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Opened 3 months ago
Closed 2 months ago
#18647 closed defect (duplicate)
Basic Actions: 'QEventLoop' object has no attribute 'exec_'
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | General Controls | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description (last modified by )
The following bug report has been submitted:
Platform: Windows-10-10.0.26100
ChimeraX Version: 1.4 (2022-06-03 23:39:42 UTC)
Description
(Describe the actions that caused this problem to occur here)
Log:
Startup Messages
---
warnings | Unable to find icon for toolbar provider 'Dump Bead Data' in bundle
'ChimeraX-GenomeTools'
Unable to find icon for toolbar provider 'Highlight' in bundle 'ChimeraX-
GenomeTools'
Unable to find icon for toolbar provider 'Bed Models' in bundle 'ChimeraX-
GenomeTools'
Unable to find icon for toolbar provider 'Bead Overlap' in bundle 'ChimeraX-
GenomeTools'
Unable to find icon for toolbar provider 'Genome Distance' in bundle
'ChimeraX-GenomeTools'
1 messages similar to the above omitted
note | Fetching AlphaFold database settings from
https://www.rbvi.ucsf.edu/chimerax/data/status/alphafold_database.json
UCSF ChimeraX version: 1.4 (2022-06-03)
© 2016-2022 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open
> Z:\\\users\\\Alon\\\MD\\\liels\\\8XQO\\\only_CLR\\\analysis\\\watfinder\\\frame0_PROA_TIP3.pdb
Summary of feedback from opening
Z:\\\users\\\Alon\\\MD\\\liels\\\8XQO\\\only_CLR\\\analysis\\\watfinder\\\frame0_PROA_TIP3.pdb
---
warning | Ignored bad PDB record found on line 1
REMARK GENERATED BY TRJCONV
frame0_PROA_TIP3.pdb title:
Generated by trjconv t= 0.00000 step= 0 [more info...]
Chain information for frame0_PROA_TIP3.pdb #1
---
Chain | Description
? | No description available
Non-standard residues in frame0_PROA_TIP3.pdb #1
---
HSD — (HSD)
HSE — (HSE)
QMainWindowLayout::tabPosition called with out-of-bounds value '0'
> select ::name="TIP3"
180960 atoms, 11807 bonds, 60320 residues, 1 model selected
> show sel atoms
> hide sel atoms
> close
> open
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/LF1_docking.cif
Summary of feedback from opening
Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/LF1_docking.cif
---
warnings | Missing entity information. Treating each chain as a separate
entity.
Skipping residue with duplicate label_seq_id 3 in chain S
Skipping residue with duplicate label_seq_id 4 in chain S
Skipping residue with duplicate label_seq_id 4 in chain S
Expected gap or linking atoms for VAL /S:2 and GLY /R:3
Unable to connect VAL /S:2 and GLY /R:3
Skipping residue with duplicate label_seq_id 5 in chain S
Expected gap or linking atoms for GLY /R:3 and VAL /R:4
Unable to connect GLY /R:3 and VAL /R:4
Skipping residue with duplicate label_seq_id 6 in chain S
Skipping residue with duplicate label_seq_id 6 in chain S
Expected gap or linking atoms for VAL /R:4 and ILE /R:5
Unable to connect VAL /R:4 and ILE /R:5
Skipping residue with duplicate label_seq_id 7 in chain S
Expected gap or linking atoms for ILE /R:5 and LYS /R:6
Unable to connect ILE /R:5 and LYS /R:6
Skipping residue with duplicate label_seq_id 8 in chain S
Skipping residue with duplicate label_seq_id 8 in chain S
Skipping residue with duplicate label_seq_id 8 in chain S
Expected gap or linking atoms for LYS /R:6 and SER /S:7
Unable to connect LYS /R:6 and SER /S:7
Skipping residue with duplicate label_seq_id 9 in chain S
Skipping residue with duplicate label_seq_id 9 in chain S
Skipping residue with duplicate label_seq_id 9 in chain S
Expected gap or linking atoms for SER /S:7 and ILE /R:8
Unable to connect SER /S:7 and ILE /R:8
Skipping residue with duplicate label_seq_id 10 in chain S
Skipping residue with duplicate label_seq_id 10 in chain S
Skipping residue with duplicate label_seq_id 10 in chain S
Expected gap or linking atoms for ILE /R:8 and PHE /R:9
Unable to connect ILE /R:8 and PHE /R:9
Skipping residue with duplicate label_seq_id 11 in chain S
Skipping residue with duplicate label_seq_id 11 in chain S
Skipping residue with duplicate label_seq_id 11 in chain S
Expected gap or linking atoms for PHE /R:9 and THR /R:10
Unable to connect PHE /R:9 and THR /R:10
Skipping residue with duplicate label_seq_id 12 in chain S
Expected gap or linking atoms for THR /R:10 and PHE /R:11
Unable to connect THR /R:10 and PHE /R:11
Skipping residue with duplicate label_seq_id 13 in chain S
Skipping residue with duplicate label_seq_id 13 in chain S
Skipping residue with duplicate label_seq_id 13 in chain S
Expected gap or linking atoms for PHE /R:11 and VAL /S:12
Unable to connect PHE /R:11 and VAL /S:12
Skipping residue with duplicate label_seq_id 14 in chain S
Skipping residue with duplicate label_seq_id 14 in chain S
Skipping residue with duplicate label_seq_id 14 in chain S
Expected gap or linking atoms for VAL /S:12 and LEU /R:13
Unable to connect VAL /S:12 and LEU /R:13
