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Opened 6 hours ago
#20762 new defect
ChimeraX bug report submission
| Reported by: | Owned by: | ||
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Unassigned | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | ||
| Project: |
Description
The following bug report has been submitted:
Platform: Windows-10-10.0.22631
ChimeraX Version: 1.12 (2026-06-12 03:42:34 UTC)
Description
Replace this text with list of actions that caused this problem to occur
Log:
UCSF ChimeraX version: 1.12 (2026-06-12)
© 2016-2026 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open "C:/Users/gwshi/Downloads/6OF8 (1).pdb"
6OF8 (1).pdb title:
Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and
PHE467MET mutant human camkii-α hub domain [more info...]
Chain information for 6OF8 (1).pdb #1
---
Chain | Description | UniProt
A B C D E F G | CAMK-II subunit α | KCC2A_HUMAN 345-475
Non-standard residues in 6OF8 (1).pdb #1
---
GOL — glycerol (glycerin; propane-1,2,3-triol)
K — potassium ion
> ui tool show Rotamers
> select /A:403
14 atoms, 15 bonds, 1 residue, 1 model selected
> ui tool show Rotamers
> swapaa interactive sel PHE rotLib Dynameomics
/A TRP 403: phi -113.7, psi 110.8 trans
Changed 54 bond radii
> hbonds #!1 & ~#!1/A:403 & ~solvent reveal true restrict #1.3 & ~@c,ca,n
0 hydrogen bonds found
No rotamers selected
[Repeated 1 time(s)]
> info residues
residue id #!1/F:346 name ARG index 5
residue id #!1/F:347 name LYS index 6
residue id #!1/F:348 name GLN index 7
residue id #!1/F:349 name GLU index 8
residue id #!1/F:350 name ILE index 9
residue id #!1/F:351 name ILE index 10
residue id #!1/F:352 name LYS index 11
residue id #!1/F:353 name VAL index 12
residue id #!1/F:354 name ASN index 13
residue id #!1/F:355 name GLN index 14
residue id #!1/F:356 name GLN index 15
residue id #!1/F:357 name LEU index 16
residue id #!1/F:358 name ILE index 17
residue id #!1/F:359 name GLU index 18
residue id #!1/F:360 name ALA index 19
residue id #!1/F:361 name ILE index 20
residue id #!1/F:362 name SER index 21
residue id #!1/F:363 name ASN index 22
residue id #!1/F:364 name GLY index 23
residue id #!1/F:365 name ASP index 24
residue id #!1/F:366 name PHE index 25
residue id #!1/F:367 name GLU index 26
residue id #!1/F:368 name SER index 27
residue id #!1/F:369 name TYR index 28
residue id #!1/F:370 name THR index 29
residue id #!1/F:371 name LYS index 30
residue id #!1/F:372 name MET index 31
residue id #!1/F:373 name CYS index 32
residue id #!1/F:374 name ASP index 33
residue id #!1/F:375 name PRO index 34
residue id #!1/F:376 name GLY index 35
residue id #!1/F:377 name MET index 36
residue id #!1/F:378 name THR index 37
residue id #!1/F:379 name ALA index 38
residue id #!1/F:380 name PHE index 39
residue id #!1/F:381 name GLU index 40
residue id #!1/F:382 name PRO index 41
residue id #!1/F:383 name GLU index 42
residue id #!1/F:384 name ALA index 43
residue id #!1/F:385 name LEU index 44
residue id #!1/F:386 name GLY index 45
residue id #!1/F:387 name ASN index 46
residue id #!1/F:388 name LEU index 47
residue id #!1/F:389 name VAL index 48
residue id #!1/F:390 name GLU index 49
residue id #!1/F:391 name GLY index 50
residue id #!1/F:392 name LEU index 51
residue id #!1/F:393 name ASP index 52
residue id #!1/F:394 name PHE index 53
residue id #!1/F:395 name HIS index 54
residue id #!1/F:396 name ARG index 55
residue id #!1/F:397 name PHE index 56
residue id #!1/F:398 name TYR index 57
residue id #!1/F:399 name PHE index 58
residue id #!1/F:400 name GLU index 59
residue id #!1/F:401 name ASN index 60
residue id #!1/F:402 name LEU index 61
residue id #!1/F:403 name TRP index 62
residue id #!1/F:404 name SER index 63
residue id #!1/F:405 name ARG index 64
residue id #!1/F:406 name ASN index 65
residue id #!1/F:407 name SER index 66
residue id #!1/F:408 name LYS index 67
residue id #!1/F:409 name PRO index 68
residue id #!1/F:410 name VAL index 69
residue id #!1/F:411 name HIS index 70
residue id #!1/F:412 name ASN index 71
residue id #!1/F:413 name THR index 72
residue id #!1/F:414 name MET index 73
residue id #!1/F:415 name LEU index 74
residue id #!1/F:416 name ASN index 75
residue id #!1/F:417 name PRO index 76
residue id #!1/F:418 name HIS index 77
residue id #!1/F:419 name ILE index 78
residue id #!1/F:420 name HIS index 79
residue id #!1/F:421 name LEU index 80
residue id #!1/F:422 name MET index 81
residue id #!1/F:423 name GLY index 82
residue id #!1/F:424 name ASP index 83
residue id #!1/F:425 name GLU index 84
residue id #!1/F:426 name SER index 85
residue id #!1/F:427 name ALA index 86
residue id #!1/F:428 name CYS index 87
residue id #!1/F:429 name ILE index 88
residue id #!1/F:430 name ALA index 89
residue id #!1/F:431 name TYR index 90
residue id #!1/F:432 name ILE index 91
residue id #!1/F:433 name ARG index 92
residue id #!1/F:434 name ILE index 93
residue id #!1/F:435 name THR index 94
residue id #!1/F:436 name GLN index 95
residue id #!1/F:437 name TYR index 96
residue id #!1/F:438 name LEU index 97
residue id #!1/F:439 name ASP index 98
residue id #!1/F:440 name ALA index 99
residue id #!1/F:441 name GLY index 100
residue id #!1/F:442 name GLY index 101
residue id #!1/F:443 name ILE index 102
residue id #!1/F:444 name PRO index 103
residue id #!1/F:445 name ARG index 104
residue id #!1/F:446 name THR index 105
residue id #!1/F:447 name ALA index 106
residue id #!1/F:448 name GLN index 107
residue id #!1/F:449 name SER index 108
residue id #!1/F:450 name GLU index 109
residue id #!1/F:451 name GLU index 110
residue id #!1/F:452 name THR index 111
residue id #!1/F:453 name ARG index 112
residue id #!1/F:454 name VAL index 113
residue id #!1/F:455 name TRP index 114
residue id #!1/F:456 name HIS index 115
residue id #!1/F:457 name ARG index 116
residue id #!1/F:458 name ARG index 117
residue id #!1/F:459 name ASP index 118
residue id #!1/F:460 name GLY index 119
residue id #!1/F:461 name LYS index 120
residue id #!1/F:462 name TRP index 121
residue id #!1/F:463 name GLN index 122
residue id #!1/F:464 name HIS index 123
residue id #!1/F:465 name VAL index 124
residue id #!1/F:466 name HIS index 125
residue id #!1/F:467 name MET index 126
residue id #!1/F:468 name HIS index 127
residue id #!1/F:469 name ARG index 128
residue id #!1/F:470 name SER index 129
residue id #!1/F:471 name GLY index 130
residue id #!1/F:472 name ALA index 131
residue id #!1/F:473 name PRO index 132
residue id #!1/B:343 name HIS index 2
residue id #!1/B:344 name MET index 3
residue id #!1/B:345 name VAL index 4
residue id #!1/B:346 name ARG index 5
residue id #!1/B:347 name LYS index 6
residue id #!1/B:348 name GLN index 7
residue id #!1/B:349 name GLU index 8
residue id #!1/B:350 name ILE index 9
residue id #!1/B:351 name ILE index 10
residue id #!1/B:352 name LYS index 11
residue id #!1/B:353 name VAL index 12
residue id #!1/B:354 name ASN index 13
residue id #!1/B:355 name GLN index 14
residue id #!1/B:356 name GLN index 15
residue id #!1/B:357 name LEU index 16
residue id #!1/B:358 name ILE index 17
residue id #!1/B:359 name GLU index 18
residue id #!1/B:360 name ALA index 19
residue id #!1/B:361 name ILE index 20
residue id #!1/B:362 name SER index 21
residue id #!1/B:363 name ASN index 22
residue id #!1/B:364 name GLY index 23
residue id #!1/B:365 name ASP index 24
residue id #!1/B:366 name PHE index 25
residue id #!1/B:367 name GLU index 26
residue id #!1/B:368 name SER index 27
residue id #!1/B:369 name TYR index 28
residue id #!1/B:370 name THR index 29
residue id #!1/B:371 name LYS index 30
residue id #!1/B:372 name MET index 31
residue id #!1/B:373 name CYS index 32
residue id #!1/B:374 name ASP index 33
residue id #!1/B:375 name PRO index 34
residue id #!1/B:376 name GLY index 35
residue id #!1/B:377 name MET index 36
residue id #!1/B:378 name THR index 37
residue id #!1/B:379 name ALA index 38
residue id #!1/B:380 name PHE index 39
residue id #!1/B:381 name GLU index 40
residue id #!1/B:382 name PRO index 41
residue id #!1/B:383 name GLU index 42
residue id #!1/B:384 name ALA index 43
residue id #!1/B:385 name LEU index 44
residue id #!1/B:386 name GLY index 45
residue id #!1/B:387 name ASN index 46
residue id #!1/B:388 name LEU index 47
residue id #!1/B:389 name VAL index 48
residue id #!1/B:390 name GLU index 49
residue id #!1/B:391 name GLY index 50
residue id #!1/B:392 name LEU index 51
residue id #!1/B:393 name ASP index 52
residue id #!1/B:394 name PHE index 53
residue id #!1/B:395 name HIS index 54
residue id #!1/B:396 name ARG index 55
residue id #!1/B:397 name PHE index 56
residue id #!1/B:398 name TYR index 57
residue id #!1/B:399 name PHE index 58
residue id #!1/B:400 name GLU index 59
residue id #!1/B:401 name ASN index 60
residue id #!1/B:402 name LEU index 61
residue id #!1/B:403 name TRP index 62
residue id #!1/B:404 name SER index 63
residue id #!1/B:405 name ARG index 64
residue id #!1/B:406 name ASN index 65
residue id #!1/B:407 name SER index 66
residue id #!1/B:408 name LYS index 67
residue id #!1/B:409 name PRO index 68
residue id #!1/B:410 name VAL index 69
residue id #!1/B:411 name HIS index 70
residue id #!1/B:412 name ASN index 71
residue id #!1/B:413 name THR index 72
residue id #!1/B:414 name MET index 73
residue id #!1/B:415 name LEU index 74
residue id #!1/B:416 name ASN index 75
residue id #!1/B:417 name PRO index 76
residue id #!1/B:418 name HIS index 77
residue id #!1/B:419 name ILE index 78
residue id #!1/B:420 name HIS index 79
residue id #!1/B:421 name LEU index 80
residue id #!1/B:422 name MET index 81
residue id #!1/B:423 name GLY index 82
residue id #!1/B:424 name ASP index 83
residue id #!1/B:425 name GLU index 84
residue id #!1/B:426 name SER index 85
residue id #!1/B:427 name ALA index 86
residue id #!1/B:428 name CYS index 87
residue id #!1/B:429 name ILE index 88
residue id #!1/B:430 name ALA index 89
residue id #!1/B:431 name TYR index 90
residue id #!1/B:432 name ILE index 91
residue id #!1/B:433 name ARG index 92
residue id #!1/B:434 name ILE index 93
residue id #!1/B:435 name THR index 94
residue id #!1/B:436 name GLN index 95
residue id #!1/B:437 name TYR index 96
residue id #!1/B:438 name LEU index 97
residue id #!1/B:439 name ASP index 98
residue id #!1/B:440 name ALA index 99
residue id #!1/B:441 name GLY index 100
residue id #!1/B:442 name GLY index 101
residue id #!1/B:443 name ILE index 102
residue id #!1/B:444 name PRO index 103
residue id #!1/B:445 name ARG index 104
residue id #!1/B:446 name THR index 105
residue id #!1/B:447 name ALA index 106
residue id #!1/B:448 name GLN index 107
residue id #!1/B:449 name SER index 108
residue id #!1/B:450 name GLU index 109
residue id #!1/B:451 name GLU index 110
residue id #!1/B:452 name THR index 111
residue id #!1/B:453 name ARG index 112
residue id #!1/B:454 name VAL index 113
residue id #!1/B:455 name TRP index 114
residue id #!1/B:456 name HIS index 115
residue id #!1/B:457 name ARG index 116
residue id #!1/B:458 name ARG index 117
residue id #!1/B:459 name ASP index 118
residue id #!1/B:460 name GLY index 119
residue id #!1/B:461 name LYS index 120
residue id #!1/B:462 name TRP index 121
residue id #!1/B:463 name GLN index 122
residue id #!1/B:464 name HIS index 123
residue id #!1/B:465 name VAL index 124
residue id #!1/B:466 name HIS index 125
residue id #!1/B:467 name MET index 126
residue id #!1/B:468 name HIS index 127
residue id #!1/B:469 name ARG index 128
residue id #!1/B:470 name SER index 129
residue id #!1/B:471 name GLY index 130
residue id #!1/B:472 name ALA index 131
residue id #!1/C:343 name HIS index 2
residue id #!1/C:344 name MET index 3
residue id #!1/C:345 name VAL index 4
residue id #!1/C:346 name ARG index 5
residue id #!1/C:347 name LYS index 6
residue id #!1/C:348 name GLN index 7
residue id #!1/C:349 name GLU index 8
residue id #!1/C:350 name ILE index 9
residue id #!1/C:351 name ILE index 10
residue id #!1/C:352 name LYS index 11
residue id #!1/C:353 name VAL index 12
residue id #!1/C:354 name ASN index 13
residue id #!1/C:355 name GLN index 14
residue id #!1/C:356 name GLN index 15
residue id #!1/C:357 name LEU index 16
residue id #!1/C:358 name ILE index 17
residue id #!1/C:359 name GLU index 18
residue id #!1/C:360 name ALA index 19
residue id #!1/C:361 name ILE index 20
residue id #!1/C:362 name SER index 21
residue id #!1/C:363 name ASN index 22
