #12/A #13/A #14/A
> #15/A #16/A

282436 atoms, 285572 bonds, 84 pseudobonds, 17542 residues, 28 models selected  
8 [ID: 8] region 14 chains [1-1253] RMSD: 0.000  
  

> hide sel & #!5-16 atoms

> ui mousemode right select

> select clear

> ui mousemode right translate

> select #3/A:991 #4/A:991 #5/A:991 #6/A:991 #7/A:991 #8/A:991 #9/A:991
> #10/A:991 #11/A:991 #12/A:991 #13/A:991 #14/A:991 #15/A:991 #16/A:991

280 atoms, 280 bonds, 14 residues, 14 models selected  

> select #3/A:991 #4/A:991 #5/A:991 #6/A:991 #7/A:991 #8/A:991 #9/A:991
> #10/A:991 #11/A:991 #12/A:991 #13/A:991 #14/A:991 #15/A:991 #16/A:991

280 atoms, 280 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [903] RMSD: 0.000  
  

> show sel & #!5-16 atoms

> select #3/A:1024 #4/A:1024 #5/A:1024 #6/A:1024 #7/A:1024 #8/A:1024 #9/A:1024
> #10/A:1024 #11/A:1024 #12/A:1024 #13/A:1024 #14/A:1024 #15/A:1024 #16/A:1024

238 atoms, 238 bonds, 14 residues, 14 models selected  

> select #3/A:1024 #4/A:1024 #5/A:1024 #6/A:1024 #7/A:1024 #8/A:1024 #9/A:1024
> #10/A:1024 #11/A:1024 #12/A:1024 #13/A:1024 #14/A:1024 #15/A:1024 #16/A:1024

238 atoms, 238 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [936] RMSD: 0.000  
  

> show sel & #!5-16 atoms

> select
> #3/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #4/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #5/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #6/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #7/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #8/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #9/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #10/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #11/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #12/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #13/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #14/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #15/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347
> #16/A:22-31,44-55,60-76,91-94,104-134,144-150,152-157,162-182,225-247,249-272,274-294,303-318,324-338,347-352,363-374,382-403,419-427,433-438,477-479,482-484,498-504,510-518,551-571,667-670,673-687,695-702,722-724,744-762,789-814,847-851,864-881,885-905,914-922,924-932,935-937,956-969,976-983,991-996,1009-1023,1038-1050,1057-1066,1068-1078,1082-1092,1097-1103,1106-1119,1133-1144,1146-1149,1162-1165,1177-1182,1233-1248,1253-1265,1271-1277,1303-1306,1330-1347

147770 atoms, 148330 bonds, 8932 residues, 14 models selected  

> select #3/A:7 #4/A:7 #5/A:7 #6/A:7 #7/A:7 #8/A:7 #9/A:7 #10/A:7 #11/A:7
> #12/A:7 #13/A:7 #14/A:7 #15/A:7 #16/A:7

224 atoms, 210 bonds, 14 residues, 14 models selected  

> select #3/A #4/A #5/A #6/A #7/A #8/A #9/A #10/A #11/A #12/A #13/A #14/A
> #15/A #16/A

282436 atoms, 285572 bonds, 84 pseudobonds, 17542 residues, 28 models selected  
8 [ID: 8] region 14 chains [1-1253] RMSD: 0.000  
  

> hide sel & #!5-16 atoms

> ui mousemode right select

> select clear

> ui mousemode right translate

> select #3/A:7 #4/A:7 #5/A:7 #6/A:7 #7/A:7 #8/A:7 #9/A:7 #10/A:7 #11/A:7
> #12/A:7 #13/A:7 #14/A:7 #15/A:7 #16/A:7

224 atoms, 210 bonds, 14 residues, 14 models selected  

> select #3/A:7 #4/A:7 #5/A:7 #6/A:7 #7/A:7 #8/A:7 #9/A:7 #10/A:7 #11/A:7
> #12/A:7 #13/A:7 #14/A:7 #15/A:7 #16/A:7

224 atoms, 210 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [1] RMSD: 0.000  
  

> select #3/A:909 #4/A:909 #5/A:909 #6/A:909 #7/A:909 #8/A:909 #9/A:909
> #10/A:909 #11/A:909 #12/A:909 #13/A:909 #14/A:909 #15/A:909 #16/A:909

196 atoms, 182 bonds, 14 residues, 14 models selected  

> select #3/A:909 #4/A:909 #5/A:909 #6/A:909 #7/A:909 #8/A:909 #9/A:909
> #10/A:909 #11/A:909 #12/A:909 #13/A:909 #14/A:909 #15/A:909 #16/A:909

196 atoms, 182 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [821] RMSD: 0.000  
  

> show sel & #!5-16 atoms

> select #3/A:942-943 #4/A:942-943 #5/A:942-943 #6/A:942-943 #7/A:942-943
> #8/A:942-943 #9/A:942-943 #10/A:942-943 #11/A:942-943 #12/A:942-943
> #13/A:942-943 #14/A:942-943 #15/A:942-943 #16/A:942-943

560 atoms, 560 bonds, 28 residues, 14 models selected  

> select #3/A:942 #4/A:942 #5/A:942 #6/A:942 #7/A:942 #8/A:942 #9/A:942
> #10/A:942 #11/A:942 #12/A:942 #13/A:942 #14/A:942 #15/A:942 #16/A:942

294 atoms, 294 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [854] RMSD: 0.000  
  

> select #3/A:942 #4/A:942 #5/A:942 #6/A:942 #7/A:942 #8/A:942 #9/A:942
> #10/A:942 #11/A:942 #12/A:942 #13/A:942 #14/A:942 #15/A:942 #16/A:942

294 atoms, 294 bonds, 14 residues, 14 models selected  

> select #3/A:942 #4/A:942 #5/A:942 #6/A:942 #7/A:942 #8/A:942 #9/A:942
> #10/A:942 #11/A:942 #12/A:942 #13/A:942 #14/A:942 #15/A:942 #16/A:942

294 atoms, 294 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [854] RMSD: 0.000  
  

> show sel & #!5-16 atoms

> select #3/A:1106 #4/A:1106 #5/A:1106 #6/A:1106 #7/A:1106 #8/A:1106 #9/A:1106
> #10/A:1106 #11/A:1106 #12/A:1106 #13/A:1106 #14/A:1106 #15/A:1106 #16/A:1106

294 atoms, 294 bonds, 14 residues, 14 models selected  

> select #3/A:1106 #4/A:1106 #5/A:1106 #6/A:1106 #7/A:1106 #8/A:1106 #9/A:1106
> #10/A:1106 #11/A:1106 #12/A:1106 #13/A:1106 #14/A:1106 #15/A:1106 #16/A:1106

294 atoms, 294 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [1018] RMSD: 0.000  
  

> show sel & #!5-16 atoms

> select #3/A:1110 #4/A:1110 #5/A:1110 #6/A:1110 #7/A:1110 #8/A:1110 #9/A:1110
> #10/A:1110 #11/A:1110 #12/A:1110 #13/A:1110 #14/A:1110 #15/A:1110 #16/A:1110

238 atoms, 224 bonds, 14 residues, 14 models selected  

> select #3/A:1110 #4/A:1110 #5/A:1110 #6/A:1110 #7/A:1110 #8/A:1110 #9/A:1110
> #10/A:1110 #11/A:1110 #12/A:1110 #13/A:1110 #14/A:1110 #15/A:1110 #16/A:1110