Skipping residue with duplicate label_seq_id 15 in chain S
Skipping residue with duplicate label_seq_id 15 in chain S
Skipping residue with duplicate label_seq_id 15 in chain S
Expected gap or linking atoms for LEU /R:13 and ILE /R:14
Unable to connect LEU /R:13 and ILE /R:14
Skipping residue with duplicate label_seq_id 16 in chain S
Skipping residue with duplicate label_seq_id 16 in chain S
Skipping residue with duplicate label_seq_id 16 in chain S
Expected gap or linking atoms for ILE /R:14 and VAL /R:15
Unable to connect ILE /R:14 and VAL /R:15
Skipping residue with duplicate label_seq_id 17 in chain S
Skipping residue with duplicate label_seq_id 17 in chain S
Skipping residue with duplicate label_seq_id 17 in chain S
Unable to connect GLH /R:16 and VAL /R:15
Skipping residue with duplicate label_seq_id 18 in chain S
Skipping residue with duplicate label_seq_id 18 in chain S
Skipping residue with duplicate label_seq_id 18 in chain S
Unable to connect GLH /R:16 and PHE /R:17
Skipping residue with duplicate label_seq_id 19 in chain S
Skipping residue with duplicate label_seq_id 19 in chain S
Expected gap or linking atoms for PHE /R:17 and ILE /R:18
Unable to connect PHE /R:17 and ILE /R:18
Skipping residue with duplicate label_seq_id 20 in chain S
Skipping residue with duplicate label_seq_id 20 in chain S
Skipping residue with duplicate label_seq_id 20 in chain S
Expected gap or linking atoms for ILE /R:18 and ILE /R:19
Unable to connect ILE /R:18 and ILE /R:19
Skipping residue with duplicate label_seq_id 21 in chain S
Skipping residue with duplicate label_seq_id 21 in chain S
Skipping residue with duplicate label_seq_id 21 in chain S
Skipping residue with duplicate label_seq_id 21 in chain S
Expected gap or linking atoms for ILE /R:19 and GLY /R:20
Unable to connect ILE /R:19 and GLY /R:20
Skipping residue with duplicate label_seq_id 22 in chain S
Skipping residue with duplicate label_seq_id 22 in chain S
Skipping residue with duplicate label_seq_id 22 in chain S
Skipping residue with duplicate label_seq_id 22 in chain S
Expected gap or linking atoms for GLY /R:20 and ASN /R:21
Unable to connect GLY /R:20 and ASN /R:21
Skipping residue with duplicate label_seq_id 23 in chain S
Skipping residue with duplicate label_seq_id 23 in chain S
Skipping residue with duplicate label_seq_id 23 in chain S
Skipping residue with duplicate label_seq_id 23 in chain S
Expected gap or linking atoms for ASN /R:21 and LEU /R:22
Unable to connect ASN /R:21 and LEU /R:22
Skipping residue with duplicate label_seq_id 24 in chain S
Skipping residue with duplicate label_seq_id 24 in chain S
Skipping residue with duplicate label_seq_id 24 in chain S
Expected gap or linking atoms for LEU /R:22 and GLY /R:23
Unable to connect LEU /R:22 and GLY /R:23
Skipping residue with duplicate label_seq_id 25 in chain S
Skipping residue with duplicate label_seq_id 25 in chain S
Skipping residue with duplicate label_seq_id 25 in chain S
Expected gap or linking atoms for GLY /R:23 and ASN /G:24
Unable to connect GLY /R:23 and ASN /G:24
Skipping residue with duplicate label_seq_id 26 in chain S
Skipping residue with duplicate label_seq_id 26 in chain S
Skipping residue with duplicate label_seq_id 26 in chain S
Expected gap or linking atoms for ASN /G:24 and SER /S:25
Unable to connect ASN /G:24 and SER /S:25
Skipping residue with duplicate label_seq_id 27 in chain S
Skipping residue with duplicate label_seq_id 27 in chain S
Skipping residue with duplicate label_seq_id 27 in chain S
Skipping residue with duplicate label_seq_id 27 in chain S
Expected gap or linking atoms for SER /S:25 and PHE /R:26
Unable to connect SER /S:25 and PHE /R:26
Skipping residue with duplicate label_seq_id 28 in chain S
Skipping residue with duplicate label_seq_id 28 in chain S
Expected gap or linking atoms for PHE /R:26 and ILE /R:27
Unable to connect PHE /R:26 and ILE /R:27
Skipping residue with duplicate label_seq_id 29 in chain S
Skipping residue with duplicate label_seq_id 29 in chain S
Skipping residue with duplicate label_seq_id 29 in chain S
Skipping residue with duplicate label_seq_id 29 in chain S
Expected gap or linking atoms for ILE /R:27 and ALA /S:28
Unable to connect ILE /R:27 and ALA /S:28
Skipping residue with duplicate label_seq_id 30 in chain S
Skipping residue with duplicate label_seq_id 30 in chain S
Skipping residue with duplicate label_seq_id 30 in chain S
Expected gap or linking atoms for ALA /S:28 and LEU /R:29
Unable to connect ALA /S:28 and LEU /R:29
Skipping residue with duplicate label_seq_id 31 in chain S
Skipping residue with duplicate label_seq_id 31 in chain S
Skipping residue with duplicate label_seq_id 31 in chain S
Expected gap or linking atoms for LEU /R:29 and VAL /G:30
Unable to connect LEU /R:29 and VAL /G:30
Skipping residue with duplicate label_seq_id 32 in chain S
Skipping residue with duplicate label_seq_id 32 in chain S
Skipping residue with duplicate label_seq_id 32 in chain S