residue id #!1/C:364 name GLY index 23
residue id #!1/C:365 name ASP index 24
residue id #!1/C:366 name PHE index 25
residue id #!1/C:367 name GLU index 26
residue id #!1/C:368 name SER index 27
residue id #!1/C:369 name TYR index 28
residue id #!1/C:370 name THR index 29
residue id #!1/C:371 name LYS index 30
residue id #!1/C:372 name MET index 31
residue id #!1/C:373 name CYS index 32
residue id #!1/C:374 name ASP index 33
residue id #!1/C:375 name PRO index 34
residue id #!1/C:376 name GLY index 35
residue id #!1/C:377 name MET index 36
residue id #!1/C:378 name THR index 37
residue id #!1/C:379 name ALA index 38
residue id #!1/C:380 name PHE index 39
residue id #!1/C:381 name GLU index 40
residue id #!1/C:382 name PRO index 41
residue id #!1/C:383 name GLU index 42
residue id #!1/C:384 name ALA index 43
residue id #!1/C:385 name LEU index 44
residue id #!1/C:386 name GLY index 45
residue id #!1/C:387 name ASN index 46
residue id #!1/C:388 name LEU index 47
residue id #!1/C:389 name VAL index 48
residue id #!1/C:390 name GLU index 49
residue id #!1/C:391 name GLY index 50
residue id #!1/C:392 name LEU index 51
residue id #!1/C:393 name ASP index 52
residue id #!1/C:394 name PHE index 53
residue id #!1/C:395 name HIS index 54
residue id #!1/C:396 name ARG index 55
residue id #!1/C:397 name PHE index 56
residue id #!1/C:398 name TYR index 57
residue id #!1/C:399 name PHE index 58
residue id #!1/C:400 name GLU index 59
residue id #!1/C:401 name ASN index 60
residue id #!1/C:402 name LEU index 61
residue id #!1/C:403 name TRP index 62
residue id #!1/C:404 name SER index 63
residue id #!1/C:405 name ARG index 64
residue id #!1/C:406 name ASN index 65
residue id #!1/C:407 name SER index 66
residue id #!1/C:408 name LYS index 67
residue id #!1/C:409 name PRO index 68
residue id #!1/C:410 name VAL index 69
residue id #!1/C:411 name HIS index 70
residue id #!1/C:412 name ASN index 71
residue id #!1/C:413 name THR index 72
residue id #!1/C:414 name MET index 73
residue id #!1/C:415 name LEU index 74
residue id #!1/C:416 name ASN index 75
residue id #!1/C:417 name PRO index 76
residue id #!1/C:418 name HIS index 77
residue id #!1/C:419 name ILE index 78
residue id #!1/C:420 name HIS index 79
residue id #!1/C:421 name LEU index 80
residue id #!1/C:422 name MET index 81
residue id #!1/C:423 name GLY index 82
residue id #!1/C:424 name ASP index 83
residue id #!1/C:425 name GLU index 84
residue id #!1/C:426 name SER index 85
residue id #!1/C:427 name ALA index 86
residue id #!1/C:428 name CYS index 87
residue id #!1/C:429 name ILE index 88
residue id #!1/C:430 name ALA index 89
residue id #!1/C:431 name TYR index 90
residue id #!1/C:432 name ILE index 91
residue id #!1/C:433 name ARG index 92
residue id #!1/C:434 name ILE index 93
residue id #!1/C:435 name THR index 94
residue id #!1/C:436 name GLN index 95
residue id #!1/C:437 name TYR index 96
residue id #!1/C:438 name LEU index 97
residue id #!1/C:439 name ASP index 98
residue id #!1/C:440 name ALA index 99
residue id #!1/C:441 name GLY index 100
residue id #!1/C:442 name GLY index 101
residue id #!1/C:443 name ILE index 102
residue id #!1/C:444 name PRO index 103
residue id #!1/C:445 name ARG index 104
residue id #!1/C:446 name THR index 105
residue id #!1/C:447 name ALA index 106
residue id #!1/C:448 name GLN index 107
residue id #!1/C:449 name SER index 108
residue id #!1/C:450 name GLU index 109
residue id #!1/C:451 name GLU index 110
residue id #!1/C:452 name THR index 111
residue id #!1/C:453 name ARG index 112
residue id #!1/C:454 name VAL index 113
residue id #!1/C:455 name TRP index 114
residue id #!1/C:456 name HIS index 115
residue id #!1/C:457 name ARG index 116
residue id #!1/C:458 name ARG index 117
residue id #!1/C:459 name ASP index 118
residue id #!1/C:460 name GLY index 119
residue id #!1/C:461 name LYS index 120
residue id #!1/C:462 name TRP index 121
residue id #!1/C:463 name GLN index 122
residue id #!1/C:464 name HIS index 123
residue id #!1/C:465 name VAL index 124
residue id #!1/C:466 name HIS index 125
residue id #!1/C:467 name MET index 126
residue id #!1/C:468 name HIS index 127
residue id #!1/C:469 name ARG index 128
residue id #!1/C:470 name SER index 129
residue id #!1/C:471 name GLY index 130
residue id #!1/C:472 name ALA index 131
residue id #!1/G:343 name HIS index 2
residue id #!1/G:344 name MET index 3
residue id #!1/G:345 name VAL index 4
residue id #!1/G:346 name ARG index 5
residue id #!1/G:347 name LYS index 6
residue id #!1/G:348 name GLN index 7
residue id #!1/G:349 name GLU index 8
residue id #!1/G:350 name ILE index 9
residue id #!1/G:351 name ILE index 10
residue id #!1/G:352 name LYS index 11
residue id #!1/G:353 name VAL index 12
residue id #!1/G:354 name ASN index 13
residue id #!1/G:355 name GLN index 14
residue id #!1/G:356 name GLN index 15
residue id #!1/G:357 name LEU index 16
residue id #!1/G:358 name ILE index 17
residue id #!1/G:359 name GLU index 18
residue id #!1/G:360 name ALA index 19
residue id #!1/G:361 name ILE index 20
residue id #!1/G:362 name SER index 21
residue id #!1/G:363 name ASN index 22
residue id #!1/G:364 name GLY index 23
residue id #!1/G:365 name ASP index 24
residue id #!1/G:366 name PHE index 25
residue id #!1/G:367 name GLU index 26
residue id #!1/G:368 name SER index 27
residue id #!1/G:369 name TYR index 28
residue id #!1/G:370 name THR index 29
residue id #!1/G:371 name LYS index 30
residue id #!1/G:372 name MET index 31
residue id #!1/G:373 name CYS index 32
residue id #!1/G:374 name ASP index 33
residue id #!1/G:375 name PRO index 34
residue id #!1/G:376 name GLY index 35
residue id #!1/G:377 name MET index 36
residue id #!1/G:378 name THR index 37
residue id #!1/G:379 name ALA index 38
residue id #!1/G:380 name PHE index 39
residue id #!1/G:381 name GLU index 40
residue id #!1/G:382 name PRO index 41
residue id #!1/G:383 name GLU index 42
residue id #!1/G:384 name ALA index 43
residue id #!1/G:385 name LEU index 44
residue id #!1/G:386 name GLY index 45
residue id #!1/G:387 name ASN index 46
residue id #!1/G:388 name LEU index 47
residue id #!1/G:389 name VAL index 48
residue id #!1/G:390 name GLU index 49
residue id #!1/G:391 name GLY index 50
residue id #!1/G:392 name LEU index 51
residue id #!1/G:393 name ASP index 52
residue id #!1/G:394 name PHE index 53
residue id #!1/G:395 name HIS index 54
residue id #!1/G:396 name ARG index 55
residue id #!1/G:397 name PHE index 56
residue id #!1/G:398 name TYR index 57
residue id #!1/G:399 name PHE index 58
residue id #!1/G:400 name GLU index 59
residue id #!1/G:401 name ASN index 60
residue id #!1/G:402 name LEU index 61
residue id #!1/G:403 name TRP index 62
residue id #!1/G:409 name PRO index 68
residue id #!1/G:410 name VAL index 69
residue id #!1/G:411 name HIS index 70
residue id #!1/G:412 name ASN index 71
residue id #!1/G:413 name THR index 72
residue id #!1/G:414 name MET index 73
residue id #!1/G:415 name LEU index 74
residue id #!1/G:416 name ASN index 75
residue id #!1/G:417 name PRO index 76
residue id #!1/G:418 name HIS index 77
residue id #!1/G:419 name ILE index 78
residue id #!1/G:420 name HIS index 79
residue id #!1/G:421 name LEU index 80
residue id #!1/G:422 name MET index 81
residue id #!1/G:423 name GLY index 82
residue id #!1/G:424 name ASP index 83
residue id #!1/G:425 name GLU index 84
residue id #!1/G:426 name SER index 85
residue id #!1/G:427 name ALA index 86
residue id #!1/G:428 name CYS index 87
residue id #!1/G:429 name ILE index 88
residue id #!1/G:430 name ALA index 89
residue id #!1/G:431 name TYR index 90
residue id #!1/G:432 name ILE index 91
residue id #!1/G:433 name ARG index 92
residue id #!1/G:434 name ILE index 93
residue id #!1/G:435 name THR index 94
residue id #!1/G:436 name GLN index 95
residue id #!1/G:437 name TYR index 96
residue id #!1/G:438 name LEU index 97
residue id #!1/G:439 name ASP index 98
residue id #!1/G:440 name ALA index 99
residue id #!1/G:441 name GLY index 100
residue id #!1/G:442 name GLY index 101
residue id #!1/G:443 name ILE index 102
residue id #!1/G:444 name PRO index 103
residue id #!1/G:445 name ARG index 104
residue id #!1/G:446 name THR index 105
residue id #!1/G:447 name ALA index 106
residue id #!1/G:448 name GLN index 107
residue id #!1/G:449 name SER index 108
residue id #!1/G:450 name GLU index 109
residue id #!1/G:451 name GLU index 110
residue id #!1/G:452 name THR index 111
residue id #!1/G:453 name ARG index 112
residue id #!1/G:454 name VAL index 113
residue id #!1/G:455 name TRP index 114
residue id #!1/G:456 name HIS index 115
residue id #!1/G:457 name ARG index 116
residue id #!1/G:458 name ARG index 117
residue id #!1/G:459 name ASP index 118
residue id #!1/G:460 name GLY index 119
residue id #!1/G:461 name LYS index 120
residue id #!1/G:462 name TRP index 121
residue id #!1/G:463 name GLN index 122
residue id #!1/G:464 name HIS index 123
residue id #!1/G:465 name VAL index 124
residue id #!1/G:466 name HIS index 125
residue id #!1/G:467 name MET index 126
residue id #!1/G:468 name HIS index 127
residue id #!1/G:469 name ARG index 128
residue id #!1/G:470 name SER index 129
residue id #!1/G:471 name GLY index 130
residue id #!1/G:472 name ALA index 131
residue id #!1/E:346 name ARG index 5
residue id #!1/E:347 name LYS index 6
residue id #!1/E:348 name GLN index 7
residue id #!1/E:349 name GLU index 8
residue id #!1/E:350 name ILE index 9
residue id #!1/E:351 name ILE index 10
residue id #!1/E:352 name LYS index 11
residue id #!1/E:353 name VAL index 12
residue id #!1/E:354 name ASN index 13
residue id #!1/E:355 name GLN index 14
residue id #!1/E:356 name GLN index 15
residue id #!1/E:357 name LEU index 16
residue id #!1/E:358 name ILE index 17
residue id #!1/E:359 name GLU index 18
residue id #!1/E:360 name ALA index 19
residue id #!1/E:361 name ILE index 20
residue id #!1/E:362 name SER index 21
residue id #!1/E:363 name ASN index 22
residue id #!1/E:364 name GLY index 23
residue id #!1/E:365 name ASP index 24
residue id #!1/E:366 name PHE index 25
residue id #!1/E:367 name GLU index 26
residue id #!1/E:368 name SER index 27
residue id #!1/E:369 name TYR index 28
residue id #!1/E:370 name THR index 29
residue id #!1/E:371 name LYS index 30
residue id #!1/E:372 name MET index 31
residue id #!1/E:373 name CYS index 32
residue id #!1/E:374 name ASP index 33
residue id #!1/E:375 name PRO index 34
residue id #!1/E:376 name GLY index 35
residue id #!1/E:377 name MET index 36
residue id #!1/E:378 name THR index 37
residue id #!1/E:379 name ALA index 38
residue id #!1/E:380 name PHE index 39
residue id #!1/E:381 name GLU index 40
residue id #!1/E:382 name PRO index 41
residue id #!1/E:383 name GLU index 42
residue id #!1/E:384 name ALA index 43
residue id #!1/E:385 name LEU index 44
residue id #!1/E:386 name GLY index 45
residue id #!1/E:387 name ASN index 46
residue id #!1/E:388 name LEU index 47
residue id #!1/E:389 name VAL index 48
residue id #!1/E:390 name GLU index 49
residue id #!1/E:391 name GLY index 50
residue id #!1/E:392 name LEU index 51
residue id #!1/E:393 name ASP index 52
residue id #!1/E:394 name PHE index 53
residue id #!1/E:395 name HIS index 54
residue id #!1/E:396 name ARG index 55
residue id #!1/E:397 name PHE index 56
residue id #!1/E:398 name TYR index 57
residue id #!1/E:399 name PHE index 58
residue id #!1/E:400 name GLU index 59
residue id #!1/E:401 name ASN index 60
residue id #!1/E:402 name LEU index 61
residue id #!1/E:403 name TRP index 62
residue id #!1/E:404 name SER index 63
residue id #!1/E:405 name ARG index 64
residue id #!1/E:406 name ASN index 65
residue id #!1/E:407 name SER index 66
residue id #!1/E:408 name LYS index 67
residue id #!1/E:409 name PRO index 68
residue id #!1/E:410 name VAL index 69
residue id #!1/E:411 name HIS index 70
residue id #!1/E:412 name ASN index 71
residue id #!1/E:413 name THR index 72
residue id #!1/E:414 name MET index 73
residue id #!1/E:415 name LEU index 74
residue id #!1/E:416 name ASN index 75
residue id #!1/E:417 name PRO index 76
residue id #!1/E:418 name HIS index 77
residue id #!1/E:419 name ILE index 78
residue id #!1/E:420 name HIS index 79
residue id #!1/E:421 name LEU index 80
residue id #!1/E:422 name MET index 81
residue id #!1/E:423 name GLY index 82
residue id #!1/E:424 name ASP index 83
residue id #!1/E:425 name GLU index 84
residue id #!1/E:426 name SER index 85