238 atoms, 224 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [1022] RMSD: 0.000  
  

> show sel & #!5-16 atoms

> color (#!5-16 & sel) light gray

> select #3/A:1106 #4/A:1106 #5/A:1106 #6/A:1106 #7/A:1106 #8/A:1106 #9/A:1106
> #10/A:1106 #11/A:1106 #12/A:1106 #13/A:1106 #14/A:1106 #15/A:1106 #16/A:1106

294 atoms, 294 bonds, 14 residues, 14 models selected  

> select #3/A:1106 #4/A:1106 #5/A:1106 #6/A:1106 #7/A:1106 #8/A:1106 #9/A:1106
> #10/A:1106 #11/A:1106 #12/A:1106 #13/A:1106 #14/A:1106 #15/A:1106 #16/A:1106

294 atoms, 294 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [1018] RMSD: 0.000  
  

> color (#!5-16 & sel) light gray

> select #3/A:942 #4/A:942 #5/A:942 #6/A:942 #7/A:942 #8/A:942 #9/A:942
> #10/A:942 #11/A:942 #12/A:942 #13/A:942 #14/A:942 #15/A:942 #16/A:942

294 atoms, 294 bonds, 14 residues, 14 models selected  

> select #3/A:942 #4/A:942 #5/A:942 #6/A:942 #7/A:942 #8/A:942 #9/A:942
> #10/A:942 #11/A:942 #12/A:942 #13/A:942 #14/A:942 #15/A:942 #16/A:942

294 atoms, 294 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [854] RMSD: 0.000  
  

> color (#!5-16 & sel) light gray

> select #3/A:909 #4/A:909 #5/A:909 #6/A:909 #7/A:909 #8/A:909 #9/A:909
> #10/A:909 #11/A:909 #12/A:909 #13/A:909 #14/A:909 #15/A:909 #16/A:909

196 atoms, 182 bonds, 14 residues, 14 models selected  

> select #3/A:909 #4/A:909 #5/A:909 #6/A:909 #7/A:909 #8/A:909 #9/A:909
> #10/A:909 #11/A:909 #12/A:909 #13/A:909 #14/A:909 #15/A:909 #16/A:909

196 atoms, 182 bonds, 14 residues, 14 models selected  
8 [ID: 8] region 14 chains [821] RMSD: 0.000  
  

> color (#!5-16 & sel) light gray

> ui mousemode right select

> select clear

> ui mousemode right translate

> ui mousemode right clip

> ui mousemode right translate

> hide #!11 models

> hide #!12 models

> hide #!13 models

> hide #!14 models

> hide #!15 models

> hide #!16 models

> save /Users/michael/Desktop/image1.png supersample 3

> show #!11 models

> show #!12 models

> show #!13 models

> show #!14 models

> show #!15 models

> show #!16 models

> hide #!5 models

> hide #!6 models

> hide #!7 models

> hide #!8 models

> hide #!9 models

> hide #!10 models

> save /Users/michael/Desktop/image2.png supersample 3

> set bgColor white

> save /Users/michael/Desktop/image3.png supersample 3

> show #!10 models

> show #!9 models

> show #!8 models

> show #!7 models

> show #!6 models

> show #!5 models

> hide #!11 models

> hide #!12 models

> hide #!13 models

> hide #!14 models

> hide #!15 models

> hide #!16 models

> save /Users/michael/Desktop/image4.png supersample 3

> ui mousemode right select

> select #5/A:942

21 atoms, 21 bonds, 1 residue, 1 model selected  

> select #5/A:1110

17 atoms, 16 bonds, 1 residue, 1 model selected  

> select #5/A:1106@HE1

1 atom, 1 residue, 1 model selected  

> select #5/A:909

14 atoms, 13 bonds, 1 residue, 1 model selected  

> open ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses
> pose 1 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses pose
> 5 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses pose
> 10 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses pose
> 15 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses pose
> 20 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88309 25poses pose
> 25 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88310 25poses pose
> 1 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88310 25poses pose
> 5 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88310 25poses pose
> 10 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88310 25poses pose
> 15 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88310 25poses pose
> 20 MeV L Elongation Homology 909_942_1106_1110.pdb""
> ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/88310 25poses pose
> 25 MeV L Elongation Homology 909_942_1106_1110.pdb""

Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 1 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 5 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 10 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 15 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 20 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88309 25poses pose 25 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 1 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 5 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 10 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 15 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 20 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/88310 25poses pose 25 MeV L Elongation Homology
909_942_1106_1110.pdb  
---  
warnings | Ignored bad PDB record found on line 173  
HELIX 1 1 THR F 22 ALA F 32 1 Generated by MOE 11  
  
Ignored bad PDB record found on line 174  
HELIX 2 2 PRO F 43 LYS F 54 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 175  
HELIX 3 3 GLN F 60 LYS F 75 1 Generated by MOE 16  
  
Ignored bad PDB record found on line 176  
HELIX 4 4 TYR F 79 ALA F 81 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 177  
HELIX 5 5 TYR F 87 LEU F 94 1 Generated by MOE 8  
  
143 messages similar to the above omitted  
  
Chain information for 88309 25poses pose 1 MeV L Elongation Homology
909_942_1106_1110.pdb #17  
---  
Chain | Description  
F | No description available  
  
Chain information for 88309 25poses pose 5 MeV L Elongation Homology
909_942_1106_1110.pdb #18  
---  
Chain | Description  
F | No description available  
  
Chain information for 88309 25poses pose 10 MeV L Elongation Homology
909_942_1106_1110.pdb #19  
---  
Chain | Description  
F | No description available  
  
Chain information for 88309 25poses pose 15 MeV L Elongation Homology
909_942_1106_1110.pdb #20  
---  
Chain | Description  
F | No description available  
  
Chain information for 88309 25poses pose 20 MeV L Elongation Homology
909_942_1106_1110.pdb #21  
---  
Chain | Description  
F | No description available  
  
Chain information for 88309 25poses pose 25 MeV L Elongation Homology
909_942_1106_1110.pdb #22  
---  
Chain | Description  
F | No description available  
  
Chain information for 88310 25poses pose 1 MeV L Elongation Homology
909_942_1106_1110.pdb #23  
---  
Chain | Description  
F | No description available  
  
Chain information for 88310 25poses pose 5 MeV L Elongation Homology
909_942_1106_1110.pdb #24  
---  
Chain | Description  
F | No description available  
  
Chain information for 88310 25poses pose 10 MeV L Elongation Homology
909_942_1106_1110.pdb #25  
---  
Chain | Description  
F | No description available  
  
Chain information for 88310 25poses pose 15 MeV L Elongation Homology
909_942_1106_1110.pdb #26  
---  
Chain | Description  
F | No description available  
  
Chain information for 88310 25poses pose 20 MeV L Elongation Homology
909_942_1106_1110.pdb #27  
---  
Chain | Description  
F | No description available  
  
Chain information for 88310 25poses pose 25 MeV L Elongation Homology
909_942_1106_1110.pdb #28  
---  
Chain | Description  
F | No description available  
  
Computing secondary structure  

> ui tool show ""Similar Structures""