Expected gap or linking atoms for VAL /G:30 and ASN /R:31
Unable to connect VAL /G:30 and ASN /R:31
Skipping residue with duplicate label_seq_id 33 in chain S
Skipping residue with duplicate label_seq_id 33 in chain S
Skipping residue with duplicate label_seq_id 33 in chain S
Skipping residue with duplicate label_seq_id 33 in chain S
Expected gap or linking atoms for ASN /R:31 and CYS /R:32
Unable to connect ASN /R:31 and CYS /R:32
Skipping residue with duplicate label_seq_id 34 in chain S
Skipping residue with duplicate label_seq_id 34 in chain S
Skipping residue with duplicate label_seq_id 34 in chain S
Expected gap or linking atoms for CYS /R:32 and ILE /R:33
Unable to connect CYS /R:32 and ILE /R:33
Skipping residue with duplicate label_seq_id 35 in chain S
Skipping residue with duplicate label_seq_id 35 in chain S
Skipping residue with duplicate label_seq_id 35 in chain S
Expected gap or linking atoms for ILE /R:33 and VAL /A:34
Unable to connect ILE /R:33 and VAL /A:34
Skipping residue with duplicate label_seq_id 36 in chain S
Skipping residue with duplicate label_seq_id 36 in chain S
Skipping residue with duplicate label_seq_id 36 in chain S
Skipping residue with duplicate label_seq_id 36 in chain S
Expected gap or linking atoms for VAL /A:34 and TRP /R:35
Unable to connect VAL /A:34 and TRP /R:35
Skipping residue with duplicate label_seq_id 37 in chain S
Skipping residue with duplicate label_seq_id 37 in chain S
Skipping residue with duplicate label_seq_id 37 in chain S
Unable to connect VAL /R:36 and TRP /R:35
Skipping residue with duplicate label_seq_id 38 in chain S
Skipping residue with duplicate label_seq_id 38 in chain S
Skipping residue with duplicate label_seq_id 38 in chain S
Skipping residue with duplicate label_seq_id 38 in chain S
Skipping residue with duplicate label_seq_id 39 in chain S
2 messages similar to the above omitted
Unable to connect LYS /R:37 and GLY /R:38
Skipping residue with duplicate label_seq_id 40 in chain S
Skipping residue with duplicate label_seq_id 40 in chain S
Skipping residue with duplicate label_seq_id 40 in chain S
Expected gap or linking atoms for GLY /R:38 and ARG /B:39
Unable to connect GLY /R:38 and ARG /B:39
Skipping residue with duplicate label_seq_id 41 in chain S
Skipping residue with duplicate label_seq_id 41 in chain S
Skipping residue with duplicate label_seq_id 41 in chain S
Unable to connect LYS /R:40 and ARG /B:39
Skipping residue with duplicate label_seq_id 42 in chain S
Skipping residue with duplicate label_seq_id 42 in chain S
Skipping residue with duplicate label_seq_id 42 in chain S
Unable to connect LYS /R:40 and ILE /R:41
Skipping residue with duplicate label_seq_id 43 in chain S
Skipping residue with duplicate label_seq_id 43 in chain S
Skipping residue with duplicate label_seq_id 43 in chain S
Expected gap or linking atoms for ILE /R:41 and SER /R:42
Unable to connect ILE /R:41 and SER /R:42
Skipping residue with duplicate label_seq_id 44 in chain S
Skipping residue with duplicate label_seq_id 44 in chain S
Skipping residue with duplicate label_seq_id 44 in chain S
Skipping residue with duplicate label_seq_id 44 in chain S
Expected gap or linking atoms for SER /R:42 and SER /R:43
Unable to connect SER /R:42 and SER /R:43
Skipping residue with duplicate label_seq_id 45 in chain S
Skipping residue with duplicate label_seq_id 45 in chain S
Skipping residue with duplicate label_seq_id 45 in chain S
Expected gap or linking atoms for SER /R:43 and VAL /R:44
Unable to connect SER /R:43 and VAL /R:44
Skipping residue with duplicate label_seq_id 46 in chain S
Skipping residue with duplicate label_seq_id 46 in chain S
Skipping residue with duplicate label_seq_id 46 in chain S
Expected gap or linking atoms for VAL /R:44 and ASP /R:45
Unable to connect VAL /R:44 and ASP /R:45
Skipping residue with duplicate label_seq_id 47 in chain S
Skipping residue with duplicate label_seq_id 47 in chain S
Skipping residue with duplicate label_seq_id 47 in chain S
Skipping residue with duplicate label_seq_id 47 in chain S
Expected gap or linking atoms for ASP /R:45 and ARG /R:46
Unable to connect ASP /R:45 and ARG /R:46
Skipping residue with duplicate label_seq_id 48 in chain S
Skipping residue with duplicate label_seq_id 48 in chain S
Skipping residue with duplicate label_seq_id 48 in chain S
Skipping residue with duplicate label_seq_id 48 in chain S
Expected gap or linking atoms for ARG /R:46 and ILE /R:47
Unable to connect ARG /R:46 and ILE /R:47
Skipping residue with duplicate label_seq_id 49 in chain S
Skipping residue with duplicate label_seq_id 49 in chain S
Skipping residue with duplicate label_seq_id 49 in chain S
Skipping residue with duplicate label_seq_id 49 in chain S
Expected gap or linking atoms for ILE /R:47 and LEU /R:48
Unable to connect ILE /R:47 and LEU /R:48
Skipping residue with duplicate label_seq_id 50 in chain S
Skipping residue with duplicate label_seq_id 50 in chain S