residue id #!1/E:427 name ALA index 86
residue id #!1/E:428 name CYS index 87
residue id #!1/E:429 name ILE index 88
residue id #!1/E:430 name ALA index 89
residue id #!1/E:431 name TYR index 90
residue id #!1/E:432 name ILE index 91
residue id #!1/E:433 name ARG index 92
residue id #!1/E:434 name ILE index 93
residue id #!1/E:435 name THR index 94
residue id #!1/E:436 name GLN index 95
residue id #!1/E:437 name TYR index 96
residue id #!1/E:438 name LEU index 97
residue id #!1/E:439 name ASP index 98
residue id #!1/E:440 name ALA index 99
residue id #!1/E:441 name GLY index 100
residue id #!1/E:442 name GLY index 101
residue id #!1/E:443 name ILE index 102
residue id #!1/E:444 name PRO index 103
residue id #!1/E:445 name ARG index 104
residue id #!1/E:446 name THR index 105
residue id #!1/E:447 name ALA index 106
residue id #!1/E:448 name GLN index 107
residue id #!1/E:449 name SER index 108
residue id #!1/E:450 name GLU index 109
residue id #!1/E:451 name GLU index 110
residue id #!1/E:452 name THR index 111
residue id #!1/E:453 name ARG index 112
residue id #!1/E:454 name VAL index 113
residue id #!1/E:455 name TRP index 114
residue id #!1/E:456 name HIS index 115
residue id #!1/E:457 name ARG index 116
residue id #!1/E:458 name ARG index 117
residue id #!1/E:459 name ASP index 118
residue id #!1/E:460 name GLY index 119
residue id #!1/E:461 name LYS index 120
residue id #!1/E:462 name TRP index 121
residue id #!1/E:463 name GLN index 122
residue id #!1/E:464 name HIS index 123
residue id #!1/E:465 name VAL index 124
residue id #!1/E:466 name HIS index 125
residue id #!1/E:467 name MET index 126
residue id #!1/E:468 name HIS index 127
residue id #!1/E:469 name ARG index 128
residue id #!1/E:470 name SER index 129
residue id #!1/E:471 name GLY index 130
residue id #!1/E:472 name ALA index 131
residue id #!1/E:473 name PRO index 132
residue id #!1/E:474 name SER index 133
residue id #!1/E:475 name VAL index 134
residue id #!1/A:342 name PRO index 1
residue id #!1/A:343 name HIS index 2
residue id #!1/A:344 name MET index 3
residue id #!1/A:345 name VAL index 4
residue id #!1/A:346 name ARG index 5
residue id #!1/A:347 name LYS index 6
residue id #!1/A:348 name GLN index 7
residue id #!1/A:349 name GLU index 8
residue id #!1/A:350 name ILE index 9
residue id #!1/A:351 name ILE index 10
residue id #!1/A:352 name LYS index 11
residue id #!1/A:353 name VAL index 12
residue id #!1/A:354 name ASN index 13
residue id #!1/A:355 name GLN index 14
residue id #!1/A:356 name GLN index 15
residue id #!1/A:357 name LEU index 16
residue id #!1/A:358 name ILE index 17
residue id #!1/A:359 name GLU index 18
residue id #!1/A:360 name ALA index 19
residue id #!1/A:361 name ILE index 20
residue id #!1/A:362 name SER index 21
residue id #!1/A:363 name ASN index 22
residue id #!1/A:364 name GLY index 23
residue id #!1/A:365 name ASP index 24
residue id #!1/A:366 name PHE index 25
residue id #!1/A:367 name GLU index 26
residue id #!1/A:368 name SER index 27
residue id #!1/A:369 name TYR index 28
residue id #!1/A:370 name THR index 29
residue id #!1/A:371 name LYS index 30
residue id #!1/A:372 name MET index 31
residue id #!1/A:373 name CYS index 32
residue id #!1/A:374 name ASP index 33
residue id #!1/A:375 name PRO index 34
residue id #!1/A:376 name GLY index 35
residue id #!1/A:377 name MET index 36
residue id #!1/A:378 name THR index 37
residue id #!1/A:379 name ALA index 38
residue id #!1/A:380 name PHE index 39
residue id #!1/A:381 name GLU index 40
residue id #!1/A:382 name PRO index 41
residue id #!1/A:383 name GLU index 42
residue id #!1/A:384 name ALA index 43
residue id #!1/A:385 name LEU index 44
residue id #!1/A:386 name GLY index 45
residue id #!1/A:387 name ASN index 46
residue id #!1/A:388 name LEU index 47
residue id #!1/A:389 name VAL index 48
residue id #!1/A:390 name GLU index 49
residue id #!1/A:391 name GLY index 50
residue id #!1/A:392 name LEU index 51
residue id #!1/A:393 name ASP index 52
residue id #!1/A:394 name PHE index 53
residue id #!1/A:395 name HIS index 54
residue id #!1/A:396 name ARG index 55
residue id #!1/A:397 name PHE index 56
residue id #!1/A:398 name TYR index 57
residue id #!1/A:399 name PHE index 58
residue id #!1/A:400 name GLU index 59
residue id #!1/A:401 name ASN index 60
residue id #!1/A:402 name LEU index 61
residue id #!1/A:403 name TRP index 62
residue id #!1/A:404 name SER index 63
residue id #!1/A:405 name ARG index 64
residue id #!1/A:406 name ASN index 65
residue id #!1/A:407 name SER index 66
residue id #!1/A:408 name LYS index 67
residue id #!1/A:409 name PRO index 68
residue id #!1/A:410 name VAL index 69
residue id #!1/A:411 name HIS index 70
residue id #!1/A:412 name ASN index 71
residue id #!1/A:413 name THR index 72
residue id #!1/A:414 name MET index 73
residue id #!1/A:415 name LEU index 74
residue id #!1/A:416 name ASN index 75
residue id #!1/A:417 name PRO index 76
residue id #!1/A:418 name HIS index 77
residue id #!1/A:419 name ILE index 78
residue id #!1/A:420 name HIS index 79
residue id #!1/A:421 name LEU index 80
residue id #!1/A:422 name MET index 81
residue id #!1/A:423 name GLY index 82
residue id #!1/A:424 name ASP index 83
residue id #!1/A:425 name GLU index 84
residue id #!1/A:426 name SER index 85
residue id #!1/A:427 name ALA index 86
residue id #!1/A:428 name CYS index 87
residue id #!1/A:429 name ILE index 88
residue id #!1/A:430 name ALA index 89
residue id #!1/A:431 name TYR index 90
residue id #!1/A:432 name ILE index 91
residue id #!1/A:433 name ARG index 92
residue id #!1/A:434 name ILE index 93
residue id #!1/A:435 name THR index 94
residue id #!1/A:436 name GLN index 95
residue id #!1/A:437 name TYR index 96
residue id #!1/A:438 name LEU index 97
residue id #!1/A:439 name ASP index 98
residue id #!1/A:440 name ALA index 99
residue id #!1/A:441 name GLY index 100
residue id #!1/A:442 name GLY index 101
residue id #!1/A:443 name ILE index 102
residue id #!1/A:444 name PRO index 103
residue id #!1/A:445 name ARG index 104
residue id #!1/A:446 name THR index 105
residue id #!1/A:447 name ALA index 106
residue id #!1/A:448 name GLN index 107
residue id #!1/A:449 name SER index 108
residue id #!1/A:450 name GLU index 109
residue id #!1/A:451 name GLU index 110
residue id #!1/A:452 name THR index 111
residue id #!1/A:453 name ARG index 112
residue id #!1/A:454 name VAL index 113
residue id #!1/A:455 name TRP index 114
residue id #!1/A:456 name HIS index 115
residue id #!1/A:457 name ARG index 116
residue id #!1/A:458 name ARG index 117
residue id #!1/A:459 name ASP index 118
residue id #!1/A:460 name GLY index 119
residue id #!1/A:461 name LYS index 120
residue id #!1/A:462 name TRP index 121
residue id #!1/A:463 name GLN index 122
residue id #!1/A:464 name HIS index 123
residue id #!1/A:465 name VAL index 124
residue id #!1/A:466 name HIS index 125
residue id #!1/A:467 name MET index 126
residue id #!1/A:468 name HIS index 127
residue id #!1/A:469 name ARG index 128
residue id #!1/A:470 name SER index 129
residue id #!1/A:471 name GLY index 130
residue id #!1/A:472 name ALA index 131
residue id #!1/D:343 name HIS index 2
residue id #!1/D:344 name MET index 3
residue id #!1/D:345 name VAL index 4
residue id #!1/D:346 name ARG index 5
residue id #!1/D:347 name LYS index 6
residue id #!1/D:348 name GLN index 7
residue id #!1/D:349 name GLU index 8
residue id #!1/D:350 name ILE index 9
residue id #!1/D:351 name ILE index 10
residue id #!1/D:352 name LYS index 11
residue id #!1/D:353 name VAL index 12
residue id #!1/D:354 name ASN index 13
residue id #!1/D:355 name GLN index 14
residue id #!1/D:356 name GLN index 15
residue id #!1/D:357 name LEU index 16
residue id #!1/D:358 name ILE index 17
residue id #!1/D:359 name GLU index 18
residue id #!1/D:360 name ALA index 19
residue id #!1/D:361 name ILE index 20
residue id #!1/D:362 name SER index 21
residue id #!1/D:363 name ASN index 22
residue id #!1/D:364 name GLY index 23
residue id #!1/D:365 name ASP index 24
residue id #!1/D:366 name PHE index 25
residue id #!1/D:367 name GLU index 26
residue id #!1/D:368 name SER index 27
residue id #!1/D:369 name TYR index 28
residue id #!1/D:370 name THR index 29
residue id #!1/D:371 name LYS index 30
residue id #!1/D:372 name MET index 31
residue id #!1/D:373 name CYS index 32
residue id #!1/D:374 name ASP index 33
residue id #!1/D:375 name PRO index 34
residue id #!1/D:376 name GLY index 35
residue id #!1/D:377 name MET index 36
residue id #!1/D:378 name THR index 37
residue id #!1/D:379 name ALA index 38
residue id #!1/D:380 name PHE index 39
residue id #!1/D:381 name GLU index 40
residue id #!1/D:382 name PRO index 41
residue id #!1/D:383 name GLU index 42
residue id #!1/D:384 name ALA index 43
residue id #!1/D:385 name LEU index 44
residue id #!1/D:386 name GLY index 45
residue id #!1/D:387 name ASN index 46
residue id #!1/D:388 name LEU index 47
residue id #!1/D:389 name VAL index 48
residue id #!1/D:390 name GLU index 49
residue id #!1/D:391 name GLY index 50
residue id #!1/D:392 name LEU index 51
residue id #!1/D:393 name ASP index 52
residue id #!1/D:394 name PHE index 53
residue id #!1/D:395 name HIS index 54
residue id #!1/D:396 name ARG index 55
residue id #!1/D:397 name PHE index 56
residue id #!1/D:398 name TYR index 57
residue id #!1/D:399 name PHE index 58
residue id #!1/D:400 name GLU index 59
residue id #!1/D:401 name ASN index 60
residue id #!1/D:402 name LEU index 61
residue id #!1/D:403 name TRP index 62
residue id #!1/D:404 name SER index 63
residue id #!1/D:407 name SER index 66
residue id #!1/D:408 name LYS index 67
residue id #!1/D:409 name PRO index 68
residue id #!1/D:410 name VAL index 69
residue id #!1/D:411 name HIS index 70
residue id #!1/D:412 name ASN index 71
residue id #!1/D:413 name THR index 72
residue id #!1/D:414 name MET index 73
residue id #!1/D:415 name LEU index 74
residue id #!1/D:416 name ASN index 75
residue id #!1/D:417 name PRO index 76
residue id #!1/D:418 name HIS index 77
residue id #!1/D:419 name ILE index 78
residue id #!1/D:420 name HIS index 79
residue id #!1/D:421 name LEU index 80
residue id #!1/D:422 name MET index 81
residue id #!1/D:423 name GLY index 82
residue id #!1/D:424 name ASP index 83
residue id #!1/D:425 name GLU index 84
residue id #!1/D:426 name SER index 85
residue id #!1/D:427 name ALA index 86
residue id #!1/D:428 name CYS index 87
residue id #!1/D:429 name ILE index 88
residue id #!1/D:430 name ALA index 89
residue id #!1/D:431 name TYR index 90
residue id #!1/D:432 name ILE index 91
residue id #!1/D:433 name ARG index 92
residue id #!1/D:434 name ILE index 93
residue id #!1/D:435 name THR index 94
residue id #!1/D:436 name GLN index 95
residue id #!1/D:437 name TYR index 96
residue id #!1/D:438 name LEU index 97
residue id #!1/D:439 name ASP index 98
residue id #!1/D:440 name ALA index 99
residue id #!1/D:441 name GLY index 100
residue id #!1/D:442 name GLY index 101
residue id #!1/D:443 name ILE index 102
residue id #!1/D:444 name PRO index 103
residue id #!1/D:445 name ARG index 104
residue id #!1/D:446 name THR index 105
residue id #!1/D:447 name ALA index 106
residue id #!1/D:448 name GLN index 107
residue id #!1/D:449 name SER index 108
residue id #!1/D:450 name GLU index 109
residue id #!1/D:451 name GLU index 110
residue id #!1/D:452 name THR index 111
residue id #!1/D:453 name ARG index 112
residue id #!1/D:454 name VAL index 113
residue id #!1/D:455 name TRP index 114
residue id #!1/D:456 name HIS index 115
residue id #!1/D:457 name ARG index 116
residue id #!1/D:458 name ARG index 117
residue id #!1/D:459 name ASP index 118
residue id #!1/D:460 name GLY index 119
residue id #!1/D:461 name LYS index 120
residue id #!1/D:462 name TRP index 121
residue id #!1/D:463 name GLN index 122
residue id #!1/D:464 name HIS index 123
residue id #!1/D:465 name VAL index 124
residue id #!1/D:466 name HIS index 125
residue id #!1/D:467 name MET index 126
residue id #!1/D:468 name HIS index 127
residue id #!1/D:469 name ARG index 128
residue id #!1/D:470 name SER index 129
residue id #!1/D:471 name GLY index 130
residue id #!1/D:472 name ALA index 131
residue id #!1/D:473 name PRO index 132
residue id #!1/D:474 name SER index 133
residue id #!1/F:501 name K
residue id #!1/F:502 name K
residue id #!1/C:501 name GOL
residue id #!1/E:501 name GOL
residue id #!1/E:502 name K
residue id #!1/A:501 name GOL