> align

Missing or invalid ""atoms"" argument: empty atom specifier  

> select add #5

25679 atoms, 25926 bonds, 8 pseudobonds, 1591 residues, 2 models selected  

> select subtract #5

Nothing selected  

> hide #!5 models

> hide #!6 models

> hide #!7 models

> hide #!8 models

> hide #!9 models

> hide #!10 models

> color #17 #941100ff

> color #18 #945200ff

> color #19 #929000ff

> color #20 #4f8f00ff

> color #21 #008f00ff

> color #22 #009051ff

> color #23 #009193ff

> color #24 #005493ff

> color #25 #011993ff

> color #26 #531b93ff

> color #27 #942193ff

> color #28 #941751ff

> ui mousemode right translate

> hide #17 models

> show #17 models

> ui tool show ""Show Sequence Viewer""

> sequence chain #17/F #18/F #19/F #20/F #21/F #22/F #23/F #24/F #25/F #26/F
> #27/F #28/F

Alignment identifier is 13  

> select #17/F:909-910 #18/F:909-910 #19/F:909-910 #20/F:909-910 #21/F:909-910
> #22/F:909-910 #23/F:909-910 #24/F:909-910 #25/F:909-910 #26/F:909-910
> #27/F:909-910 #28/F:909-910

300 atoms, 288 bonds, 24 residues, 12 models selected  

> select #17/F:909-910 #18/F:909-910 #19/F:909-910 #20/F:909-910 #21/F:909-910
> #22/F:909-910 #23/F:909-910 #24/F:909-910 #25/F:909-910 #26/F:909-910
> #27/F:909-910 #28/F:909-910

300 atoms, 288 bonds, 24 residues, 12 models selected  
13 [ID: 13] region 12 chains [905-906] RMSD: 0.000  
  

> select #17/F:909 #18/F:909 #19/F:909 #20/F:909 #21/F:909 #22/F:909 #23/F:909
> #24/F:909 #25/F:909 #26/F:909 #27/F:909 #28/F:909

168 atoms, 156 bonds, 12 residues, 12 models selected  

> select #17/F:909 #18/F:909 #19/F:909 #20/F:909 #21/F:909 #22/F:909 #23/F:909
> #24/F:909 #25/F:909 #26/F:909 #27/F:909 #28/F:909

168 atoms, 156 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [905] RMSD: 0.000  
  

> select #17/F:909 #18/F:909 #19/F:909 #20/F:909 #21/F:909 #22/F:909 #23/F:909
> #24/F:909 #25/F:909 #26/F:909 #27/F:909 #28/F:909

168 atoms, 156 bonds, 12 residues, 12 models selected  

> select #17/F:909 #18/F:909 #19/F:909 #20/F:909 #21/F:909 #22/F:909 #23/F:909
> #24/F:909 #25/F:909 #26/F:909 #27/F:909 #28/F:909

168 atoms, 156 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [905] RMSD: 0.000  
  

> show sel atoms

> color sel light gray

> select #17/F:942-943 #18/F:942-943 #19/F:942-943 #20/F:942-943 #21/F:942-943
> #22/F:942-943 #23/F:942-943 #24/F:942-943 #25/F:942-943 #26/F:942-943
> #27/F:942-943 #28/F:942-943

480 atoms, 480 bonds, 24 residues, 12 models selected  

> select #17/F:942-943 #18/F:942-943 #19/F:942-943 #20/F:942-943 #21/F:942-943
> #22/F:942-943 #23/F:942-943 #24/F:942-943 #25/F:942-943 #26/F:942-943
> #27/F:942-943 #28/F:942-943

480 atoms, 480 bonds, 24 residues, 12 models selected  
13 [ID: 13] region 12 chains [938-939] RMSD: 0.000  
  

> select #17/F:942 #18/F:942 #19/F:942 #20/F:942 #21/F:942 #22/F:942 #23/F:942
> #24/F:942 #25/F:942 #26/F:942 #27/F:942 #28/F:942

252 atoms, 252 bonds, 12 residues, 12 models selected  

> select #17/F:942 #18/F:942 #19/F:942 #20/F:942 #21/F:942 #22/F:942 #23/F:942
> #24/F:942 #25/F:942 #26/F:942 #27/F:942 #28/F:942

252 atoms, 252 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [938] RMSD: 0.000  
  

> show sel atoms

> color sel light gray

> select #17/F:1106 #18/F:1106 #19/F:1106 #20/F:1106 #21/F:1106 #22/F:1106
> #23/F:1106 #24/F:1106 #25/F:1106 #26/F:1106 #27/F:1106 #28/F:1106

252 atoms, 252 bonds, 12 residues, 12 models selected  

> select #17/F:1106 #18/F:1106 #19/F:1106 #20/F:1106 #21/F:1106 #22/F:1106
> #23/F:1106 #24/F:1106 #25/F:1106 #26/F:1106 #27/F:1106 #28/F:1106

252 atoms, 252 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [1102] RMSD: 0.000  
  

> show sel atoms

> color sel light gray

> select #17/F:1110-1111 #18/F:1110-1111 #19/F:1110-1111 #20/F:1110-1111
> #21/F:1110-1111 #22/F:1110-1111 #23/F:1110-1111 #24/F:1110-1111
> #25/F:1110-1111 #26/F:1110-1111 #27/F:1110-1111 #28/F:1110-1111

444 atoms, 444 bonds, 24 residues, 12 models selected  

> select #17/F:1110-1111 #18/F:1110-1111 #19/F:1110-1111 #20/F:1110-1111
> #21/F:1110-1111 #22/F:1110-1111 #23/F:1110-1111 #24/F:1110-1111
> #25/F:1110-1111 #26/F:1110-1111 #27/F:1110-1111 #28/F:1110-1111

444 atoms, 444 bonds, 24 residues, 12 models selected  
13 [ID: 13] region 12 chains [1106-1107] RMSD: 0.000  
  

> select #17/F:1110 #18/F:1110 #19/F:1110 #20/F:1110 #21/F:1110 #22/F:1110
> #23/F:1110 #24/F:1110 #25/F:1110 #26/F:1110 #27/F:1110 #28/F:1110

204 atoms, 192 bonds, 12 residues, 12 models selected  

> select #17/F:1110 #18/F:1110 #19/F:1110 #20/F:1110 #21/F:1110 #22/F:1110
> #23/F:1110 #24/F:1110 #25/F:1110 #26/F:1110 #27/F:1110 #28/F:1110

204 atoms, 192 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [1106] RMSD: 0.000  
  

> show sel atoms

> color sel light gray

> ui mousemode right select

> select #17/F:858

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select #17/F:858

15 atoms, 14 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #17/F:858

15 atoms, 14 bonds, 1 residue, 1 model selected  
Drag select of 96 residues, 6 atoms, 4 bonds  
Drag select of 48 atoms, 480 residues, 43 bonds  
Drag select of 432 residues, 2 atoms, 2 bonds  

> hide sel atoms

> select #17/F:1101

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #17/F:1102

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select #17/F:863

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select #17/F:863

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select clear

> select #17/F:862

12 atoms, 11 bonds, 1 residue, 1 model selected  

> select #17/F:863

15 atoms, 14 bonds, 1 residue, 1 model selected  
Drag select of 132 residues, 5 atoms, 6 bonds  
Drag select of 180 residues, 15 atoms, 3 bonds  
Drag select of 48 residues  
Drag select of 372 residues, 40 atoms, 30 bonds  

> select #17/F:5-88 #18/F:5-88 #19/F:5-88 #20/F:5-88 #21/F:5-88 #22/F:5-88
> #23/F:5-88 #24/F:5-88 #25/F:5-88 #26/F:5-88 #27/F:5-88 #28/F:5-88