Skipping residue with duplicate label_seq_id 50 in chain S
Skipping residue with duplicate label_seq_id 50 in chain S
Expected gap or linking atoms for LEU /R:48 and THR /R:49
Unable to connect LEU /R:48 and THR /R:49
Skipping residue with duplicate label_seq_id 51 in chain S
Skipping residue with duplicate label_seq_id 51 in chain S
Skipping residue with duplicate label_seq_id 51 in chain S
Expected gap or linking atoms for THR /R:49 and ALA /R:50
Unable to connect THR /R:49 and ALA /R:50
Skipping residue with duplicate label_seq_id 52 in chain S
Skipping residue with duplicate label_seq_id 52 in chain S
Skipping residue with duplicate label_seq_id 52 in chain S
Skipping residue with duplicate label_seq_id 52 in chain S
Expected gap or linking atoms for ALA /R:50 and LEU /G:51
Unable to connect ALA /R:50 and LEU /G:51
Skipping residue with duplicate label_seq_id 53 in chain S
Skipping residue with duplicate label_seq_id 53 in chain S
Skipping residue with duplicate label_seq_id 53 in chain S
Skipping residue with duplicate label_seq_id 53 in chain S
Expected gap or linking atoms for LEU /G:51 and ALA /R:52
Unable to connect LEU /G:51 and ALA /R:52
Skipping residue with duplicate label_seq_id 54 in chain S
Skipping residue with duplicate label_seq_id 54 in chain S
Skipping residue with duplicate label_seq_id 54 in chain S
Skipping residue with duplicate label_seq_id 54 in chain S
Expected gap or linking atoms for ALA /R:52 and ILE /R:53
Unable to connect ALA /R:52 and ILE /R:53
Skipping residue with duplicate label_seq_id 55 in chain S
Skipping residue with duplicate label_seq_id 55 in chain S
Skipping residue with duplicate label_seq_id 55 in chain S
Skipping residue with duplicate label_seq_id 55 in chain S
Expected gap or linking atoms for ILE /R:53 and SER /R:54
Unable to connect ILE /R:53 and SER /R:54
Skipping residue with duplicate label_seq_id 56 in chain S
Skipping residue with duplicate label_seq_id 56 in chain S
Skipping residue with duplicate label_seq_id 56 in chain S
Expected gap or linking atoms for SER /R:54 and ARG /R:55
Unable to connect SER /R:54 and ARG /R:55
Skipping residue with duplicate label_seq_id 57 in chain S
Skipping residue with duplicate label_seq_id 57 in chain S
Expected gap or linking atoms for ARG /R:55 and ILE /A:56
Unable to connect ARG /R:55 and ILE /A:56
Skipping residue with duplicate label_seq_id 58 in chain S
Skipping residue with duplicate label_seq_id 58 in chain S
Skipping residue with duplicate label_seq_id 58 in chain S
Expected gap or linking atoms for ILE /A:56 and SER /G:57
Unable to connect ILE /A:56 and SER /G:57
Skipping residue with duplicate label_seq_id 59 in chain S
Skipping residue with duplicate label_seq_id 59 in chain S
Skipping residue with duplicate label_seq_id 59 in chain S
Expected gap or linking atoms for SER /G:57 and LEU /R:58
Unable to connect SER /G:57 and LEU /R:58
Skipping residue with duplicate label_seq_id 60 in chain S
Skipping residue with duplicate label_seq_id 60 in chain S
Skipping residue with duplicate label_seq_id 60 in chain S
Expected gap or linking atoms for LEU /R:58 and VAL /R:59
Unable to connect LEU /R:58 and VAL /R:59
Skipping residue with duplicate label_seq_id 61 in chain S
Skipping residue with duplicate label_seq_id 61 in chain S
Skipping residue with duplicate label_seq_id 61 in chain S
Expected gap or linking atoms for VAL /R:59 and TRP /R:60
Unable to connect VAL /R:59 and TRP /R:60
Skipping residue with duplicate label_seq_id 62 in chain S
Skipping residue with duplicate label_seq_id 62 in chain S
Skipping residue with duplicate label_seq_id 62 in chain S
Expected gap or linking atoms for TRP /R:60 and LEU /R:61
Unable to connect TRP /R:60 and LEU /R:61
Skipping residue with duplicate label_seq_id 63 in chain S
Skipping residue with duplicate label_seq_id 63 in chain S
Skipping residue with duplicate label_seq_id 63 in chain S
Expected gap or linking atoms for LEU /R:61 and ILE /R:62
Unable to connect LEU /R:61 and ILE /R:62
Skipping residue with duplicate label_seq_id 64 in chain S
Skipping residue with duplicate label_seq_id 64 in chain S
Skipping residue with duplicate label_seq_id 64 in chain S
Expected gap or linking atoms for ILE /R:62 and PHE /R:63
Unable to connect ILE /R:62 and PHE /R:63
Skipping residue with duplicate label_seq_id 65 in chain S
Skipping residue with duplicate label_seq_id 65 in chain S
Expected gap or linking atoms for PHE /R:63 and GLY /R:64
Unable to connect PHE /R:63 and GLY /R:64
Skipping residue with duplicate label_seq_id 66 in chain S
Skipping residue with duplicate label_seq_id 66 in chain S
Skipping residue with duplicate label_seq_id 66 in chain S
Skipping residue with duplicate label_seq_id 66 in chain S
Expected gap or linking atoms for GLY /R:64 and SER /R:65
Unable to connect GLY /R:64 and SER /R:65
Skipping residue with duplicate label_seq_id 67 in chain S
Skipping residue with duplicate label_seq_id 67 in chain S