residue id #!1/A:502 name K
residue id #!1/D:501 name K
residue id #!1/F:601 name HOH
residue id #!1/F:602 name HOH
residue id #!1/F:603 name HOH
residue id #!1/F:604 name HOH
residue id #!1/F:605 name HOH
residue id #!1/F:606 name HOH
residue id #!1/F:607 name HOH
residue id #!1/F:608 name HOH
residue id #!1/F:609 name HOH
residue id #!1/F:610 name HOH
residue id #!1/F:611 name HOH
residue id #!1/F:612 name HOH
residue id #!1/F:613 name HOH
residue id #!1/F:614 name HOH
residue id #!1/F:615 name HOH
residue id #!1/F:616 name HOH
residue id #!1/F:617 name HOH
residue id #!1/F:618 name HOH
residue id #!1/F:619 name HOH
residue id #!1/F:620 name HOH
residue id #!1/B:501 name HOH
residue id #!1/B:502 name HOH
residue id #!1/B:503 name HOH
residue id #!1/B:504 name HOH
residue id #!1/B:505 name HOH
residue id #!1/B:506 name HOH
residue id #!1/B:507 name HOH
residue id #!1/B:508 name HOH
residue id #!1/B:509 name HOH
residue id #!1/B:510 name HOH
residue id #!1/B:511 name HOH
residue id #!1/B:512 name HOH
residue id #!1/B:513 name HOH
residue id #!1/B:514 name HOH
residue id #!1/B:515 name HOH
residue id #!1/B:516 name HOH
residue id #!1/B:517 name HOH
residue id #!1/B:518 name HOH
residue id #!1/B:519 name HOH
residue id #!1/B:520 name HOH
residue id #!1/B:521 name HOH
residue id #!1/B:522 name HOH
residue id #!1/C:601 name HOH
residue id #!1/C:602 name HOH
residue id #!1/C:603 name HOH
residue id #!1/C:604 name HOH
residue id #!1/C:605 name HOH
residue id #!1/C:606 name HOH
residue id #!1/C:607 name HOH
residue id #!1/C:608 name HOH
residue id #!1/C:609 name HOH
residue id #!1/C:610 name HOH
residue id #!1/G:501 name HOH
residue id #!1/G:502 name HOH
residue id #!1/G:503 name HOH
residue id #!1/G:504 name HOH
residue id #!1/G:505 name HOH
residue id #!1/G:506 name HOH
residue id #!1/G:507 name HOH
residue id #!1/G:508 name HOH
residue id #!1/G:509 name HOH
residue id #!1/G:510 name HOH
residue id #!1/E:601 name HOH
residue id #!1/E:602 name HOH
residue id #!1/E:603 name HOH
residue id #!1/E:604 name HOH
residue id #!1/E:605 name HOH
residue id #!1/E:606 name HOH
residue id #!1/E:607 name HOH
residue id #!1/E:608 name HOH
residue id #!1/E:609 name HOH
residue id #!1/E:610 name HOH
residue id #!1/E:611 name HOH
residue id #!1/E:612 name HOH
residue id #!1/E:613 name HOH
residue id #!1/E:614 name HOH
residue id #!1/E:615 name HOH
residue id #!1/E:616 name HOH
residue id #!1/E:617 name HOH
residue id #!1/E:618 name HOH
residue id #!1/E:619 name HOH
residue id #!1/A:601 name HOH
residue id #!1/A:602 name HOH
residue id #!1/A:603 name HOH
residue id #!1/A:604 name HOH
residue id #!1/A:605 name HOH
residue id #!1/A:606 name HOH
residue id #!1/A:607 name HOH
residue id #!1/A:608 name HOH
residue id #!1/A:609 name HOH
residue id #!1/A:610 name HOH
residue id #!1/A:611 name HOH
residue id #!1/A:612 name HOH
residue id #!1/D:601 name HOH
residue id #!1/D:602 name HOH
residue id #!1/D:603 name HOH
residue id #!1/D:604 name HOH
residue id #!1/D:605 name HOH
residue id #!1/D:606 name HOH
residue id #!1/D:607 name HOH
residue id #!1/D:608 name HOH
residue id #!1/D:609 name HOH
residue id #!1/D:610 name HOH
residue id #!1/D:611 name HOH
residue id #!1/D:612 name HOH
residue id #1.3.1/A:1 name PHE
residue id #1.3.2/A:1 name PHE
residue id #1.3.3/A:1 name PHE
residue id #1.3.4/A:1 name PHE
residue id #1.3.5/A:1 name PHE
residue id #1.3.6/A:1 name PHE
> ui tool show Rotamers
> swapaa interactive sel TRP rotLib Dunbrack
6OF8 (1).pdb #!1/A TRP 403: phi -113.7, psi 110.8 trans
Changed 468 bond radii
> hbonds #!1 & ~#!1/A:403 & ~solvent reveal true restrict #1.4 & ~@c,ca,n
0 hydrogen bonds found
> swapaa #!1/A:403 TRP criteria 16 rotLib Dunbrack retain false
Using Dunbrack library
6OF8 (1).pdb #!1/A TRP 403: phi -113.7, psi 110.8 trans
Applying TRP rotamer (chi angles: -66.7 -112.6) to 6OF8 (1).pdb #!1/A TRP 403
> swapaa interactive sel PHE rotLib Dunbrack
6OF8 (1).pdb #!1/A TRP 403: phi -113.7, psi 110.8 trans
Changed 162 bond radii
> swapaa #!1/A:403 PHE criteria 1 rotLib Dunbrack
Using Dunbrack library
6OF8 (1).pdb #!1/A TRP 403: phi -113.7, psi 110.8 trans
Applying PHE rotamer (chi angles: -65.5 88.9) to 6OF8 (1).pdb #!1/A PHE 403
> swapaa interactive sel PHE rotLib Dunbrack
6OF8 (1).pdb #!1/A PHE 403: phi -113.7, psi 110.8 trans
Changed 162 bond radii
> swapaa interactive sel PHE rotLib Dunbrack
6OF8 (1).pdb #!1/A PHE 403: phi -113.7, psi 110.8 trans
Changed 162 bond radii
> info residues
residue id #!1/F:346 name ARG index 5
residue id #!1/F:347 name LYS index 6
residue id #!1/F:348 name GLN index 7
residue id #!1/F:349 name GLU index 8
residue id #!1/F:350 name ILE index 9
residue id #!1/F:351 name ILE index 10
residue id #!1/F:352 name LYS index 11
residue id #!1/F:353 name VAL index 12
residue id #!1/F:354 name ASN index 13
residue id #!1/F:355 name GLN index 14
residue id #!1/F:356 name GLN index 15
residue id #!1/F:357 name LEU index 16
residue id #!1/F:358 name ILE index 17
residue id #!1/F:359 name GLU index 18
residue id #!1/F:360 name ALA index 19
residue id #!1/F:361 name ILE index 20
residue id #!1/F:362 name SER index 21
residue id #!1/F:363 name ASN index 22
residue id #!1/F:364 name GLY index 23
residue id #!1/F:365 name ASP index 24
residue id #!1/F:366 name PHE index 25
residue id #!1/F:367 name GLU index 26
residue id #!1/F:368 name SER index 27
residue id #!1/F:369 name TYR index 28
residue id #!1/F:370 name THR index 29
residue id #!1/F:371 name LYS index 30
residue id #!1/F:372 name MET index 31
residue id #!1/F:373 name CYS index 32
residue id #!1/F:374 name ASP index 33
residue id #!1/F:375 name PRO index 34
residue id #!1/F:376 name GLY index 35
residue id #!1/F:377 name MET index 36
residue id #!1/F:378 name THR index 37
residue id #!1/F:379 name ALA index 38
residue id #!1/F:380 name PHE index 39
residue id #!1/F:381 name GLU index 40
residue id #!1/F:382 name PRO index 41
residue id #!1/F:383 name GLU index 42
residue id #!1/F:384 name ALA index 43
residue id #!1/F:385 name LEU index 44
residue id #!1/F:386 name GLY index 45
residue id #!1/F:387 name ASN index 46
residue id #!1/F:388 name LEU index 47
residue id #!1/F:389 name VAL index 48
residue id #!1/F:390 name GLU index 49
residue id #!1/F:391 name GLY index 50
residue id #!1/F:392 name LEU index 51
residue id #!1/F:393 name ASP index 52
residue id #!1/F:394 name PHE index 53
residue id #!1/F:395 name HIS index 54
residue id #!1/F:396 name ARG index 55
residue id #!1/F:397 name PHE index 56
residue id #!1/F:398 name TYR index 57
residue id #!1/F:399 name PHE index 58
residue id #!1/F:400 name GLU index 59
residue id #!1/F:401 name ASN index 60
residue id #!1/F:402 name LEU index 61
residue id #!1/F:403 name TRP index 62
residue id #!1/F:404 name SER index 63
residue id #!1/F:405 name ARG index 64
residue id #!1/F:406 name ASN index 65
residue id #!1/F:407 name SER index 66
residue id #!1/F:408 name LYS index 67
residue id #!1/F:409 name PRO index 68
residue id #!1/F:410 name VAL index 69
residue id #!1/F:411 name HIS index 70
residue id #!1/F:412 name ASN index 71
residue id #!1/F:413 name THR index 72
residue id #!1/F:414 name MET index 73
residue id #!1/F:415 name LEU index 74
residue id #!1/F:416 name ASN index 75
residue id #!1/F:417 name PRO index 76
residue id #!1/F:418 name HIS index 77
residue id #!1/F:419 name ILE index 78
residue id #!1/F:420 name HIS index 79
residue id #!1/F:421 name LEU index 80
residue id #!1/F:422 name MET index 81
residue id #!1/F:423 name GLY index 82
residue id #!1/F:424 name ASP index 83
residue id #!1/F:425 name GLU index 84
residue id #!1/F:426 name SER index 85
residue id #!1/F:427 name ALA index 86
residue id #!1/F:428 name CYS index 87
residue id #!1/F:429 name ILE index 88
residue id #!1/F:430 name ALA index 89
residue id #!1/F:431 name TYR index 90
residue id #!1/F:432 name ILE index 91
residue id #!1/F:433 name ARG index 92
residue id #!1/F:434 name ILE index 93
residue id #!1/F:435 name THR index 94
residue id #!1/F:436 name GLN index 95
residue id #!1/F:437 name TYR index 96
residue id #!1/F:438 name LEU index 97
residue id #!1/F:439 name ASP index 98
residue id #!1/F:440 name ALA index 99
residue id #!1/F:441 name GLY index 100
residue id #!1/F:442 name GLY index 101
residue id #!1/F:443 name ILE index 102
residue id #!1/F:444 name PRO index 103
residue id #!1/F:445 name ARG index 104
residue id #!1/F:446 name THR index 105
residue id #!1/F:447 name ALA index 106
residue id #!1/F:448 name GLN index 107
residue id #!1/F:449 name SER index 108
residue id #!1/F:450 name GLU index 109
residue id #!1/F:451 name GLU index 110
residue id #!1/F:452 name THR index 111
residue id #!1/F:453 name ARG index 112
residue id #!1/F:454 name VAL index 113
residue id #!1/F:455 name TRP index 114
residue id #!1/F:456 name HIS index 115
residue id #!1/F:457 name ARG index 116
residue id #!1/F:458 name ARG index 117
residue id #!1/F:459 name ASP index 118
residue id #!1/F:460 name GLY index 119
residue id #!1/F:461 name LYS index 120
residue id #!1/F:462 name TRP index 121
residue id #!1/F:463 name GLN index 122
residue id #!1/F:464 name HIS index 123
residue id #!1/F:465 name VAL index 124
residue id #!1/F:466 name HIS index 125
residue id #!1/F:467 name MET index 126
residue id #!1/F:468 name HIS index 127
residue id #!1/F:469 name ARG index 128
residue id #!1/F:470 name SER index 129
residue id #!1/F:471 name GLY index 130
residue id #!1/F:472 name ALA index 131
residue id #!1/F:473 name PRO index 132
residue id #!1/B:343 name HIS index 2
residue id #!1/B:344 name MET index 3
residue id #!1/B:345 name VAL index 4
residue id #!1/B:346 name ARG index 5
residue id #!1/B:347 name LYS index 6
residue id #!1/B:348 name GLN index 7
residue id #!1/B:349 name GLU index 8
residue id #!1/B:350 name ILE index 9
residue id #!1/B:351 name ILE index 10
residue id #!1/B:352 name LYS index 11
residue id #!1/B:353 name VAL index 12
residue id #!1/B:354 name ASN index 13
residue id #!1/B:355 name GLN index 14
residue id #!1/B:356 name GLN index 15
residue id #!1/B:357 name LEU index 16
residue id #!1/B:358 name ILE index 17
residue id #!1/B:359 name GLU index 18
residue id #!1/B:360 name ALA index 19
residue id #!1/B:361 name ILE index 20
residue id #!1/B:362 name SER index 21
residue id #!1/B:363 name ASN index 22
residue id #!1/B:364 name GLY index 23
residue id #!1/B:365 name ASP index 24
residue id #!1/B:366 name PHE index 25
residue id #!1/B:367 name GLU index 26
residue id #!1/B:368 name SER index 27
residue id #!1/B:369 name TYR index 28
residue id #!1/B:370 name THR index 29
residue id #!1/B:371 name LYS index 30
residue id #!1/B:372 name MET index 31
residue id #!1/B:373 name CYS index 32
residue id #!1/B:374 name ASP index 33
residue id #!1/B:375 name PRO index 34
residue id #!1/B:376 name GLY index 35
residue id #!1/B:377 name MET index 36
residue id #!1/B:378 name THR index 37
residue id #!1/B:379 name ALA index 38
residue id #!1/B:380 name PHE index 39
residue id #!1/B:381 name GLU index 40
residue id #!1/B:382 name PRO index 41
residue id #!1/B:383 name GLU index 42
residue id #!1/B:384 name ALA index 43
residue id #!1/B:385 name LEU index 44
residue id #!1/B:386 name GLY index 45
residue id #!1/B:387 name ASN index 46
residue id #!1/B:388 name LEU index 47
residue id #!1/B:389 name VAL index 48
residue id #!1/B:390 name GLU index 49
residue id #!1/B:391 name GLY index 50
residue id #!1/B:392 name LEU index 51
residue id #!1/B:393 name ASP index 52
residue id #!1/B:394 name PHE index 53
residue id #!1/B:395 name HIS index 54
residue id #!1/B:396 name ARG index 55
residue id #!1/B:397 name PHE index 56
residue id #!1/B:398 name TYR index 57
residue id #!1/B:399 name PHE index 58
residue id #!1/B:400 name GLU index 59
residue id #!1/B:401 name ASN index 60
residue id #!1/B:402 name LEU index 61
residue id #!1/B:403 name TRP index 62
residue id #!1/B:404 name SER index 63
residue id #!1/B:405 name ARG index 64
residue id #!1/B:406 name ASN index 65
residue id #!1/B:407 name SER index 66
residue id #!1/B:408 name LYS index 67
residue id #!1/B:409 name PRO index 68
residue id #!1/B:410 name VAL index 69
residue id #!1/B:411 name HIS index 70
residue id #!1/B:412 name ASN index 71
residue id #!1/B:413 name THR index 72
residue id #!1/B:414 name MET index 73
residue id #!1/B:415 name LEU index 74