16296 atoms, 16500 bonds, 1008 residues, 12 models selected  

> select #17/F #18/F #19/F #20/F #21/F #22/F #23/F #24/F #25/F #26/F #27/F
> #28/F

418728 atoms, 423324 bonds, 26124 residues, 12 models selected  
13 [ID: 13] region 12 chains [1-2177] RMSD: 0.000  
  

> hide sel atoms

> select clear

> select #17/F:1110

17 atoms, 16 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #17/F:1106

21 atoms, 21 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #17/F:909

14 atoms, 13 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #17/F:942

21 atoms, 21 bonds, 1 residue, 1 model selected  

> show sel atoms

> ui mousemode right translate

> ui mousemode right clip

> ui mousemode right select

> ui mousemode right translate

> hide #17 models

> show #17 models

> select #17/F:909 #18/F:909 #19/F:909 #20/F:909 #21/F:909 #22/F:909 #23/F:909
> #24/F:909 #25/F:909 #26/F:909 #27/F:909 #28/F:909

168 atoms, 156 bonds, 12 residues, 12 models selected  

> select #17/F:909 #18/F:909 #19/F:909 #20/F:909 #21/F:909 #22/F:909 #23/F:909
> #24/F:909 #25/F:909 #26/F:909 #27/F:909 #28/F:909

168 atoms, 156 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [905] RMSD: 0.000  
  

> show sel atoms

> select #17/F:942 #18/F:942 #19/F:942 #20/F:942 #21/F:942 #22/F:942 #23/F:942
> #24/F:942 #25/F:942 #26/F:942 #27/F:942 #28/F:942

252 atoms, 252 bonds, 12 residues, 12 models selected  

> select #17/F:942 #18/F:942 #19/F:942 #20/F:942 #21/F:942 #22/F:942 #23/F:942
> #24/F:942 #25/F:942 #26/F:942 #27/F:942 #28/F:942

252 atoms, 252 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [938] RMSD: 0.000  
  

> show sel atoms

> select #17/F:1106 #18/F:1106 #19/F:1106 #20/F:1106 #21/F:1106 #22/F:1106
> #23/F:1106 #24/F:1106 #25/F:1106 #26/F:1106 #27/F:1106 #28/F:1106

252 atoms, 252 bonds, 12 residues, 12 models selected  

> select #17/F:1106 #18/F:1106 #19/F:1106 #20/F:1106 #21/F:1106 #22/F:1106
> #23/F:1106 #24/F:1106 #25/F:1106 #26/F:1106 #27/F:1106 #28/F:1106

252 atoms, 252 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [1102] RMSD: 0.000  
  

> show sel atoms

> select #17/F:1110 #18/F:1110 #19/F:1110 #20/F:1110 #21/F:1110 #22/F:1110
> #23/F:1110 #24/F:1110 #25/F:1110 #26/F:1110 #27/F:1110 #28/F:1110

204 atoms, 192 bonds, 12 residues, 12 models selected  

> select #17/F:1110 #18/F:1110 #19/F:1110 #20/F:1110 #21/F:1110 #22/F:1110
> #23/F:1110 #24/F:1110 #25/F:1110 #26/F:1110 #27/F:1110 #28/F:1110

204 atoms, 192 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [1106] RMSD: 0.000  
  

> show sel atoms

> ui mousemode right select

> select clear

> ui mousemode right translate

> color #28 #ff85ffff

> color #28 #941751ff

> hide #23 models

> hide #24 models

> hide #25 models

> hide #26 models

> hide #27 models

> hide #28 models

> show #28 models

> hide #28 models

> show #28 models

> hide #28 models

> show #28 models

> hide #28 models

> show #28 models

> hide #28 models

> save /Users/michael/Desktop/image1.png supersample 3

> hide #17 models

> hide #18 models

> hide #19 models

> hide #20 models

> hide #21 models

> hide #22 models

> show #23 models

> show #24 models

> show #25 models

> show #26 models

> show #27 models

> show #28 models

> select #17/F:1110 #18/F:1110 #19/F:1110 #20/F:1110 #21/F:1110 #22/F:1110
> #23/F:1110 #24/F:1110 #25/F:1110 #26/F:1110 #27/F:1110 #28/F:1110

204 atoms, 192 bonds, 12 residues, 12 models selected  

> select #17/F:1110 #18/F:1110 #19/F:1110 #20/F:1110 #21/F:1110 #22/F:1110
> #23/F:1110 #24/F:1110 #25/F:1110 #26/F:1110 #27/F:1110 #28/F:1110

204 atoms, 192 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [1106] RMSD: 0.000  
  

> color (#23-28 & sel) light gray

> select #17/F:1106-1107 #18/F:1106-1107 #19/F:1106-1107 #20/F:1106-1107
> #21/F:1106-1107 #22/F:1106-1107 #23/F:1106-1107 #24/F:1106-1107
> #25/F:1106-1107 #26/F:1106-1107 #27/F:1106-1107 #28/F:1106-1107

396 atoms, 396 bonds, 24 residues, 12 models selected  

> select #17/F:1106-1107 #18/F:1106-1107 #19/F:1106-1107 #20/F:1106-1107
> #21/F:1106-1107 #22/F:1106-1107 #23/F:1106-1107 #24/F:1106-1107
> #25/F:1106-1107 #26/F:1106-1107 #27/F:1106-1107 #28/F:1106-1107

396 atoms, 396 bonds, 24 residues, 12 models selected  
13 [ID: 13] region 12 chains [1102-1103] RMSD: 0.000  
  

> select #17/F:1107 #18/F:1107 #19/F:1107 #20/F:1107 #21/F:1107 #22/F:1107
> #23/F:1107 #24/F:1107 #25/F:1107 #26/F:1107 #27/F:1107 #28/F:1107

144 atoms, 132 bonds, 12 residues, 12 models selected  

> select #17/F:1106-1107 #18/F:1106-1107 #19/F:1106-1107 #20/F:1106-1107
> #21/F:1106-1107 #22/F:1106-1107 #23/F:1106-1107 #24/F:1106-1107
> #25/F:1106-1107 #26/F:1106-1107 #27/F:1106-1107 #28/F:1106-1107

396 atoms, 396 bonds, 24 residues, 12 models selected  
13 [ID: 13] region 12 chains [1102-1103] RMSD: 0.000  
  

> select #17/F:1106 #18/F:1106 #19/F:1106 #20/F:1106 #21/F:1106 #22/F:1106
> #23/F:1106 #24/F:1106 #25/F:1106 #26/F:1106 #27/F:1106 #28/F:1106

252 atoms, 252 bonds, 12 residues, 12 models selected  

> select #17/F:1106 #18/F:1106 #19/F:1106 #20/F:1106 #21/F:1106 #22/F:1106
> #23/F:1106 #24/F:1106 #25/F:1106 #26/F:1106 #27/F:1106 #28/F:1106

252 atoms, 252 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [1102] RMSD: 0.000  
  

> select #17/F:1106 #18/F:1106 #19/F:1106 #20/F:1106 #21/F:1106 #22/F:1106
> #23/F:1106 #24/F:1106 #25/F:1106 #26/F:1106 #27/F:1106 #28/F:1106