Expected gap or linking atoms for SER /R:65 and TRP /R:66
Unable to connect SER /R:65 and TRP /R:66
Skipping residue with duplicate label_seq_id 68 in chain S
Skipping residue with duplicate label_seq_id 68 in chain S
Skipping residue with duplicate label_seq_id 68 in chain S
Expected gap or linking atoms for TRP /R:66 and CYS /R:67
Unable to connect TRP /R:66 and CYS /R:67
Skipping residue with duplicate label_seq_id 69 in chain S
Skipping residue with duplicate label_seq_id 69 in chain S
Skipping residue with duplicate label_seq_id 69 in chain S
Expected gap or linking atoms for CYS /R:67 and VAL /R:68
Unable to connect CYS /R:67 and VAL /R:68
Skipping residue with duplicate label_seq_id 70 in chain S
Skipping residue with duplicate label_seq_id 70 in chain S
Expected gap or linking atoms for VAL /R:68 and SER /R:69
Unable to connect VAL /R:68 and SER /R:69
Skipping residue with duplicate label_seq_id 71 in chain S
Skipping residue with duplicate label_seq_id 71 in chain S
Skipping residue with duplicate label_seq_id 71 in chain S
Expected gap or linking atoms for SER /R:69 and VAL /R:70
Unable to connect SER /R:69 and VAL /R:70
Skipping residue with duplicate label_seq_id 72 in chain S
Skipping residue with duplicate label_seq_id 72 in chain S
Skipping residue with duplicate label_seq_id 72 in chain S
Expected gap or linking atoms for VAL /R:70 and PHE /R:71
Unable to connect VAL /R:70 and PHE /R:71
Skipping residue with duplicate label_seq_id 73 in chain S
Skipping residue with duplicate label_seq_id 73 in chain S
Skipping residue with duplicate label_seq_id 73 in chain S
Expected gap or linking atoms for PHE /R:71 and PHE /R:72
Unable to connect PHE /R:71 and PHE /R:72
Skipping residue with duplicate label_seq_id 74 in chain S
Skipping residue with duplicate label_seq_id 74 in chain S
Skipping residue with duplicate label_seq_id 74 in chain S
Expected gap or linking atoms for PHE /R:72 and PRO /R:73
Unable to connect PHE /R:72 and PRO /R:73
Skipping residue with duplicate label_seq_id 75 in chain S
Skipping residue with duplicate label_seq_id 75 in chain S
Skipping residue with duplicate label_seq_id 75 in chain S
Expected gap or linking atoms for PRO /R:73 and ALA /R:74
Unable to connect PRO /R:73 and ALA /R:74
Skipping residue with duplicate label_seq_id 76 in chain S
Skipping residue with duplicate label_seq_id 76 in chain S
Expected gap or linking atoms for ALA /R:74 and LEU /R:75
Unable to connect ALA /R:74 and LEU /R:75
Skipping residue with duplicate label_seq_id 77 in chain S
Skipping residue with duplicate label_seq_id 77 in chain S
Expected gap or linking atoms for LEU /R:75 and PHE /A:76
Unable to connect LEU /R:75 and PHE /A:76
Skipping residue with duplicate label_seq_id 78 in chain S
Skipping residue with duplicate label_seq_id 78 in chain S
Expected gap or linking atoms for PHE /A:76 and ALA /B:77
Unable to connect PHE /A:76 and ALA /B:77
Skipping residue with duplicate label_seq_id 79 in chain S
Expected gap or linking atoms for ALA /B:77 and THR /S:78
Unable to connect ALA /B:77 and THR /S:78
Skipping residue with duplicate label_seq_id 80 in chain S
Skipping residue with duplicate label_seq_id 80 in chain S
Skipping residue with duplicate label_seq_id 80 in chain S
Expected gap or linking atoms for THR /S:78 and GLU /R:79
Unable to connect THR /S:78 and GLU /R:79
Skipping residue with duplicate label_seq_id 81 in chain S
Skipping residue with duplicate label_seq_id 81 in chain S
Skipping residue with duplicate label_seq_id 81 in chain S
Expected gap or linking atoms for GLU /R:79 and LYS /R:80
Unable to connect GLU /R:79 and LYS /R:80
Skipping residue with duplicate label_seq_id 82 in chain S
Skipping residue with duplicate label_seq_id 82 in chain S
Skipping residue with duplicate label_seq_id 82 in chain S
Expected gap or linking atoms for LYS /R:80 and MET /R:81
Unable to connect LYS /R:80 and MET /R:81
Skipping residue with duplicate label_seq_id 83 in chain S
Skipping residue with duplicate label_seq_id 83 in chain S
Expected gap or linking atoms for MET /R:81 and PHE /R:82
Unable to connect MET /R:81 and PHE /R:82
Skipping residue with duplicate label_seq_id 84 in chain S
Skipping residue with duplicate label_seq_id 84 in chain S
Skipping residue with duplicate label_seq_id 84 in chain S
Expected gap or linking atoms for PHE /R:82 and ARG /R:83
Unable to connect PHE /R:82 and ARG /R:83
Skipping residue with duplicate label_seq_id 85 in chain S
Skipping residue with duplicate label_seq_id 85 in chain S
Skipping residue with duplicate label_seq_id 85 in chain S
Unable to connect MET /R:84 and ARG /R:83
Skipping residue with duplicate label_seq_id 86 in chain S
Skipping residue with duplicate label_seq_id 86 in chain S
Unable to connect MET /R:84 and LEU /R:85
Skipping residue with duplicate label_seq_id 87 in chain S
Skipping residue with duplicate label_seq_id 87 in chain S