residue id #!1/B:416 name ASN index 75
residue id #!1/B:417 name PRO index 76
residue id #!1/B:418 name HIS index 77
residue id #!1/B:419 name ILE index 78
residue id #!1/B:420 name HIS index 79
residue id #!1/B:421 name LEU index 80
residue id #!1/B:422 name MET index 81
residue id #!1/B:423 name GLY index 82
residue id #!1/B:424 name ASP index 83
residue id #!1/B:425 name GLU index 84
residue id #!1/B:426 name SER index 85
residue id #!1/B:427 name ALA index 86
residue id #!1/B:428 name CYS index 87
residue id #!1/B:429 name ILE index 88
residue id #!1/B:430 name ALA index 89
residue id #!1/B:431 name TYR index 90
residue id #!1/B:432 name ILE index 91
residue id #!1/B:433 name ARG index 92
residue id #!1/B:434 name ILE index 93
residue id #!1/B:435 name THR index 94
residue id #!1/B:436 name GLN index 95
residue id #!1/B:437 name TYR index 96
residue id #!1/B:438 name LEU index 97
residue id #!1/B:439 name ASP index 98
residue id #!1/B:440 name ALA index 99
residue id #!1/B:441 name GLY index 100
residue id #!1/B:442 name GLY index 101
residue id #!1/B:443 name ILE index 102
residue id #!1/B:444 name PRO index 103
residue id #!1/B:445 name ARG index 104
residue id #!1/B:446 name THR index 105
residue id #!1/B:447 name ALA index 106
residue id #!1/B:448 name GLN index 107
residue id #!1/B:449 name SER index 108
residue id #!1/B:450 name GLU index 109
residue id #!1/B:451 name GLU index 110
residue id #!1/B:452 name THR index 111
residue id #!1/B:453 name ARG index 112
residue id #!1/B:454 name VAL index 113
residue id #!1/B:455 name TRP index 114
residue id #!1/B:456 name HIS index 115
residue id #!1/B:457 name ARG index 116
residue id #!1/B:458 name ARG index 117
residue id #!1/B:459 name ASP index 118
residue id #!1/B:460 name GLY index 119
residue id #!1/B:461 name LYS index 120
residue id #!1/B:462 name TRP index 121
residue id #!1/B:463 name GLN index 122
residue id #!1/B:464 name HIS index 123
residue id #!1/B:465 name VAL index 124
residue id #!1/B:466 name HIS index 125
residue id #!1/B:467 name MET index 126
residue id #!1/B:468 name HIS index 127
residue id #!1/B:469 name ARG index 128
residue id #!1/B:470 name SER index 129
residue id #!1/B:471 name GLY index 130
residue id #!1/B:472 name ALA index 131
residue id #!1/C:343 name HIS index 2
residue id #!1/C:344 name MET index 3
residue id #!1/C:345 name VAL index 4
residue id #!1/C:346 name ARG index 5
residue id #!1/C:347 name LYS index 6
residue id #!1/C:348 name GLN index 7
residue id #!1/C:349 name GLU index 8
residue id #!1/C:350 name ILE index 9
residue id #!1/C:351 name ILE index 10
residue id #!1/C:352 name LYS index 11
residue id #!1/C:353 name VAL index 12
residue id #!1/C:354 name ASN index 13
residue id #!1/C:355 name GLN index 14
residue id #!1/C:356 name GLN index 15
residue id #!1/C:357 name LEU index 16
residue id #!1/C:358 name ILE index 17
residue id #!1/C:359 name GLU index 18
residue id #!1/C:360 name ALA index 19
residue id #!1/C:361 name ILE index 20
residue id #!1/C:362 name SER index 21
residue id #!1/C:363 name ASN index 22
residue id #!1/C:364 name GLY index 23
residue id #!1/C:365 name ASP index 24
residue id #!1/C:366 name PHE index 25
residue id #!1/C:367 name GLU index 26
residue id #!1/C:368 name SER index 27
residue id #!1/C:369 name TYR index 28
residue id #!1/C:370 name THR index 29
residue id #!1/C:371 name LYS index 30
residue id #!1/C:372 name MET index 31
residue id #!1/C:373 name CYS index 32
residue id #!1/C:374 name ASP index 33
residue id #!1/C:375 name PRO index 34
residue id #!1/C:376 name GLY index 35
residue id #!1/C:377 name MET index 36
residue id #!1/C:378 name THR index 37
residue id #!1/C:379 name ALA index 38
residue id #!1/C:380 name PHE index 39
residue id #!1/C:381 name GLU index 40
residue id #!1/C:382 name PRO index 41
residue id #!1/C:383 name GLU index 42
residue id #!1/C:384 name ALA index 43
residue id #!1/C:385 name LEU index 44
residue id #!1/C:386 name GLY index 45
residue id #!1/C:387 name ASN index 46
residue id #!1/C:388 name LEU index 47
residue id #!1/C:389 name VAL index 48
residue id #!1/C:390 name GLU index 49
residue id #!1/C:391 name GLY index 50
residue id #!1/C:392 name LEU index 51
residue id #!1/C:393 name ASP index 52
residue id #!1/C:394 name PHE index 53
residue id #!1/C:395 name HIS index 54
residue id #!1/C:396 name ARG index 55
residue id #!1/C:397 name PHE index 56
residue id #!1/C:398 name TYR index 57
residue id #!1/C:399 name PHE index 58
residue id #!1/C:400 name GLU index 59
residue id #!1/C:401 name ASN index 60
residue id #!1/C:402 name LEU index 61
residue id #!1/C:403 name TRP index 62
residue id #!1/C:404 name SER index 63
residue id #!1/C:405 name ARG index 64
residue id #!1/C:406 name ASN index 65
residue id #!1/C:407 name SER index 66
residue id #!1/C:408 name LYS index 67
residue id #!1/C:409 name PRO index 68
residue id #!1/C:410 name VAL index 69
residue id #!1/C:411 name HIS index 70
residue id #!1/C:412 name ASN index 71
residue id #!1/C:413 name THR index 72
residue id #!1/C:414 name MET index 73
residue id #!1/C:415 name LEU index 74
residue id #!1/C:416 name ASN index 75
residue id #!1/C:417 name PRO index 76
residue id #!1/C:418 name HIS index 77
residue id #!1/C:419 name ILE index 78
residue id #!1/C:420 name HIS index 79
residue id #!1/C:421 name LEU index 80
residue id #!1/C:422 name MET index 81
residue id #!1/C:423 name GLY index 82
residue id #!1/C:424 name ASP index 83
residue id #!1/C:425 name GLU index 84
residue id #!1/C:426 name SER index 85
residue id #!1/C:427 name ALA index 86
residue id #!1/C:428 name CYS index 87
residue id #!1/C:429 name ILE index 88
residue id #!1/C:430 name ALA index 89
residue id #!1/C:431 name TYR index 90
residue id #!1/C:432 name ILE index 91
residue id #!1/C:433 name ARG index 92
residue id #!1/C:434 name ILE index 93
residue id #!1/C:435 name THR index 94
residue id #!1/C:436 name GLN index 95
residue id #!1/C:437 name TYR index 96
residue id #!1/C:438 name LEU index 97
residue id #!1/C:439 name ASP index 98
residue id #!1/C:440 name ALA index 99
residue id #!1/C:441 name GLY index 100
residue id #!1/C:442 name GLY index 101
residue id #!1/C:443 name ILE index 102
residue id #!1/C:444 name PRO index 103
residue id #!1/C:445 name ARG index 104
residue id #!1/C:446 name THR index 105
residue id #!1/C:447 name ALA index 106
residue id #!1/C:448 name GLN index 107
residue id #!1/C:449 name SER index 108
residue id #!1/C:450 name GLU index 109
residue id #!1/C:451 name GLU index 110
residue id #!1/C:452 name THR index 111
residue id #!1/C:453 name ARG index 112
residue id #!1/C:454 name VAL index 113
residue id #!1/C:455 name TRP index 114
residue id #!1/C:456 name HIS index 115
residue id #!1/C:457 name ARG index 116
residue id #!1/C:458 name ARG index 117
residue id #!1/C:459 name ASP index 118
residue id #!1/C:460 name GLY index 119
residue id #!1/C:461 name LYS index 120
residue id #!1/C:462 name TRP index 121
residue id #!1/C:463 name GLN index 122
residue id #!1/C:464 name HIS index 123
residue id #!1/C:465 name VAL index 124
residue id #!1/C:466 name HIS index 125
residue id #!1/C:467 name MET index 126
residue id #!1/C:468 name HIS index 127
residue id #!1/C:469 name ARG index 128
residue id #!1/C:470 name SER index 129
residue id #!1/C:471 name GLY index 130
residue id #!1/C:472 name ALA index 131
residue id #!1/G:343 name HIS index 2
residue id #!1/G:344 name MET index 3
residue id #!1/G:345 name VAL index 4
residue id #!1/G:346 name ARG index 5
residue id #!1/G:347 name LYS index 6
residue id #!1/G:348 name GLN index 7
residue id #!1/G:349 name GLU index 8
residue id #!1/G:350 name ILE index 9
residue id #!1/G:351 name ILE index 10
residue id #!1/G:352 name LYS index 11
residue id #!1/G:353 name VAL index 12
residue id #!1/G:354 name ASN index 13
residue id #!1/G:355 name GLN index 14
residue id #!1/G:356 name GLN index 15
residue id #!1/G:357 name LEU index 16
residue id #!1/G:358 name ILE index 17
residue id #!1/G:359 name GLU index 18
residue id #!1/G:360 name ALA index 19
residue id #!1/G:361 name ILE index 20
residue id #!1/G:362 name SER index 21
residue id #!1/G:363 name ASN index 22
residue id #!1/G:364 name GLY index 23
residue id #!1/G:365 name ASP index 24
residue id #!1/G:366 name PHE index 25
residue id #!1/G:367 name GLU index 26
residue id #!1/G:368 name SER index 27
residue id #!1/G:369 name TYR index 28
residue id #!1/G:370 name THR index 29
residue id #!1/G:371 name LYS index 30
residue id #!1/G:372 name MET index 31
residue id #!1/G:373 name CYS index 32
residue id #!1/G:374 name ASP index 33
residue id #!1/G:375 name PRO index 34
residue id #!1/G:376 name GLY index 35
residue id #!1/G:377 name MET index 36
residue id #!1/G:378 name THR index 37
residue id #!1/G:379 name ALA index 38
residue id #!1/G:380 name PHE index 39
residue id #!1/G:381 name GLU index 40
residue id #!1/G:382 name PRO index 41
residue id #!1/G:383 name GLU index 42
residue id #!1/G:384 name ALA index 43
residue id #!1/G:385 name LEU index 44
residue id #!1/G:386 name GLY index 45
residue id #!1/G:387 name ASN index 46
residue id #!1/G:388 name LEU index 47
residue id #!1/G:389 name VAL index 48
residue id #!1/G:390 name GLU index 49
residue id #!1/G:391 name GLY index 50
residue id #!1/G:392 name LEU index 51
residue id #!1/G:393 name ASP index 52
residue id #!1/G:394 name PHE index 53
residue id #!1/G:395 name HIS index 54
residue id #!1/G:396 name ARG index 55
residue id #!1/G:397 name PHE index 56
residue id #!1/G:398 name TYR index 57
residue id #!1/G:399 name PHE index 58
residue id #!1/G:400 name GLU index 59
residue id #!1/G:401 name ASN index 60
residue id #!1/G:402 name LEU index 61
residue id #!1/G:403 name TRP index 62
residue id #!1/G:409 name PRO index 68
residue id #!1/G:410 name VAL index 69
residue id #!1/G:411 name HIS index 70
residue id #!1/G:412 name ASN index 71
residue id #!1/G:413 name THR index 72
residue id #!1/G:414 name MET index 73
residue id #!1/G:415 name LEU index 74
residue id #!1/G:416 name ASN index 75
residue id #!1/G:417 name PRO index 76
residue id #!1/G:418 name HIS index 77
residue id #!1/G:419 name ILE index 78
residue id #!1/G:420 name HIS index 79
residue id #!1/G:421 name LEU index 80
residue id #!1/G:422 name MET index 81
residue id #!1/G:423 name GLY index 82
residue id #!1/G:424 name ASP index 83
residue id #!1/G:425 name GLU index 84
residue id #!1/G:426 name SER index 85
residue id #!1/G:427 name ALA index 86
residue id #!1/G:428 name CYS index 87
residue id #!1/G:429 name ILE index 88
residue id #!1/G:430 name ALA index 89
residue id #!1/G:431 name TYR index 90
residue id #!1/G:432 name ILE index 91
residue id #!1/G:433 name ARG index 92
residue id #!1/G:434 name ILE index 93
residue id #!1/G:435 name THR index 94
residue id #!1/G:436 name GLN index 95
residue id #!1/G:437 name TYR index 96
residue id #!1/G:438 name LEU index 97
residue id #!1/G:439 name ASP index 98
residue id #!1/G:440 name ALA index 99
residue id #!1/G:441 name GLY index 100
residue id #!1/G:442 name GLY index 101
residue id #!1/G:443 name ILE index 102
residue id #!1/G:444 name PRO index 103
residue id #!1/G:445 name ARG index 104
residue id #!1/G:446 name THR index 105
residue id #!1/G:447 name ALA index 106
residue id #!1/G:448 name GLN index 107
residue id #!1/G:449 name SER index 108
residue id #!1/G:450 name GLU index 109
residue id #!1/G:451 name GLU index 110
residue id #!1/G:452 name THR index 111
residue id #!1/G:453 name ARG index 112
residue id #!1/G:454 name VAL index 113
residue id #!1/G:455 name TRP index 114
residue id #!1/G:456 name HIS index 115
residue id #!1/G:457 name ARG index 116
residue id #!1/G:458 name ARG index 117
residue id #!1/G:459 name ASP index 118
residue id #!1/G:460 name GLY index 119
residue id #!1/G:461 name LYS index 120
residue id #!1/G:462 name TRP index 121
residue id #!1/G:463 name GLN index 122
residue id #!1/G:464 name HIS index 123
residue id #!1/G:465 name VAL index 124
residue id #!1/G:466 name HIS index 125
residue id #!1/G:467 name MET index 126
residue id #!1/G:468 name HIS index 127
residue id #!1/G:469 name ARG index 128
residue id #!1/G:470 name SER index 129
residue id #!1/G:471 name GLY index 130
residue id #!1/G:472 name ALA index 131
residue id #!1/E:346 name ARG index 5
residue id #!1/E:347 name LYS index 6
residue id #!1/E:348 name GLN index 7