252 atoms, 252 bonds, 12 residues, 12 models selected  

> select #17/F:1106 #18/F:1106 #19/F:1106 #20/F:1106 #21/F:1106 #22/F:1106
> #23/F:1106 #24/F:1106 #25/F:1106 #26/F:1106 #27/F:1106 #28/F:1106

252 atoms, 252 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [1102] RMSD: 0.000  
  

> color (#23-28 & sel) light gray

> select #17/F:942 #18/F:942 #19/F:942 #20/F:942 #21/F:942 #22/F:942 #23/F:942
> #24/F:942 #25/F:942 #26/F:942 #27/F:942 #28/F:942

252 atoms, 252 bonds, 12 residues, 12 models selected  

> select #17/F:942 #18/F:942 #19/F:942 #20/F:942 #21/F:942 #22/F:942 #23/F:942
> #24/F:942 #25/F:942 #26/F:942 #27/F:942 #28/F:942

252 atoms, 252 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [938] RMSD: 0.000  
  

> color (#23-28 & sel) light gray

> select #17/F:909 #18/F:909 #19/F:909 #20/F:909 #21/F:909 #22/F:909 #23/F:909
> #24/F:909 #25/F:909 #26/F:909 #27/F:909 #28/F:909

168 atoms, 156 bonds, 12 residues, 12 models selected  

> select #17/F:909 #18/F:909 #19/F:909 #20/F:909 #21/F:909 #22/F:909 #23/F:909
> #24/F:909 #25/F:909 #26/F:909 #27/F:909 #28/F:909

168 atoms, 156 bonds, 12 residues, 12 models selected  
13 [ID: 13] region 12 chains [905] RMSD: 0.000  
  

> color (#23-28 & sel) light gray

> ui mousemode right select

> select clear

> ui mousemode right translate

> save /Users/michael/Desktop/image2.png supersample 3

> ui mousemode right clip

> ui mousemode right select

> ui mousemode right translate

> ui mousemode right zoom

> ui mousemode right ""crop volume""

> ui mousemode right clip

> ui mousemode right translate

> open ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/Sensitized
> NiV L /88309_Docked_NiV_L_APO_Sensitized.pdb""

Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/Sensitized NiV L /88309_Docked_NiV_L_APO_Sensitized.pdb  
---  
warnings | Ignored bad PDB record found on line 141  
HELIX 1 1 PRO C 480 PHE C 484 1 Generated by MOE 5  
  
Ignored bad PDB record found on line 142  
HELIX 2 2 PRO C 490 LEU C 503 1 Generated by MOE 14  
  
Ignored bad PDB record found on line 143  
HELIX 3 3 LEU C 508 GLU C 537 1 Generated by MOE 30  
  
Ignored bad PDB record found on line 144  
HELIX 4 4 GLN C 539 LYS C 541 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 145  
HELIX 5 5 ILE C 543 SER C 573 1 Generated by MOE 31  
  
109 messages similar to the above omitted  
  
Chain information for 88309_Docked_NiV_L_APO_Sensitized.pdb #29  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  

> open ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/Sensitized
> NiV L /88309_Docked_NiV_L_RNA_Sensitized.pdb""

Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/Sensitized NiV L /88309_Docked_NiV_L_RNA_Sensitized.pdb  
---  
warnings | Ignored bad PDB record found on line 204  
HELIX 1 1 PRO C 480 ASP C 483 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 205  
HELIX 2 2 PRO C 490 ASP C 501 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 206  
HELIX 3 3 LEU C 508 VAL C 540 1 Generated by MOE 33  
  
Ignored bad PDB record found on line 207  
HELIX 4 4 ILE C 543 VAL C 572 1 Generated by MOE 30  
  
Ignored bad PDB record found on line 208  
HELIX 5 5 PRO D 480 ASP D 483 1 Generated by MOE 4  
  
163 messages similar to the above omitted  
  
Chain information for 88309_Docked_NiV_L_RNA_Sensitized.pdb #30  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  

> open ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/Sensitized
> NiV L /88310_Docked_NiV_L_APO_Sensitized.pdb""

Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/Sensitized NiV L /88310_Docked_NiV_L_APO_Sensitized.pdb  
---  
warnings | Ignored bad PDB record found on line 141  
HELIX 1 1 PRO C 480 PHE C 484 1 Generated by MOE 5  
  
Ignored bad PDB record found on line 142  
HELIX 2 2 PRO C 490 LEU C 503 1 Generated by MOE 14  
  
Ignored bad PDB record found on line 143  
HELIX 3 3 LEU C 508 GLU C 537 1 Generated by MOE 30  
  
Ignored bad PDB record found on line 144  
HELIX 4 4 GLN C 539 LYS C 541 5 Generated by MOE 3  
  
Ignored bad PDB record found on line 145  
HELIX 5 5 ILE C 543 SER C 573 1 Generated by MOE 31  
  
109 messages similar to the above omitted  
  
Chain information for 88310_Docked_NiV_L_APO_Sensitized.pdb #31  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  

> open ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/Sensitized
> NiV L /88310_Docked_NiV_L_RNA_Sensitized.pdb""

Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/Sensitized NiV L /88310_Docked_NiV_L_RNA_Sensitized.pdb  
---  
warnings | Ignored bad PDB record found on line 204  
HELIX 1 1 PRO C 480 ASP C 483 1 Generated by MOE 4  
  
Ignored bad PDB record found on line 205  
HELIX 2 2 PRO C 490 ASP C 501 1 Generated by MOE 12  
  
Ignored bad PDB record found on line 206  
HELIX 3 3 LEU C 508 VAL C 540 1 Generated by MOE 33  
  
Ignored bad PDB record found on line 207  
HELIX 4 4 ILE C 543 VAL C 572 1 Generated by MOE 30  
  
Ignored bad PDB record found on line 208  
HELIX 5 5 PRO D 480 ASP D 483 1 Generated by MOE 4  
  
163 messages similar to the above omitted  
  
Chain information for 88310_Docked_NiV_L_RNA_Sensitized.pdb #32  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  

> color #29 #ff7e79ff

> color #30 #ffd479ff

> color #31 #fffc79ff

> color #32 #d4fb79ff

> ui mousemode right clip

> hide #28 models

> hide #27 models

> hide #26 models

> hide #25 models

> hide #24 models

> hide #23 models

> ui mousemode right translate

> style #!29-32 stick

Changed 139344 atom styles  

> show #!29-32 cartoons

Computing secondary structure  

> ui tool show ""Show Sequence Viewer""

> sequence chain #30/E #32/E

Alignment identifier is 1  

> sequence chain #30/B #32/B

Alignment identifier is 2  

> sequence chain #30/C #32/C

Alignment identifier is 3  

> sequence chain #30/D #32/D

Alignment identifier is 4  

> select #30/C:479-496 #32/C:479-496

558 atoms, 568 bonds, 36 residues, 2 models selected  

> select #30/C #32/C

3226 atoms, 3252 bonds, 202 residues, 2 models selected  
3 [ID: 3] region 2 chains [1-101] RMSD: 0.000  
  

> hide sel atoms

> select #30/D:480-483,490-502,508-577 #32/D:480-483,490-502,508-577

2780 atoms, 2792 bonds, 174 residues, 2 models selected  

> select #30/D:478-479 #32/D:478-479

76 atoms, 74 bonds, 4 residues, 2 models selected  

> select #30/D #32/D

3770 atoms, 3798 bonds, 236 residues, 2 models selected  
4 [ID: 4] region 2 chains [1-118] RMSD: 0.000  
  