Skipping residue with duplicate label_seq_id 87 in chain S
Expected gap or linking atoms for LEU /R:85 and THR /R:86
Unable to connect LEU /R:85 and THR /R:86
Skipping residue with duplicate label_seq_id 88 in chain S
Skipping residue with duplicate label_seq_id 88 in chain S
Skipping residue with duplicate label_seq_id 88 in chain S
Expected gap or linking atoms for THR /R:86 and ASN /R:87
Unable to connect THR /R:86 and ASN /R:87
Skipping residue with duplicate label_seq_id 89 in chain S
Skipping residue with duplicate label_seq_id 89 in chain S
Skipping residue with duplicate label_seq_id 89 in chain S
Expected gap or linking atoms for ASN /R:87 and ILE /R:88
Unable to connect ASN /R:87 and ILE /R:88
Skipping residue with duplicate label_seq_id 90 in chain S
Skipping residue with duplicate label_seq_id 90 in chain S
Skipping residue with duplicate label_seq_id 90 in chain S
Expected gap or linking atoms for ILE /R:88 and TRP /R:89
Unable to connect ILE /R:88 and TRP /R:89
Skipping residue with duplicate label_seq_id 91 in chain S
Skipping residue with duplicate label_seq_id 91 in chain S
Expected gap or linking atoms for TRP /R:89 and THR /R:90
Unable to connect TRP /R:89 and THR /R:90
Skipping residue with duplicate label_seq_id 92 in chain S
Skipping residue with duplicate label_seq_id 92 in chain S
Skipping residue with duplicate label_seq_id 92 in chain S
Expected gap or linking atoms for THR /R:90 and VAL /R:91
Unable to connect THR /R:90 and VAL /R:91
Skipping residue with duplicate label_seq_id 93 in chain S
Skipping residue with duplicate label_seq_id 93 in chain S
Skipping residue with duplicate label_seq_id 93 in chain S
Expected gap or linking atoms for VAL /R:91 and ILE /R:92
Unable to connect VAL /R:91 and ILE /R:92
Skipping residue with duplicate label_seq_id 94 in chain S
Skipping residue with duplicate label_seq_id 94 in chain S
Expected gap or linking atoms for ILE /R:92 and ASN /R:93
Unable to connect ILE /R:92 and ASN /R:93
Skipping residue with duplicate label_seq_id 95 in chain S
Skipping residue with duplicate label_seq_id 95 in chain S
Unable to connect LYS /A:94 and ASN /R:93
Skipping residue with duplicate label_seq_id 96 in chain S
Skipping residue with duplicate label_seq_id 96 in chain S
Skipping residue with duplicate label_seq_id 96 in chain S
Unable to connect LYS /A:94 and PHE /R:95
Skipping residue with duplicate label_seq_id 97 in chain S
Expected gap or linking atoms for PHE /R:95 and SER /R:96
Unable to connect PHE /R:95 and SER /R:96
Skipping residue with duplicate label_seq_id 98 in chain S
Skipping residue with duplicate label_seq_id 98 in chain S
Skipping residue with duplicate label_seq_id 98 in chain S
Expected gap or linking atoms for SER /R:96 and VAL /S:97
Unable to connect SER /R:96 and VAL /S:97
Skipping residue with duplicate label_seq_id 99 in chain S
Skipping residue with duplicate label_seq_id 99 in chain S
Skipping residue with duplicate label_seq_id 99 in chain S
Expected gap or linking atoms for VAL /S:97 and TRP /R:98
Unable to connect VAL /S:97 and TRP /R:98
Skipping residue with duplicate label_seq_id 100 in chain S
Skipping residue with duplicate label_seq_id 100 in chain S
Skipping residue with duplicate label_seq_id 100 in chain S
Expected gap or linking atoms for TRP /R:98 and LEU /R:99
Unable to connect TRP /R:98 and LEU /R:99
Skipping residue with duplicate label_seq_id 101 in chain S
Skipping residue with duplicate label_seq_id 101 in chain S
Skipping residue with duplicate label_seq_id 101 in chain S
Expected gap or linking atoms for LEU /R:99 and ALA /R:100
Unable to connect LEU /R:99 and ALA /R:100
Skipping residue with duplicate label_seq_id 102 in chain S
Skipping residue with duplicate label_seq_id 102 in chain S
Expected gap or linking atoms for ALA /R:100 and THR /R:101
Unable to connect ALA /R:100 and THR /R:101
Skipping residue with duplicate label_seq_id 103 in chain S
Skipping residue with duplicate label_seq_id 103 in chain S
Skipping residue with duplicate label_seq_id 103 in chain S
Expected gap or linking atoms for THR /R:101 and GLY /R:102
Unable to connect THR /R:101 and GLY /R:102
Skipping residue with duplicate label_seq_id 104 in chain S
Expected gap or linking atoms for GLY /R:102 and LEU /R:103
Unable to connect GLY /R:102 and LEU /R:103
Skipping residue with duplicate label_seq_id 105 in chain S
Skipping residue with duplicate label_seq_id 105 in chain S
Skipping residue with duplicate label_seq_id 105 in chain S
Expected gap or linking atoms for LEU /R:103 and GLY /S:104
Unable to connect LEU /R:103 and GLY /S:104
Skipping residue with duplicate label_seq_id 106 in chain S
Skipping residue with duplicate label_seq_id 106 in chain S
Skipping residue with duplicate label_seq_id 106 in chain S
Expected gap or linking atoms for GLY /S:104 and THR /R:105
Unable to connect GLY /S:104 and THR /R:105
Skipping residue with duplicate label_seq_id 107 in chain S