residue id #!1/E:349 name GLU index 8
residue id #!1/E:350 name ILE index 9
residue id #!1/E:351 name ILE index 10
residue id #!1/E:352 name LYS index 11
residue id #!1/E:353 name VAL index 12
residue id #!1/E:354 name ASN index 13
residue id #!1/E:355 name GLN index 14
residue id #!1/E:356 name GLN index 15
residue id #!1/E:357 name LEU index 16
residue id #!1/E:358 name ILE index 17
residue id #!1/E:359 name GLU index 18
residue id #!1/E:360 name ALA index 19
residue id #!1/E:361 name ILE index 20
residue id #!1/E:362 name SER index 21
residue id #!1/E:363 name ASN index 22
residue id #!1/E:364 name GLY index 23
residue id #!1/E:365 name ASP index 24
residue id #!1/E:366 name PHE index 25
residue id #!1/E:367 name GLU index 26
residue id #!1/E:368 name SER index 27
residue id #!1/E:369 name TYR index 28
residue id #!1/E:370 name THR index 29
residue id #!1/E:371 name LYS index 30
residue id #!1/E:372 name MET index 31
residue id #!1/E:373 name CYS index 32
residue id #!1/E:374 name ASP index 33
residue id #!1/E:375 name PRO index 34
residue id #!1/E:376 name GLY index 35
residue id #!1/E:377 name MET index 36
residue id #!1/E:378 name THR index 37
residue id #!1/E:379 name ALA index 38
residue id #!1/E:380 name PHE index 39
residue id #!1/E:381 name GLU index 40
residue id #!1/E:382 name PRO index 41
residue id #!1/E:383 name GLU index 42
residue id #!1/E:384 name ALA index 43
residue id #!1/E:385 name LEU index 44
residue id #!1/E:386 name GLY index 45
residue id #!1/E:387 name ASN index 46
residue id #!1/E:388 name LEU index 47
residue id #!1/E:389 name VAL index 48
residue id #!1/E:390 name GLU index 49
residue id #!1/E:391 name GLY index 50
residue id #!1/E:392 name LEU index 51
residue id #!1/E:393 name ASP index 52
residue id #!1/E:394 name PHE index 53
residue id #!1/E:395 name HIS index 54
residue id #!1/E:396 name ARG index 55
residue id #!1/E:397 name PHE index 56
residue id #!1/E:398 name TYR index 57
residue id #!1/E:399 name PHE index 58
residue id #!1/E:400 name GLU index 59
residue id #!1/E:401 name ASN index 60
residue id #!1/E:402 name LEU index 61
residue id #!1/E:403 name TRP index 62
residue id #!1/E:404 name SER index 63
residue id #!1/E:405 name ARG index 64
residue id #!1/E:406 name ASN index 65
residue id #!1/E:407 name SER index 66
residue id #!1/E:408 name LYS index 67
residue id #!1/E:409 name PRO index 68
residue id #!1/E:410 name VAL index 69
residue id #!1/E:411 name HIS index 70
residue id #!1/E:412 name ASN index 71
residue id #!1/E:413 name THR index 72
residue id #!1/E:414 name MET index 73
residue id #!1/E:415 name LEU index 74
residue id #!1/E:416 name ASN index 75
residue id #!1/E:417 name PRO index 76
residue id #!1/E:418 name HIS index 77
residue id #!1/E:419 name ILE index 78
residue id #!1/E:420 name HIS index 79
residue id #!1/E:421 name LEU index 80
residue id #!1/E:422 name MET index 81
residue id #!1/E:423 name GLY index 82
residue id #!1/E:424 name ASP index 83
residue id #!1/E:425 name GLU index 84
residue id #!1/E:426 name SER index 85
residue id #!1/E:427 name ALA index 86
residue id #!1/E:428 name CYS index 87
residue id #!1/E:429 name ILE index 88
residue id #!1/E:430 name ALA index 89
residue id #!1/E:431 name TYR index 90
residue id #!1/E:432 name ILE index 91
residue id #!1/E:433 name ARG index 92
residue id #!1/E:434 name ILE index 93
residue id #!1/E:435 name THR index 94
residue id #!1/E:436 name GLN index 95
residue id #!1/E:437 name TYR index 96
residue id #!1/E:438 name LEU index 97
residue id #!1/E:439 name ASP index 98
residue id #!1/E:440 name ALA index 99
residue id #!1/E:441 name GLY index 100
residue id #!1/E:442 name GLY index 101
residue id #!1/E:443 name ILE index 102
residue id #!1/E:444 name PRO index 103
residue id #!1/E:445 name ARG index 104
residue id #!1/E:446 name THR index 105
residue id #!1/E:447 name ALA index 106
residue id #!1/E:448 name GLN index 107
residue id #!1/E:449 name SER index 108
residue id #!1/E:450 name GLU index 109
residue id #!1/E:451 name GLU index 110
residue id #!1/E:452 name THR index 111
residue id #!1/E:453 name ARG index 112
residue id #!1/E:454 name VAL index 113
residue id #!1/E:455 name TRP index 114
residue id #!1/E:456 name HIS index 115
residue id #!1/E:457 name ARG index 116
residue id #!1/E:458 name ARG index 117
residue id #!1/E:459 name ASP index 118
residue id #!1/E:460 name GLY index 119
residue id #!1/E:461 name LYS index 120
residue id #!1/E:462 name TRP index 121
residue id #!1/E:463 name GLN index 122
residue id #!1/E:464 name HIS index 123
residue id #!1/E:465 name VAL index 124
residue id #!1/E:466 name HIS index 125
residue id #!1/E:467 name MET index 126
residue id #!1/E:468 name HIS index 127
residue id #!1/E:469 name ARG index 128
residue id #!1/E:470 name SER index 129
residue id #!1/E:471 name GLY index 130
residue id #!1/E:472 name ALA index 131
residue id #!1/E:473 name PRO index 132
residue id #!1/E:474 name SER index 133
residue id #!1/E:475 name VAL index 134
residue id #!1/A:342 name PRO index 1
residue id #!1/A:343 name HIS index 2
residue id #!1/A:344 name MET index 3
residue id #!1/A:345 name VAL index 4
residue id #!1/A:346 name ARG index 5
residue id #!1/A:347 name LYS index 6
residue id #!1/A:348 name GLN index 7
residue id #!1/A:349 name GLU index 8
residue id #!1/A:350 name ILE index 9
residue id #!1/A:351 name ILE index 10
residue id #!1/A:352 name LYS index 11
residue id #!1/A:353 name VAL index 12
residue id #!1/A:354 name ASN index 13
residue id #!1/A:355 name GLN index 14
residue id #!1/A:356 name GLN index 15
residue id #!1/A:357 name LEU index 16
residue id #!1/A:358 name ILE index 17
residue id #!1/A:359 name GLU index 18
residue id #!1/A:360 name ALA index 19
residue id #!1/A:361 name ILE index 20
residue id #!1/A:362 name SER index 21
residue id #!1/A:363 name ASN index 22
residue id #!1/A:364 name GLY index 23
residue id #!1/A:365 name ASP index 24
residue id #!1/A:366 name PHE index 25
residue id #!1/A:367 name GLU index 26
residue id #!1/A:368 name SER index 27
residue id #!1/A:369 name TYR index 28
residue id #!1/A:370 name THR index 29
residue id #!1/A:371 name LYS index 30
residue id #!1/A:372 name MET index 31
residue id #!1/A:373 name CYS index 32
residue id #!1/A:374 name ASP index 33
residue id #!1/A:375 name PRO index 34
residue id #!1/A:376 name GLY index 35
residue id #!1/A:377 name MET index 36
residue id #!1/A:378 name THR index 37
residue id #!1/A:379 name ALA index 38
residue id #!1/A:380 name PHE index 39
residue id #!1/A:381 name GLU index 40
residue id #!1/A:382 name PRO index 41
residue id #!1/A:383 name GLU index 42
residue id #!1/A:384 name ALA index 43
residue id #!1/A:385 name LEU index 44
residue id #!1/A:386 name GLY index 45
residue id #!1/A:387 name ASN index 46
residue id #!1/A:388 name LEU index 47
residue id #!1/A:389 name VAL index 48
residue id #!1/A:390 name GLU index 49
residue id #!1/A:391 name GLY index 50
residue id #!1/A:392 name LEU index 51
residue id #!1/A:393 name ASP index 52
residue id #!1/A:394 name PHE index 53
residue id #!1/A:395 name HIS index 54
residue id #!1/A:396 name ARG index 55
residue id #!1/A:397 name PHE index 56
residue id #!1/A:398 name TYR index 57
residue id #!1/A:399 name PHE index 58
residue id #!1/A:400 name GLU index 59
residue id #!1/A:401 name ASN index 60
residue id #!1/A:402 name LEU index 61
residue id #!1/A:403 name PHE index 62
residue id #!1/A:404 name SER index 63
residue id #!1/A:405 name ARG index 64
residue id #!1/A:406 name ASN index 65
residue id #!1/A:407 name SER index 66
residue id #!1/A:408 name LYS index 67
residue id #!1/A:409 name PRO index 68
residue id #!1/A:410 name VAL index 69
residue id #!1/A:411 name HIS index 70
residue id #!1/A:412 name ASN index 71
residue id #!1/A:413 name THR index 72
residue id #!1/A:414 name MET index 73
residue id #!1/A:415 name LEU index 74
residue id #!1/A:416 name ASN index 75
residue id #!1/A:417 name PRO index 76
residue id #!1/A:418 name HIS index 77
residue id #!1/A:419 name ILE index 78
residue id #!1/A:420 name HIS index 79
residue id #!1/A:421 name LEU index 80
residue id #!1/A:422 name MET index 81
residue id #!1/A:423 name GLY index 82
residue id #!1/A:424 name ASP index 83
residue id #!1/A:425 name GLU index 84
residue id #!1/A:426 name SER index 85
residue id #!1/A:427 name ALA index 86
residue id #!1/A:428 name CYS index 87
residue id #!1/A:429 name ILE index 88
residue id #!1/A:430 name ALA index 89
residue id #!1/A:431 name TYR index 90
residue id #!1/A:432 name ILE index 91
residue id #!1/A:433 name ARG index 92
residue id #!1/A:434 name ILE index 93
residue id #!1/A:435 name THR index 94
residue id #!1/A:436 name GLN index 95
residue id #!1/A:437 name TYR index 96
residue id #!1/A:438 name LEU index 97
residue id #!1/A:439 name ASP index 98
residue id #!1/A:440 name ALA index 99
residue id #!1/A:441 name GLY index 100
residue id #!1/A:442 name GLY index 101
residue id #!1/A:443 name ILE index 102
residue id #!1/A:444 name PRO index 103
residue id #!1/A:445 name ARG index 104
residue id #!1/A:446 name THR index 105
residue id #!1/A:447 name ALA index 106
residue id #!1/A:448 name GLN index 107
residue id #!1/A:449 name SER index 108
residue id #!1/A:450 name GLU index 109
residue id #!1/A:451 name GLU index 110
residue id #!1/A:452 name THR index 111
residue id #!1/A:453 name ARG index 112
residue id #!1/A:454 name VAL index 113
residue id #!1/A:455 name TRP index 114
residue id #!1/A:456 name HIS index 115
residue id #!1/A:457 name ARG index 116
residue id #!1/A:458 name ARG index 117
residue id #!1/A:459 name ASP index 118
residue id #!1/A:460 name GLY index 119
residue id #!1/A:461 name LYS index 120
residue id #!1/A:462 name TRP index 121
residue id #!1/A:463 name GLN index 122
residue id #!1/A:464 name HIS index 123
residue id #!1/A:465 name VAL index 124
residue id #!1/A:466 name HIS index 125
residue id #!1/A:467 name MET index 126
residue id #!1/A:468 name HIS index 127
residue id #!1/A:469 name ARG index 128
residue id #!1/A:470 name SER index 129
residue id #!1/A:471 name GLY index 130
residue id #!1/A:472 name ALA index 131
residue id #!1/D:343 name HIS index 2
residue id #!1/D:344 name MET index 3
residue id #!1/D:345 name VAL index 4
residue id #!1/D:346 name ARG index 5
residue id #!1/D:347 name LYS index 6
residue id #!1/D:348 name GLN index 7
residue id #!1/D:349 name GLU index 8
residue id #!1/D:350 name ILE index 9
residue id #!1/D:351 name ILE index 10
residue id #!1/D:352 name LYS index 11
residue id #!1/D:353 name VAL index 12
residue id #!1/D:354 name ASN index 13
residue id #!1/D:355 name GLN index 14
residue id #!1/D:356 name GLN index 15
residue id #!1/D:357 name LEU index 16
residue id #!1/D:358 name ILE index 17
residue id #!1/D:359 name GLU index 18
residue id #!1/D:360 name ALA index 19
residue id #!1/D:361 name ILE index 20
residue id #!1/D:362 name SER index 21
residue id #!1/D:363 name ASN index 22
residue id #!1/D:364 name GLY index 23
residue id #!1/D:365 name ASP index 24
residue id #!1/D:366 name PHE index 25
residue id #!1/D:367 name GLU index 26
residue id #!1/D:368 name SER index 27
residue id #!1/D:369 name TYR index 28
residue id #!1/D:370 name THR index 29
residue id #!1/D:371 name LYS index 30
residue id #!1/D:372 name MET index 31
residue id #!1/D:373 name CYS index 32
residue id #!1/D:374 name ASP index 33
residue id #!1/D:375 name PRO index 34
residue id #!1/D:376 name GLY index 35
residue id #!1/D:377 name MET index 36
residue id #!1/D:378 name THR index 37
residue id #!1/D:379 name ALA index 38
residue id #!1/D:380 name PHE index 39
residue id #!1/D:381 name GLU index 40
residue id #!1/D:382 name PRO index 41
residue id #!1/D:383 name GLU index 42
residue id #!1/D:384 name ALA index 43
residue id #!1/D:385 name LEU index 44
residue id #!1/D:386 name GLY index 45
residue id #!1/D:387 name ASN index 46
residue id #!1/D:388 name LEU index 47
residue id #!1/D:389 name VAL index 48
residue id #!1/D:390 name GLU index 49
residue id #!1/D:391 name GLY index 50
residue id #!1/D:392 name LEU index 51
residue id #!1/D:393 name ASP index 52
residue id #!1/D:394 name PHE index 53
residue id #!1/D:395 name HIS index 54
residue id #!1/D:396 name ARG index 55
residue id #!1/D:397 name PHE index 56
residue id #!1/D:398 name TYR index 57
residue id #!1/D:399 name PHE index 58