> hide sel atoms

> select #30/E:478-495 #32/E:478-495

558 atoms, 568 bonds, 36 residues, 2 models selected  

> select #30/E #32/E

3380 atoms, 3406 bonds, 212 residues, 2 models selected  
1 [ID: 1] region 2 chains [1-106] RMSD: 0.000  
  

> hide sel atoms

> select #30/B:477 #32/B:477

46 atoms, 46 bonds, 2 residues, 2 models selected  

> select #30/B #32/B

6288 atoms, 6326 bonds, 4 pseudobonds, 390 residues, 4 models selected  
2 [ID: 2] region 2 chains [1-195] RMSD: 0.000  
  

> hide sel atoms

> select #30/B:709 #32/B:709

40 atoms, 38 bonds, 2 residues, 2 models selected  

> select #30/B:709 #32/B:709

40 atoms, 38 bonds, 2 residues, 2 models selected  
2 [ID: 2] region 2 chains [195] RMSD: 0.000  
  

> ui tool show ""Show Sequence Viewer""

> sequence chain #29/A #31/A

Alignment identifier is 5  

> sequence chain #29/B #31/B

Alignment identifier is 6  

> sequence chain #29/C #31/C

Alignment identifier is 7  

> sequence chain #29/D #31/D

Alignment identifier is 8  

> sequence chain #29/E #31/E

Alignment identifier is 9  

> sequence chain #30/A #32/A

Alignment identifier is 10  

> sequence chain #30/B #32/B

Alignment identifier is 11  

> sequence chain #30/C #32/C

Alignment identifier is 12  

> sequence chain #30/D #32/D

Alignment identifier is 13  

> sequence chain #30/E #32/E

Alignment identifier is 14  

> select #30/E:480-485,490-505,508-572 #32/E:480-485,490-505,508-572

2756 atoms, 2770 bonds, 174 residues, 2 models selected  

> select #30/D:480-483,490-502,508-577 #32/D:480-483,490-502,508-577

2780 atoms, 2792 bonds, 174 residues, 2 models selected  

> select #30/C:480-483,490-502,508-573 #32/C:480-483,490-502,508-573

2640 atoms, 2652 bonds, 166 residues, 2 models selected  

> select #30/B:480-483,490-501,508-574,603-608,658-671,675-687,691-705
> #32/B:480-483,490-501,508-574,603-608,658-671,675-687,691-705

4222 atoms, 4228 bonds, 262 residues, 2 models selected  

> select #30/B:609 #32/B:609

42 atoms, 42 bonds, 2 residues, 2 models selected  

> select #30/B:576-609 #32/B:576-609

620 atoms, 620 bonds, 2 pseudobonds, 36 residues, 4 models selected  
11 [ID: 11] region 2 chains [100-117] RMSD: 0.000  
  

> select #29/C:480-484,490-505,508-537,539-573
> #31/C:480-484,490-505,508-537,539-573

2726 atoms, 2738 bonds, 172 residues, 2 models selected  

> select #29/D:480-485,490-505,508-577 #31/D:480-485,490-505,508-577

2918 atoms, 2932 bonds, 184 residues, 2 models selected  

> select #29/E:480-483,490-503,508-573 #31/E:480-483,490-503,508-573

2678 atoms, 2690 bonds, 168 residues, 2 models selected  

> select #29/B:480-487,490-503,508-526,529-571,658-671,675-687,691-705
> #31/B:480-487,490-503,508-526,529-571,658-671,675-687,691-705

4062 atoms, 4072 bonds, 252 residues, 2 models selected  

> select #29/B:475 #31/B:475

28 atoms, 26 bonds, 2 residues, 2 models selected  

> select #29/B #31/B

6286 atoms, 6324 bonds, 4 pseudobonds, 392 residues, 4 models selected  
6 [ID: 6] region 2 chains [1-196] RMSD: 0.000  
  

> hide sel atoms

> select #29/C:476 #31/C:476

48 atoms, 46 bonds, 2 residues, 2 models selected  

> select #29/C #31/C

3364 atoms, 3392 bonds, 210 residues, 2 models selected  
7 [ID: 7] region 2 chains [1-105] RMSD: 0.000  
  

> hide sel atoms

> select #29/D:478 #31/D:478

42 atoms, 40 bonds, 2 residues, 2 models selected  

> select #29/D #31/D

3278 atoms, 3304 bonds, 206 residues, 2 models selected  
8 [ID: 8] region 2 chains [1-103] RMSD: 0.000  
  

> hide sel atoms

> select #29/E:478-497 #31/E:478-497

624 atoms, 634 bonds, 40 residues, 2 models selected  

> select #29/E #31/E

3322 atoms, 3348 bonds, 208 residues, 2 models selected  
9 [ID: 9] region 2 chains [1-104] RMSD: 0.000  
  

> hide sel atoms

> select
> #30/A:23-32,44-55,61-76,80-82,90-93,101-136,141-155,157-162,167-188,190-193,232-254,259-301,310-325,331-345,350-361,370-381,389-408,426-432,440-445,448-450,480-486,505-509,517-525,561-572,575-578,588-602,726-729,732-745,754-759,803-821,848-873,905-907,909-911,923-939,944-964,973-980,983-991,994-996,1004-1007,1015-1028,1034-1041,1050-1055,1068-1080,1096-1109,1116-1125,1127-1134,1165-1178,1192-1203,1205-1208,1221-1224,1239-1241,1292-1307,1312-1324,1330-1336,1392-1406,1483-1485,1488-1511,1516-1518,1531-1536,1539-1553,1555-1561,1565-1578,1582-1592,1595-1603,1620-1640,1654-1676,1690-1707,1728-1742,1780-1785,1805-1809,1819-1832,1848-1856,1884-1890,1896-1899,1911-1913,1919-1928,1949-1966,1985-1995,2029-2035,2044-2070,2084-2091,2098-2106,2114-2132,2151-2171,2178-2189,2199-2204,2207-2216,2228-2243
> #32/A:23-32,44-55,61-76,80-82,90-93,101-136,141-155,157-162,167-188,190-193,232-254,259-301,310-325,331-345,350-361,370-381,389-408,426-432,440-445,448-450,480-486,505-509,517-525,561-572,575-578,588-602,726-729,732-745,754-759,803-821,848-873,905-907,909-911,923-939,944-964,973-980,983-991,994-996,1004-1007,1015-1028,1034-1041,1050-1055,1068-1080,1096-1109,1116-1125,1127-1134,1165-1178,1192-1203,1205-1208,1221-1224,1239-1241,1292-1307,1312-1324,1330-1336,1392-1406,1483-1485,1488-1511,1516-1518,1531-1536,1539-1553,1555-1561,1565-1578,1582-1592,1595-1603,1620-1640,1654-1676,1690-1707,1728-1742,1780-1785,1805-1809,1819-1832,1848-1856,1884-1890,1896-1899,1911-1913,1919-1928,1949-1966,1985-1995,2029-2035,2044-2070,2084-2091,2098-2106,2114-2132,2151-2171,2178-2189,2199-2204,2207-2216,2228-2243

34312 atoms, 34446 bonds, 2052 residues, 2 models selected  

> select #29/A:5 #31/A:5

42 atoms, 40 bonds, 2 residues, 2 models selected  

> select #29/A:5-1451 #31/A:5-1451

39956 atoms, 40368 bonds, 12 pseudobonds, 2466 residues, 4 models selected  
5 [ID: 5] region 2 chains [1-1233] RMSD: 0.000  
  