Skipping residue with duplicate label_seq_id 107 in chain S
Skipping residue with duplicate label_seq_id 107 in chain S
Expected gap or linking atoms for THR /R:105 and PHE /R:106
Unable to connect THR /R:105 and PHE /R:106
Expected gap or linking atoms for PHE /R:106 and TYR /R:107
Unable to connect PHE /R:106 and TYR /R:107
Skipping residue with duplicate label_seq_id 109 in chain S
Skipping residue with duplicate label_seq_id 109 in chain S
Skipping residue with duplicate label_seq_id 109 in chain S
Expected gap or linking atoms for TYR /R:107 and PHE /S:108
Unable to connect TYR /R:107 and PHE /S:108
Skipping residue with duplicate label_seq_id 110 in chain S
Skipping residue with duplicate label_seq_id 110 in chain S
Skipping residue with duplicate label_seq_id 110 in chain S
Expected gap or linking atoms for PHE /S:108 and LEU /R:109
Unable to connect PHE /S:108 and LEU /R:109
Skipping residue with duplicate label_seq_id 111 in chain S
Skipping residue with duplicate label_seq_id 111 in chain S
Skipping residue with duplicate label_seq_id 111 in chain S
Expected gap or linking atoms for LEU /R:109 and LYS /R:110
Unable to connect LEU /R:109 and LYS /R:110
Skipping residue with duplicate label_seq_id 112 in chain S
Skipping residue with duplicate label_seq_id 112 in chain S
Expected gap or linking atoms for LYS /R:110 and ILE /R:111
Unable to connect LYS /R:110 and ILE /R:111
Skipping residue with duplicate label_seq_id 113 in chain S
Skipping residue with duplicate label_seq_id 113 in chain S
Skipping residue with duplicate label_seq_id 113 in chain S
Expected gap or linking atoms for ILE /R:111 and ALA /R:112
Unable to connect ILE /R:111 and ALA /R:112
Skipping residue with duplicate label_seq_id 114 in chain S
Skipping residue with duplicate label_seq_id 114 in chain S
Skipping residue with duplicate label_seq_id 114 in chain S
Expected gap or linking atoms for ALA /R:112 and ASN /R:113
Unable to connect ALA /R:112 and ASN /R:113
Skipping residue with duplicate label_seq_id 115 in chain S
Skipping residue with duplicate label_seq_id 115 in chain S
Expected gap or linking atoms for ASN /R:113 and PHE /R:114
Unable to connect ASN /R:113 and PHE /R:114
Skipping residue with duplicate label_seq_id 116 in chain S
Skipping residue with duplicate label_seq_id 116 in chain S
Expected gap or linking atoms for PHE /R:114 and SER /B:115
Unable to connect PHE /R:114 and SER /B:115
Skipping residue with duplicate label_seq_id 117 in chain S
Skipping residue with duplicate label_seq_id 117 in chain S
Skipping residue with duplicate label_seq_id 117 in chain S
Expected gap or linking atoms for SER /B:115 and ASN /A:116
Unable to connect SER /B:115 and ASN /A:116
Skipping residue with duplicate label_seq_id 118 in chain S
Skipping residue with duplicate label_seq_id 118 in chain S
Expected gap or linking atoms for ASN /A:116 and SER /R:117
Unable to connect ASN /A:116 and SER /R:117
Skipping residue with duplicate label_seq_id 119 in chain S
Skipping residue with duplicate label_seq_id 119 in chain S
Expected gap or linking atoms for SER /R:117 and ILE /R:118
Unable to connect SER /R:117 and ILE /R:118
Skipping residue with duplicate label_seq_id 120 in chain S
Skipping residue with duplicate label_seq_id 120 in chain S
Skipping residue with duplicate label_seq_id 120 in chain S
Expected gap or linking atoms for ILE /R:118 and PHE /R:119
Unable to connect ILE /R:118 and PHE /R:119
Skipping residue with duplicate label_seq_id 121 in chain S
Skipping residue with duplicate label_seq_id 121 in chain S
Expected gap or linking atoms for PHE /R:119 and LEU /R:120
Unable to connect PHE /R:119 and LEU /R:120
Skipping residue with duplicate label_seq_id 122 in chain S
Expected gap or linking atoms for LEU /R:120 and TYR /R:121
Unable to connect LEU /R:120 and TYR /R:121
Skipping residue with duplicate label_seq_id 123 in chain S
Expected gap or linking atoms for TYR /R:121 and LEU /A:122
Unable to connect TYR /R:121 and LEU /A:122
Skipping residue with duplicate label_seq_id 124 in chain S
Skipping residue with duplicate label_seq_id 124 in chain S
Skipping residue with duplicate label_seq_id 124 in chain S
Expected gap or linking atoms for LEU /A:122 and LYS /R:123
Unable to connect LEU /A:122 and LYS /R:123
Skipping residue with duplicate label_seq_id 125 in chain S
Skipping residue with duplicate label_seq_id 125 in chain S
Skipping residue with duplicate label_seq_id 125 in chain S
Expected gap or linking atoms for LYS /R:123 and TRP /R:124
Unable to connect LYS /R:123 and TRP /R:124
Skipping residue with duplicate label_seq_id 126 in chain S
Skipping residue with duplicate label_seq_id 126 in chain S
Skipping residue with duplicate label_seq_id 126 in chain S
Expected gap or linking atoms for TRP /R:124 and ARG /R:125
Unable to connect TRP /R:124 and ARG /R:125
Skipping residue with duplicate label_seq_id 127 in chain S
Skipping residue with duplicate label_seq_id 127 in chain S