residue id #!1/D:400 name GLU index 59
residue id #!1/D:401 name ASN index 60
residue id #!1/D:402 name LEU index 61
residue id #!1/D:403 name TRP index 62
residue id #!1/D:404 name SER index 63
residue id #!1/D:407 name SER index 66
residue id #!1/D:408 name LYS index 67
residue id #!1/D:409 name PRO index 68
residue id #!1/D:410 name VAL index 69
residue id #!1/D:411 name HIS index 70
residue id #!1/D:412 name ASN index 71
residue id #!1/D:413 name THR index 72
residue id #!1/D:414 name MET index 73
residue id #!1/D:415 name LEU index 74
residue id #!1/D:416 name ASN index 75
residue id #!1/D:417 name PRO index 76
residue id #!1/D:418 name HIS index 77
residue id #!1/D:419 name ILE index 78
residue id #!1/D:420 name HIS index 79
residue id #!1/D:421 name LEU index 80
residue id #!1/D:422 name MET index 81
residue id #!1/D:423 name GLY index 82
residue id #!1/D:424 name ASP index 83
residue id #!1/D:425 name GLU index 84
residue id #!1/D:426 name SER index 85
residue id #!1/D:427 name ALA index 86
residue id #!1/D:428 name CYS index 87
residue id #!1/D:429 name ILE index 88
residue id #!1/D:430 name ALA index 89
residue id #!1/D:431 name TYR index 90
residue id #!1/D:432 name ILE index 91
residue id #!1/D:433 name ARG index 92
residue id #!1/D:434 name ILE index 93
residue id #!1/D:435 name THR index 94
residue id #!1/D:436 name GLN index 95
residue id #!1/D:437 name TYR index 96
residue id #!1/D:438 name LEU index 97
residue id #!1/D:439 name ASP index 98
residue id #!1/D:440 name ALA index 99
residue id #!1/D:441 name GLY index 100
residue id #!1/D:442 name GLY index 101
residue id #!1/D:443 name ILE index 102
residue id #!1/D:444 name PRO index 103
residue id #!1/D:445 name ARG index 104
residue id #!1/D:446 name THR index 105
residue id #!1/D:447 name ALA index 106
residue id #!1/D:448 name GLN index 107
residue id #!1/D:449 name SER index 108
residue id #!1/D:450 name GLU index 109
residue id #!1/D:451 name GLU index 110
residue id #!1/D:452 name THR index 111
residue id #!1/D:453 name ARG index 112
residue id #!1/D:454 name VAL index 113
residue id #!1/D:455 name TRP index 114
residue id #!1/D:456 name HIS index 115
residue id #!1/D:457 name ARG index 116
residue id #!1/D:458 name ARG index 117
residue id #!1/D:459 name ASP index 118
residue id #!1/D:460 name GLY index 119
residue id #!1/D:461 name LYS index 120
residue id #!1/D:462 name TRP index 121
residue id #!1/D:463 name GLN index 122
residue id #!1/D:464 name HIS index 123
residue id #!1/D:465 name VAL index 124
residue id #!1/D:466 name HIS index 125
residue id #!1/D:467 name MET index 126
residue id #!1/D:468 name HIS index 127
residue id #!1/D:469 name ARG index 128
residue id #!1/D:470 name SER index 129
residue id #!1/D:471 name GLY index 130
residue id #!1/D:472 name ALA index 131
residue id #!1/D:473 name PRO index 132
residue id #!1/D:474 name SER index 133
residue id #!1/F:501 name K
residue id #!1/F:502 name K
residue id #!1/C:501 name GOL
residue id #!1/E:501 name GOL
residue id #!1/E:502 name K
residue id #!1/A:501 name GOL
residue id #!1/A:502 name K
residue id #!1/D:501 name K
residue id #!1/F:601 name HOH
residue id #!1/F:602 name HOH
residue id #!1/F:603 name HOH
residue id #!1/F:604 name HOH
residue id #!1/F:605 name HOH
residue id #!1/F:606 name HOH
residue id #!1/F:607 name HOH
residue id #!1/F:608 name HOH
residue id #!1/F:609 name HOH
residue id #!1/F:610 name HOH
residue id #!1/F:611 name HOH
residue id #!1/F:612 name HOH
residue id #!1/F:613 name HOH
residue id #!1/F:614 name HOH
residue id #!1/F:615 name HOH
residue id #!1/F:616 name HOH
residue id #!1/F:617 name HOH
residue id #!1/F:618 name HOH
residue id #!1/F:619 name HOH
residue id #!1/F:620 name HOH
residue id #!1/B:501 name HOH
residue id #!1/B:502 name HOH
residue id #!1/B:503 name HOH
residue id #!1/B:504 name HOH
residue id #!1/B:505 name HOH
residue id #!1/B:506 name HOH
residue id #!1/B:507 name HOH
residue id #!1/B:508 name HOH
residue id #!1/B:509 name HOH
residue id #!1/B:510 name HOH
residue id #!1/B:511 name HOH
residue id #!1/B:512 name HOH
residue id #!1/B:513 name HOH
residue id #!1/B:514 name HOH
residue id #!1/B:515 name HOH
residue id #!1/B:516 name HOH
residue id #!1/B:517 name HOH
residue id #!1/B:518 name HOH
residue id #!1/B:519 name HOH
residue id #!1/B:520 name HOH
residue id #!1/B:521 name HOH
residue id #!1/B:522 name HOH
residue id #!1/C:601 name HOH
residue id #!1/C:602 name HOH
residue id #!1/C:603 name HOH
residue id #!1/C:604 name HOH
residue id #!1/C:605 name HOH
residue id #!1/C:606 name HOH
residue id #!1/C:607 name HOH
residue id #!1/C:608 name HOH
residue id #!1/C:609 name HOH
residue id #!1/C:610 name HOH
residue id #!1/G:501 name HOH
residue id #!1/G:502 name HOH
residue id #!1/G:503 name HOH
residue id #!1/G:504 name HOH
residue id #!1/G:505 name HOH
residue id #!1/G:506 name HOH
residue id #!1/G:507 name HOH
residue id #!1/G:508 name HOH
residue id #!1/G:509 name HOH
residue id #!1/G:510 name HOH
residue id #!1/E:601 name HOH
residue id #!1/E:602 name HOH
residue id #!1/E:603 name HOH
residue id #!1/E:604 name HOH
residue id #!1/E:605 name HOH
residue id #!1/E:606 name HOH
residue id #!1/E:607 name HOH
residue id #!1/E:608 name HOH
residue id #!1/E:609 name HOH
residue id #!1/E:610 name HOH
residue id #!1/E:611 name HOH
residue id #!1/E:612 name HOH
residue id #!1/E:613 name HOH
residue id #!1/E:614 name HOH
residue id #!1/E:615 name HOH
residue id #!1/E:616 name HOH
residue id #!1/E:617 name HOH
residue id #!1/E:618 name HOH
residue id #!1/E:619 name HOH
residue id #!1/A:601 name HOH
residue id #!1/A:602 name HOH
residue id #!1/A:603 name HOH
residue id #!1/A:604 name HOH
residue id #!1/A:605 name HOH
residue id #!1/A:606 name HOH
residue id #!1/A:607 name HOH
residue id #!1/A:608 name HOH
residue id #!1/A:609 name HOH
residue id #!1/A:610 name HOH
residue id #!1/A:611 name HOH
residue id #!1/A:612 name HOH
residue id #!1/D:601 name HOH
residue id #!1/D:602 name HOH
residue id #!1/D:603 name HOH
residue id #!1/D:604 name HOH
residue id #!1/D:605 name HOH
residue id #!1/D:606 name HOH
residue id #!1/D:607 name HOH
residue id #!1/D:608 name HOH
residue id #!1/D:609 name HOH
residue id #!1/D:610 name HOH
residue id #!1/D:611 name HOH
residue id #!1/D:612 name HOH
residue id #1.3.1/A:1 name PHE
residue id #1.3.2/A:1 name PHE
residue id #1.3.3/A:1 name PHE
residue id #1.3.4/A:1 name PHE
residue id #1.3.5/A:1 name PHE
residue id #1.3.6/A:1 name PHE
> ui tool show "Add Hydrogens"
> addh #!1
Summary of feedback from adding hydrogens to 6OF8 (1).pdb #!1
---
notes | Termini for 6OF8 (1).pdb (#1) chain A determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain B determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain C determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain D determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain E determined from SEQRES records
2 messages similar to the above omitted
Chain-initial residues that are actual N termini:
Chain-initial residues that are not actual N termini: 6OF8 (1).pdb #!1/A PRO
342, 6OF8 (1).pdb #!1/B HIS 343, 6OF8 (1).pdb #!1/C HIS 343, 6OF8 (1).pdb
#!1/D HIS 343, 6OF8 (1).pdb #!1/D SER 407, 6OF8 (1).pdb #!1/E ARG 346, 6OF8
(1).pdb #!1/F ARG 346, 6OF8 (1).pdb #!1/G HIS 343, 6OF8 (1).pdb #!1/G PRO 409
Chain-final residues that are actual C termini: 6OF8 (1).pdb #!1/E VAL 475
Chain-final residues that are not actual C termini: 6OF8 (1).pdb #!1/A ALA
472, 6OF8 (1).pdb #!1/B ALA 472, 6OF8 (1).pdb #!1/C ALA 472, 6OF8 (1).pdb
#!1/D SER 404, 6OF8 (1).pdb #!1/D SER 474, 6OF8 (1).pdb #!1/F PRO 473, 6OF8
(1).pdb #!1/G TRP 403, 6OF8 (1).pdb #!1/G ALA 472
Missing OXT added to C-terminal residue 6OF8 (1).pdb #!1/E VAL 475
1210 hydrogen bonds
Adding 'H' to 6OF8 (1).pdb #!1/B HIS 343
Adding 'H' to 6OF8 (1).pdb #!1/C HIS 343
Adding 'H' to 6OF8 (1).pdb #!1/D HIS 343
Adding 'H' to 6OF8 (1).pdb #!1/D SER 407
Adding 'H' to 6OF8 (1).pdb #!1/E ARG 346
2 messages similar to the above omitted
6OF8 (1).pdb #!1/A ALA 472 is not terminus, removing H atom from 'C'
6OF8 (1).pdb #!1/B ALA 472 is not terminus, removing H atom from 'C'
6OF8 (1).pdb #!1/C ALA 472 is not terminus, removing H atom from 'C'
6OF8 (1).pdb #!1/D SER 474 is not terminus, removing H atom from 'C'
6OF8 (1).pdb #!1/F PRO 473 is not terminus, removing H atom from 'C'
1 messages similar to the above omitted
7270 hydrogens added
> ui tool show "Minimize Structure"
No structure to minimize
> info models
model id #1 type AtomicStructure name "6OF8 (1).pdb"
model id #1.1 type PseudobondGroup name "metal coordination bonds"
model id #1.2 type PseudobondGroup name "missing structure"
model id #1.3 type Model name "/A TRP 403 rotamers"
model id #1.3.1 type AtomicStructure name "rotamer 1"
model id #1.3.2 type AtomicStructure name "rotamer 2"
model id #1.3.3 type AtomicStructure name "rotamer 3"
model id #1.3.4 type AtomicStructure name "rotamer 4"
model id #1.3.5 type AtomicStructure name "rotamer 5"
model id #1.3.6 type AtomicStructure name "rotamer 6"
model id #2 type PseudobondGroup name "hydrogen bonds"
> hide #2 models
> close #2
> minimize
Multiple structures open
> minimize #1
Expected a keyword
> minimize models #1
Expected a keyword
> ui tool show "Minimize Structure"
> minimize #1 logEnergy true
Expected a keyword
> ui tool show "Minimize Structure"
> minimize #1 logEnergy true
Expected a keyword
> ui tool show "Minimize Structure"
> minimize #1 logEnergy true
Expected a keyword
> ui tool show "Minimize Structure"
> ui tool show "Add Hydrogens"
> close #1.3
> info models
model id #1 type AtomicStructure name "6OF8 (1).pdb"
model id #1.1 type PseudobondGroup name "metal coordination bonds"
model id #1.2 type PseudobondGroup name "missing structure"
> addh
Summary of feedback from adding hydrogens to 6OF8 (1).pdb #1
---
notes | Termini for 6OF8 (1).pdb (#1) chain A determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain B determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain C determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain D determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain E determined from SEQRES records
2 messages similar to the above omitted
Chain-initial residues that are actual N termini:
Chain-initial residues that are not actual N termini: /A PRO 342, /B HIS 343,
/C HIS 343, /D HIS 343, /D SER 407, /E ARG 346, /F ARG 346, /G HIS 343, /G PRO
409
Chain-final residues that are actual C termini: /E VAL 475
Chain-final residues that are not actual C termini: /A ALA 472, /B ALA 472, /C
ALA 472, /D SER 404, /D SER 474, /F PRO 473, /G TRP 403, /G ALA 472
1004 hydrogen bonds
/A ALA 472 is not terminus, removing H atom from 'C'
/B ALA 472 is not terminus, removing H atom from 'C'
/C ALA 472 is not terminus, removing H atom from 'C'
/D SER 474 is not terminus, removing H atom from 'C'
/F PRO 473 is not terminus, removing H atom from 'C'
1 messages similar to the above omitted
0 hydrogens added
> minimize
Starting dock prep
Deleting solvent
Deleting non-metal-complex ions
Deleting non-current alt locs
Deleting residues with incomplete backbones
Summary of feedback from adding hydrogens to 6OF8 (1).pdb #1
---
notes | Termini for 6OF8 (1).pdb (#1) chain A determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain B determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain C determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain D determined from SEQRES records
Termini for 6OF8 (1).pdb (#1) chain E determined from SEQRES records
2 messages similar to the above omitted
Chain-initial residues that are actual N termini:
Chain-initial residues that are not actual N termini: /A PRO 342, /B HIS 343,
/C HIS 343, /D HIS 343, /D SER 407, /E ARG 346, /F ARG 346, /G HIS 343, /G PRO
409
Chain-final residues that are actual C termini: /E VAL 475
Chain-final residues that are not actual C termini: /A ALA 472, /B ALA 472, /C
ALA 472, /D SER 404, /D SER 474, /F PRO 473, /G TRP 403, /G ALA 472
861 hydrogen bonds
/A ALA 472 is not terminus, removing H atom from 'C'
/B ALA 472 is not terminus, removing H atom from 'C'
/C ALA 472 is not terminus, removing H atom from 'C'
/D SER 474 is not terminus, removing H atom from 'C'
/F PRO 473 is not terminus, removing H atom from 'C'
1 messages similar to the above omitted
0 hydrogens added