> hide sel atoms

> select #30/A:6-130 #32/A:6-130

4122 atoms, 4154 bonds, 250 residues, 2 models selected  

> select #30/A:6-2244 #32/A:6-2244

65574 atoms, 66248 bonds, 18 pseudobonds, 4040 residues, 4 models selected  
10 [ID: 10] region 2 chains [1-2020] RMSD: 0.000  
  

> hide sel atoms

> select #29/A:1451 #31/A:1451

34 atoms, 32 bonds, 2 residues, 2 models selected  

> select #29/A:1419-1451 #31/A:1419-1451

872 atoms, 880 bonds, 2 pseudobonds, 54 residues, 4 models selected  
5 [ID: 5] region 2 chains [1207-1233] RMSD: 0.000  
  

> select #29/A:1451 #31/A:1451

34 atoms, 32 bonds, 2 residues, 2 models selected  

> select #29/A:1451 #31/A:1451

34 atoms, 32 bonds, 2 residues, 2 models selected  
5 [ID: 5] region 2 chains [1233] RMSD: 0.000  
  

> hide #!29 models

> hide #!31 models

> ui mousemode right select

> select #32/?:0@@serial_number=41526

1 atom, 1 residue, 1 model selected  

> open ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/NIV L
> Elongation 88309 Bound Triangle Matcher.pdb""

Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/NIV L Elongation 88309 Bound Triangle Matcher.pdb  
---  
warnings | Ignored bad PDB record found on line 204  
HELIX 1 1 PRO C 480 PHE C 484 1 Generated by MOE 5  
  
Ignored bad PDB record found on line 205  
HELIX 2 2 PRO C 490 LEU C 503 1 Generated by MOE 14  
  
Ignored bad PDB record found on line 206  
HELIX 3 3 LEU C 508 VAL C 540 1 Generated by MOE 33  
  
Ignored bad PDB record found on line 207  
HELIX 4 4 ILE C 543 SER C 573 1 Generated by MOE 31  
  
Ignored bad PDB record found on line 208  
HELIX 5 5 PRO D 480 PHE D 484 1 Generated by MOE 5  
  
169 messages similar to the above omitted  
  
Chain information for NIV L Elongation 88309 Bound Triangle Matcher.pdb #33  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
G | No description available  
  

> open ""/Users/michael/Desktop/MOE Files/88309 and 88310 Docking/NIV L
> Elongation 88310 Bound Triangle Matcher.pdb""

Summary of feedback from opening /Users/michael/Desktop/MOE Files/88309 and
88310 Docking/NIV L Elongation 88310 Bound Triangle Matcher.pdb  
---  
warnings | Ignored bad PDB record found on line 204  
HELIX 1 1 PRO C 480 PHE C 484 1 Generated by MOE 5  
  
Ignored bad PDB record found on line 205  
HELIX 2 2 PRO C 490 LEU C 503 1 Generated by MOE 14  
  
Ignored bad PDB record found on line 206  
HELIX 3 3 LEU C 508 VAL C 540 1 Generated by MOE 33  
  
Ignored bad PDB record found on line 207  
HELIX 4 4 ILE C 543 SER C 573 1 Generated by MOE 31  
  
Ignored bad PDB record found on line 208  
HELIX 5 5 PRO D 480 PHE D 484 1 Generated by MOE 5  
  
169 messages similar to the above omitted  
  
Chain information for NIV L Elongation 88310 Bound Triangle Matcher.pdb #34  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
G | No description available  
  

> show #!31 models

> hide #!31 models

> show #!31 models

> hide #!31 models

> style sel stick

Changed 0 atom styles  

> show sel cartoons

> style sel stick

Changed 0 atom styles  

> style sel stick

Changed 0 atom styles  

> style sel stick

Changed 0 atom styles  

> style sel stick

Changed 0 atom styles  
Drag select of 83856 atoms, 5080 residues, 30 pseudobonds, 928 bonds  

> style sel stick

Changed 166094 atom styles  

> show sel cartoons

Computing secondary structure  

> select clear

> color #33 #73fa79ff

> color #34 #73fcd6ff

> select clear

> select #33/A:2179@OE2

1 atom, 1 residue, 1 model selected  

> select clear

Drag select of 17702 atoms, 3380 residues, 8 pseudobonds, 16472 bonds  

> select clear

> select #30/D:554

12 atoms, 11 bonds, 1 residue, 1 model selected  

> select clear

> ui tool show ""Show Sequence Viewer""

> sequence chain #33/A #34/A

Alignment identifier is 11  

> select #33/A:6 #34/A:6

24 atoms, 22 bonds, 2 residues, 2 models selected  

> select #33/A:6-2244 #34/A:6-2244

65548 atoms, 66222 bonds, 18 pseudobonds, 4040 residues, 4 models selected  
11 [ID: 11] region 2 chains [1-2020] RMSD: 0.000  
  

> hide sel atoms

> select clear

> hide #!32 models

> hide #!30 models

> hide #!34 models

> show #!34 models

> hide #!33 models

> show #!33 models

> select #33/A:6-72 #34/A:6-72

2188 atoms, 2206 bonds, 134 residues, 2 models selected  

> select #33/A:6-2244 #34/A:6-2244

65548 atoms, 66222 bonds, 18 pseudobonds, 4040 residues, 4 models selected  
11 [ID: 11] region 2 chains [1-2020] RMSD: 0.000  
  

> hide sel cartoons

Drag select of 1510 atoms, 140 residues, 1390 bonds  

> hide sel atoms

> hide sel cartoons

Drag select of 4866 atoms, 470 residues, 2 pseudobonds, 4514 bonds  

> hide sel atoms

> hide sel cartoons

Drag select of 3284 atoms, 332 residues, 3034 bonds  

> hide sel cartoons

> hide sel atoms

Drag select of 794 atoms, 68 residues, 736 bonds  

> hide sel cartoons

> hide sel atoms

> show #!32 models

> hide #!33 models

> ui mousemode right translate

> surface (#!34 & sel)

> ui mousemode right select

> select clear

> surface #32,34

> hide #!32 models

> hide #!34 models

> show #!5 models

> ui mousemode right translate

> show #!5 surfaces

> lighting simple

> lighting soft

> lighting full

> lighting flat

> lighting shadows true intensity 0.5

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting full

> lighting simple

> lighting full

> ui mousemode right select


===== Log before crash end =====

Log:
UCSF ChimeraX version: 1.11.1 (2026-01-23)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 ATI-6.1.13
OpenGL renderer: AMD Radeon Pro 5300 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

Python: 3.11.9
Locale: UTF-8
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: iMac
      Model Identifier: iMac20,1
      Processor Name: 6-Core Intel Core i5
      Processor Speed: 3.3 GHz
      Number of Processors: 1
      Total Number of Cores: 6
      L2 Cache (per Core): 256 KB
      L3 Cache: 12 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 2069.0.0.0.0 (iBridge: 22.16.10353.0.0,0)
      OS Loader Version: 582~1023

Software:

    System Software Overview:

      System Version: macOS 15.0 (24A335)
      Kernel Version: Darwin 24.0.0
      Time since boot: 5 days, 23 hours, 55 minutes

Graphics/Displays:

    AMD Radeon Pro 5300:

      Chipset Model: AMD Radeon Pro 5300
      Type: GPU
      Bus: PCIe
      PCIe Lane Width: x16
      VRAM (Total): 4 GB
      Vendor: AMD (0x1002)
      Device ID: 0x7340
      Revision ID: 0x0047
      ROM Revision: 113-D3220I-231
      VBIOS Version: 113-D322A1XL-011
      Option ROM Version: 113-D322A1XL-011
      EFI Driver Version: 01.01.231
      Metal Support: Metal 3
      Displays:
        iMac:
          Display Type: Built-In Retina LCD
          Resolution: Retina 5K (5120 x 2880)
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: No
          Connection Type: Internal
        LEN D24f-10:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Adapter Type: DVI or HDMI
          Adapter Firmware Version: ff.c1


Installed Packages:
    aiohappyeyeballs: 2.6.1
    aiohttp: 3.13.1
    aiosignal: 1.4.0
    alabaster: 1.0.0
    annotated-types: 0.7.0
    anyio: 4.12.1
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.1
    attrs: 25.4.0
    babel: 2.17.0
    beautifulsoup4: 4.13.5
    blockdiag: 3.0.0
    blosc2: 3.12.2
    build: 1.3.0
    certifi: 2025.7.14
    cftime: 1.6.5
    charset-normalizer: 3.4.4
    ChimeraX-AddCharge: 1.5.20
    ChimeraX-AddH: 2.2.8
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.6.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 3.1.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Animations: 1.0
    ChimeraX-Aniso: 1.3.2
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.61.4
    ChimeraX-AtomicLibrary: 14.2.1
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.3
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-Boltz: 1.1
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.2
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.6.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.5
    ChimeraX-ChemGroup: 2.0.2
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.8
    ChimeraX-CommandLine: 1.3.0
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.11.1
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.5
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.4
    ChimeraX-Dicom: 1.2.7
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.4
    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: 1.4.1
    ChimeraX-Hbonds: 2.5.3
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.4
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.7.3
    ChimeraX-Label: 1.2
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.2
    ChimeraX-Map: 1.3
    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: 2.2.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MCPServer: 0.1.0
    ChimeraX-MDcrds: 2.17.2
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-Minimize: 1.3.2
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.16
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.22
    ChimeraX-ModelPanel: 1.6
    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: 1.0.1
    ChimeraX-MutationScores: 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: 1.15.2
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.12
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.5
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.4
    ChimeraX-ProfileGrids: 1.4.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.5
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.3
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.2
    ChimeraX-Scenes: 0.3.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.3
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.10
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.17.3
    ChimeraX-Shape: 1.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.1
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-SimilarStructures: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.19.1
    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: 2.5.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.3
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.49.1
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDock: 1.5.2
    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: 1.1.5
    ChimeraX-Zone: 1.0.1
    click: 8.3.1
    colorama: 0.4.6
    comm: 0.2.3
    contourpy: 1.3.3
    coverage: 7.13.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.1.4
    debugpy: 1.8.19
    decorator: 5.2.1
    docutils: 0.21.2
    executing: 2.2.1
    filelock: 3.19.1
    fonttools: 4.61.1
    frozenlist: 1.8.0
    funcparserlib: 2.0.0a0
    glfw: 2.10.0
    grako: 3.16.5
    h11: 0.16.0
    h5py: 3.15.1
    html2text: 2025.4.15
    httpcore: 1.0.9
    httpx: 0.28.1
    httpx-sse: 0.4.3
    idna: 3.11
    ihm: 2.2
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    iniconfig: 2.3.0
    ipykernel: 6.30.1
    ipython: 9.5.0
    ipython_pygments_lexers: 1.1.1
    ipywidgets: 8.1.8
    jedi: 0.19.2
    Jinja2: 3.1.6
    jsonschema: 4.26.0
    jsonschema-specifications: 2025.9.1
    jupyter_client: 8.6.3
    jupyter_core: 5.9.1
    jupyterlab_widgets: 3.0.16
    kiwisolver: 1.4.9
    line_profiler: 5.0.0
    lxml: 6.0.2
    lz4: 4.3.2
    Markdown: 3.8.2
    MarkupSafe: 3.0.3
    matplotlib: 3.10.7
    matplotlib-inline: 0.2.1
    mcp: 1.18.0
    msgpack: 1.1.1
    multidict: 6.7.0
    narwhals: 2.17.0
    ndindex: 1.10.1
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.14.1
    numpy: 2.4.2
    numpy: 1.26.4
    OpenMM: 8.2.0
    openvr: 1.26.701
    packaging: 25.0
    ParmEd: 4.2.2
    parso: 0.8.5
    pep517: 0.13.1
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 11.3.0
    pip: 25.2
    pkginfo: 1.12.1.2
    platformdirs: 4.5.1
    plotly: 6.5.2
    pluggy: 1.6.0
    prompt_toolkit: 3.0.52
    propcache: 0.4.1
    psutil: 7.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pybind11: 3.0.1
    pycollada: 0.8
    pydantic: 2.12.5
    pydantic-settings: 2.12.0
    pydantic_core: 2.41.5
    pydicom: 2.4.4
    Pygments: 2.18.0
    pyKVFinder: 0.9.0
    pynmrstar: 3.3.6
    pynrrd: 1.0.0
    PyOpenGL: 3.1.10
    PyOpenGL-accelerate: 3.1.10
    pyopenxr: 1.1.4501
    pyparsing: 3.3.2
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.9.1
    PyQt6-Qt6: 6.9.2
    PyQt6-WebEngine-commercial: 6.9.0
    PyQt6-WebEngine-Qt6: 6.9.2
    PyQt6_sip: 13.10.2
    pytest: 9.0.2
    pytest-cov: 7.0.0
    python-dateutil: 2.9.0.post0
    python-dotenv: 1.2.1
    python-multipart: 0.0.21
    pyzmq: 27.1.0
    qtconsole: 5.7.0
    QtPy: 2.4.3
    qtshim: 1.2
    RandomWords: 0.4.0
    referencing: 0.37.0
    requests: 2.32.5
    roman-numerals: 4.1.0
    roman-numerals-py: 4.1.0
    rpds-py: 0.30.0
    scipy: 1.14.0
    setuptools: 80.9.0
    sfftk-rw: 0.8.1
    six: 1.17.0
    snowballstemmer: 3.0.1
    sortedcontainers: 2.4.0
    soupsieve: 2.8.3
    Sphinx: 8.2.3
    sphinx-autodoc-typehints: 3.2.0
    sphinxcontrib-applehelp: 2.0.0
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 2.0.0
    sphinxcontrib-htmlhelp: 2.1.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 2.0.0
    sphinxcontrib-serializinghtml: 2.0.0
    sse-starlette: 3.2.0
    stack-data: 0.6.3
    starlette: 0.52.1
    superqt: 0.7.6
    tables: 3.10.2
    tcia_utils: 1.5.1
    tifffile: 2025.3.13
    tinyarray: 1.2.5
    tomlkit: 0.14.0
    tornado: 6.5.4
    traitlets: 5.14.3
    typing-inspection: 0.4.2
    typing_extensions: 4.15.0
    urllib3: 2.6.3
    uvicorn: 0.40.0
    wcwidth: 0.3.2
    webcolors: 24.11.1
    wheel: 0.45.1
    wheel-filename: 1.4.2
    widgetsnbextension: 4.0.15
    yarl: 1.22.0
}}}
"	defect	closed	normal		Window Toolkit		duplicate						all	ChimeraX