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue K (net charge +1) with am1-bcc method
Assigning partial charges to residue GOL (net charge +0) with am1-bcc method
3 tautomers of GOL; charging separately
Running ANTECHAMBER command: C:/ChimeraX 1.12/bin/amber20/bin/antechamber -ek
qm_theory='AM1', -i C:\Users\gwshi\AppData\Local\Temp\tmp27bexsfe\ante.in.mol2
-fi mol2 -o C:\Users\gwshi\AppData\Local\Temp\tmp27bexsfe\ante.out.mol2 -fo
mol2 -c bcc -nc 0 -j 5 -s 2 -dr n
(GOL) ``
(GOL) `Welcome to antechamber 20.0: molecular input file processor.`
(GOL) ``
(GOL) `Info: Finished reading file
(C:\Users\gwshi\AppData\Local\Temp\tmp27bexsfe\ante.in.mol2); atoms read (14),
bonds read (13).`
(GOL) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/bondtype" -j part -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/atomtype" -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) `Info: Total number of electrons: 50; net charge: 0`
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/sqm" -O -i sqm.in -o
sqm.out`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/am1bcc" -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p "C:/ChimeraX
1.12/bin/amber20/dat/antechamber/BCCPARM.DAT" -s 2 -j 1`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/atomtype" -f ac -p bcc -o
ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
Charges for residue GOL determined
Running ANTECHAMBER command: C:/ChimeraX 1.12/bin/amber20/bin/antechamber -ek
qm_theory='AM1', -i C:\Users\gwshi\AppData\Local\Temp\tmpalwj0dh4\ante.in.mol2
-fi mol2 -o C:\Users\gwshi\AppData\Local\Temp\tmpalwj0dh4\ante.out.mol2 -fo
mol2 -c bcc -nc 0 -j 5 -s 2 -dr n
(GOL) ``
(GOL) `Welcome to antechamber 20.0: molecular input file processor.`
(GOL) ``
(GOL) `Info: Finished reading file
(C:\Users\gwshi\AppData\Local\Temp\tmpalwj0dh4\ante.in.mol2); atoms read (14),
bonds read (13).`
(GOL) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/bondtype" -j part -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/atomtype" -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) `Info: Total number of electrons: 50; net charge: 0`
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/sqm" -O -i sqm.in -o
sqm.out`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/am1bcc" -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p "C:/ChimeraX
1.12/bin/amber20/dat/antechamber/BCCPARM.DAT" -s 2 -j 1`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/atomtype" -f ac -p bcc -o
ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
Charges for residue GOL determined
Running ANTECHAMBER command: C:/ChimeraX 1.12/bin/amber20/bin/antechamber -ek
qm_theory='AM1', -i C:\Users\gwshi\AppData\Local\Temp\tmpxsb5topw\ante.in.mol2
-fi mol2 -o C:\Users\gwshi\AppData\Local\Temp\tmpxsb5topw\ante.out.mol2 -fo
mol2 -c bcc -nc 0 -j 5 -s 2 -dr n
(GOL) ``
(GOL) `Welcome to antechamber 20.0: molecular input file processor.`
(GOL) ``
(GOL) `Info: Finished reading file
(C:\Users\gwshi\AppData\Local\Temp\tmpxsb5topw\ante.in.mol2); atoms read (14),
bonds read (13).`
(GOL) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/bondtype" -j part -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/atomtype" -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) `Info: Total number of electrons: 50; net charge: 0`
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/sqm" -O -i sqm.in -o
sqm.out`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/am1bcc" -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p "C:/ChimeraX
1.12/bin/amber20/dat/antechamber/BCCPARM.DAT" -s 2 -j 1`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
(GOL) `Running: "C:/ChimeraX 1.12/bin/amber20/bin/atomtype" -f ac -p bcc -o
ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`
(GOL) `bash.exe: warning: could not find /tmp, please create!`
(GOL) ``
Charges for residue GOL determined
1 structure has non-integral total charge.
Details in log.
Here are the structures will non-integral total charge along with the
particular residues from those structures with non-integral total charge:
6OF8 (1).pdb #1: /A GLN 463: -0.4251
Dock prep finished
Traceback (most recent call last):
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\cmd_line\tool.py", line
322, in execute
cmd.run(cmd_text)
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\core\commands\cli.py",
line 3245, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\minimize\cmd.py", line
43, in cmd_minimize
dock_prep_caller(session, [structure], memorize_name="minimization",
nogui=True,
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py", line
146, in dock_prep_caller
run_steps(session, state, structures)
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py", line
161, in run_steps
step_mod.run_for_dock_prep(session, state, run_steps, state['memorization'],
state['memorize_name'],
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\prep.py", line
150, in prep
callback(session, state, structures)
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py", line
161, in run_steps
step_mod.run_for_dock_prep(session, state, run_steps, state['memorization'],
state['memorize_name'],
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\addh\dock_prep.py", line
56, in run_for_dock_prep
callback(session, state, structures)
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py", line
161, in run_steps
step_mod.run_for_dock_prep(session, state, run_steps, state['memorization'],
state['memorize_name'],
File "C:\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\add_charge\dock_prep.py", line 58, in run_for_dock_prep
callback(session, state, structures)
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py", line
156, in run_steps
callback()
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\prep.py", line
149, in <lambda>
state['callback'] = lambda cb=cb, ps=postscript: (ps(), cb())
^^^^
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\minimize\cmd.py", line
45, in <lambda>
steps=max_steps: _minimize(ses, struct, updates, log, steps), **kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\minimize\cmd.py", line
232, in _minimize
system = forcefield.createSystem(top, nonbondedCutoff=1*nanometer,
constraints=HBonds)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ChimeraX 1.12\bin\Lib\site-packages\openmm\app\forcefield.py", line
1279, in createSystem
data.setAtomClasses(self)
File "C:\ChimeraX 1.12\bin\Lib\site-packages\openmm\app\forcefield.py", line
683, in setAtomClasses
self.atomClasses = [classNameForType[self.atomType[atom]] for atom in
self.atoms]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ChimeraX 1.12\bin\Lib\site-packages\openmm\app\forcefield.py", line
683, in <listcomp>
self.atomClasses = [classNameForType[self.atomType[atom]] for atom in
self.atoms]
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^
KeyError: 'N'
KeyError: 'N'
File "C:\ChimeraX 1.12\bin\Lib\site-packages\openmm\app\forcefield.py", line
683, in
self.atomClasses = [classNameForType[self.atomType[atom]] for atom in
self.atoms]
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
OpenGL version: 3.3.0 - Build 31.0.101.5382
OpenGL renderer: Intel(R) Arc(TM) Graphics
OpenGL vendor: Intel
Python: 3.11.9
Locale: ko_KR.cp949
Qt version: PyQt6 6.10.2, Qt 6.10.0
Qt runtime version: 6.10.2
Qt platform: windows
Manufacturer: LG Electronics
Model: 16Z90SP-GA5CK
OS: Microsoft Windows 11 Home (Build 22631.5189)
Memory: 16,671,768,576
MaxProcessMemory: 137,438,953,344
CPU: 18 Intel(R) Core(TM) Ultra 5 125H
OSLanguage: ko-KR
Installed Packages:
accessible-pygments: 0.0.5
aiohappyeyeballs: 2.6.2
aiohttp: 3.13.4
aiosignal: 1.4.0
alabaster: 1.0.0
annotated-types: 0.7.0
anyio: 4.13.0
appdirs: 1.4.4
asttokens: 3.0.1
attrs: 26.1.0
babel: 2.18.0
beautifulsoup4: 4.13.5
blockdiag: 3.0.0
blosc2: 4.4.3
bs4: 0.0.2
build: 1.3.0
certifi: 2026.5.20
cftime: 1.6.5
charset-normalizer: 3.4.7
ChimeraX-AddCharge: 1.5.20
ChimeraX-AddH: 2.2.8
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.2
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 3.2
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: 1.67.1
ChimeraX-AtomicLibrary: 14.4
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: 1.4.1
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.5
ChimeraX-ChemGroup: 2.0.2
ChimeraX-Clashes: 2.4
ChimeraX-Cluster: 1.0
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.3.1
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.12
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: 1.2.2
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: 1.8.2
ChimeraX-Label: 1.5
ChimeraX-LightingGUI: 1.0
ChimeraX-ListInfo: 1.3.1
ChimeraX-Log: 1.2.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.3
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-MatchAlign: 1.2
ChimeraX-MatchMaker: 2.4.1
ChimeraX-MCopy: 1.0
ChimeraX-MCPServer: 0.2.0
ChimeraX-MDcrds: 2.19
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.3.9
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.23
ChimeraX-ModelPanel: 1.6.1
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: 1.15.4
ChimeraX-OpenFold: 1.0
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.13
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: 1.6
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.8.2
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: 3.5.12
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.18
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-SNFG: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.3
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: 2.5.3
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.4
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.50.8
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDock: 1.6.2
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: 8.4.1
colorama: 0.4.6
comm: 0.2.3
comtypes: 1.4.11
contourpy: 1.3.3
coverage: 7.14.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.2.4
debugpy: 1.8.21
decorator: 5.3.1
docutils: 0.21.2
executing: 2.2.1
filelock: 3.19.1
fonttools: 4.63.0
frozenlist: 1.8.0
funcparserlib: 2.0.0a0
glfw: 2.10.0
grako: 3.16.5
h11: 0.16.0
h5py: 3.16.0
html2text: 2025.4.15
httpcore: 1.0.9
httpx: 0.28.1
httpx-sse: 0.4.3
idna: 3.18
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 2.0.0
iniconfig: 2.3.0
ipykernel: 7.1.0
ipython: 9.9.0
ipython_pygments_lexers: 1.1.1
jedi: 0.19.2
Jinja2: 3.1.6
jsonschema: 4.26.0
jsonschema-specifications: 2025.9.1
jupyter_client: 8.8.0
jupyter_core: 5.9.1
kiwisolver: 1.5.0
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: 0.2.2
mcp: 1.18.0
msgpack: 1.1.1
multidict: 6.7.1
narwhals: 2.22.1
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: 2.4.6
numpy: 1.26.4
nvidia-nvjitlink-cu12: 12.9.86
OpenMM: 8.4.0
OpenMM-CUDA-12: 8.4.0
openvr: 1.26.701
packaging: 25.0
ParmEd: 4.2.2
parso: 0.8.7
pep517: 0.13.1
pickleshare: 0.7.5
pillow: 11.3.0
pip: 25.2
pkginfo: 1.12.1.2
platformdirs: 4.10.0
plotly: 6.7.0
plotly: 6.8.0
pluggy: 1.6.0
prompt_toolkit: 3.0.52
propcache: 0.5.2
psutil: 7.0.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pybind11: 3.0.1
pycollada: 0.8
pydantic: 2.13.4
pydantic-settings: 2.14.1
pydantic_core: 2.46.4
pydata-sphinx-theme: 0.18.0
pydicom: 2.4.4
Pygments: 2.18.0
pyKVFinder: 0.9.2
pynmrstar: 3.5.1
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: 6.10.2
PyQt6-Qt6: 6.10.2
PyQt6-WebEngine-commercial: 6.10.0
PyQt6-WebEngine-Qt6: 6.10.2
PyQt6_sip: 13.10.3
pytest: 9.0.3
pytest-cov: 7.1.0
python-dateutil: 2.9.0.post0
python-dotenv: 1.2.2
python-multipart: 0.0.32
pywin32: 311
pyzmq: 27.1.0
qtconsole: 5.7.0
QtPy: 2.4.3
qtshim: 1.2.2
RandomWords: 0.4.0
referencing: 0.37.0
requests: 2.32.5
roman-numerals: 4.1.0
rpds-py: 2026.5.1
scipy: 1.14.0
setuptools: 80.9.0
sfftk-rw: 0.8.1
six: 1.17.0
snowballstemmer: 3.1.1
sortedcontainers: 2.4.0
soupsieve: 2.8.4
Sphinx: 9.0.4
sphinx-autodoc-typehints: 3.6.1
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: 3.4.4
stack-data: 0.6.3
starlette: 1.3.0
superqt: 0.7.6
tables: 3.10.2
tcia_utils: 3.2.1
threadpoolctl: 3.6.0
tifffile: 2025.3.13
tinyarray: 1.2.5
tomlkit: 0.15.0
tornado: 6.5.7
tqdm: 4.68.2
traitlets: 5.14.3
typing-inspection: 0.4.2
typing_extensions: 4.15.0
tzdata: 2026.2
Unidecode: 1.4.0
urllib3: 2.7.0
uvicorn: 0.49.0
wcwidth: 0.8.1
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
WMI: 1.5.1
yarl: 1.24.2
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