Skipping residue with duplicate label_seq_id 127 in chain S
Expected gap or linking atoms for ARG /R:125 and VAL /R:126
Unable to connect ARG /R:125 and VAL /R:126
Skipping residue with duplicate label_seq_id 128 in chain S
Skipping residue with duplicate label_seq_id 128 in chain S
Skipping residue with duplicate label_seq_id 128 in chain S
Expected gap or linking atoms for VAL /R:126 and LYS /R:127
Unable to connect VAL /R:126 and LYS /R:127
Skipping residue with duplicate label_seq_id 129 in chain S
Skipping residue with duplicate label_seq_id 129 in chain S
Unable to connect LYS /R:128 and LYS /R:127
Skipping residue with duplicate label_seq_id 130 in chain S
Skipping residue with duplicate label_seq_id 130 in chain S
Skipping residue with duplicate label_seq_id 130 in chain S
Unable to connect LYS /R:128 and VAL /B:129
Skipping residue with duplicate label_seq_id 131 in chain S
Skipping residue with duplicate label_seq_id 131 in chain S
Expected gap or linking atoms for VAL /B:129 and VAL /R:130
Unable to connect VAL /B:129 and VAL /R:130
Skipping residue with duplicate label_seq_id 132 in chain S
Skipping residue with duplicate label_seq_id 132 in chain S
Skipping residue with duplicate label_seq_id 132 in chain S
Expected gap or linking atoms for VAL /R:130 and LEU /R:131
Unable to connect VAL /R:130 and LEU /R:131
Skipping residue with duplicate label_seq_id 133 in chain S
Skipping residue with duplicate label_seq_id 133 in chain S
Skipping residue with duplicate label_seq_id 133 in chain S
Expected gap or linking atoms for LEU /R:131 and VAL /R:132
Unable to connect LEU /R:131 and VAL /R:132
Skipping residue with duplicate label_seq_id 134 in chain S
Skipping residue with duplicate label_seq_id 134 in chain S
Expected gap or linking atoms for VAL /R:132 and LEU /R:133
Unable to connect VAL /R:132 and LEU /R:133
Skipping residue with duplicate label_seq_id 135 in chain S
Skipping residue with duplicate label_seq_id 135 in chain S
Skipping residue with duplicate label_seq_id 135 in chain S
Expected gap or linking atoms for LEU /R:133 and LEU /B:134
Unable to connect LEU /R:133 and LEU /B:134
Skipping residue with duplicate label_seq_id 136 in chain S
Skipping residue with duplicate label_seq_id 136 in chain S
Skipping residue with duplicate label_seq_id 136 in chain S
Expected gap or linking atoms for LEU /B:134 and LEU /R:135
Unable to connect LEU /B:134 and LEU /R:135
Skipping residue with duplicate label_seq_id 137 in chain S
Skipping residue with duplicate label_seq_id 137 in chain S
Expected gap or linking atoms for LEU /R:135 and VAL /R:136
Unable to connect LEU /R:135 and VAL /R:136
Skipping residue with duplicate label_seq_id 138 in chain S
Skipping residue with duplicate label_seq_id 138 in chain S
Expected gap or linking atoms for VAL /R:136 and THR /A:137
Unable to connect VAL /R:136 and THR /A:137
Skipping residue with duplicate label_seq_id 139 in chain S
Skipping residue with duplicate label_seq_id 139 in chain S
Skipping residue with duplicate label_seq_id 139 in chain S
Expected gap or linking atoms for THR /A:137 and SER /A:138
Unable to connect THR /A:137 and SER /A:138
Skipping residue with duplicate label_seq_id 140 in chain S
Skipping residue with duplicate label_seq_id 140 in chain S
Skipping residue with duplicate label_seq_id 140 in chain S
Expected gap or linking atoms for SER /A:138 and VAL /R:139
Unable to connect SER /A:138 and VAL /R:139
Skipping residue with duplicate label_seq_id 141 in chain S
Skipping residue with duplicate label_seq_id 141 in chain S
Expected gap or linking atoms for VAL /R:139 and PHE /R:140
Unable to connect VAL /R:139 and PHE /R:140
Skipping residue with duplicate label_seq_id 142 in chain S
Skipping residue with duplicate label_seq_id 142 in chain S
Expected gap or linking atoms for PHE /R:140 and LEU /A:141
Unable to connect PHE /R:140 and LEU /A:141
Skipping residue with duplicate label_seq_id 143 in chain S
Expected gap or linking atoms for LEU /A:141 and PHE /A:142
Unable to connect LEU /A:141 and PHE /A:142
Skipping residue with duplicate label_seq_id 144 in chain S
Skipping residue with duplicate label_seq_id 144 in chain S
Expected gap or linking atoms for PHE /A:142 and LEU /B:143
Unable to connect PHE /A:142 and LEU /B:143
Skipping residue with duplicate label_seq_id 145 in chain S
Skipping residue with duplicate label_seq_id 145 in chain S
Expected gap or linking atoms for LEU /B:143 and ASN /A:144
Unable to connect LEU /B:143 and ASN /A:144
Skipping residue with duplicate label_seq_id 146 in chain S
Skipping residue with duplicate label_seq_id 146 in chain S
Skipping residue with duplicate label_seq_id 146 in chain S
Expected gap or linking atoms for ASN /A:144 and ILE /S:145
Unable to connect ASN /A:144 and ILE /S:145
Skipping residue with duplicate label_seq_id 147 in chain S
Skipping residue with duplicate label_seq_id 147 in chain S
Skipping residue with duplicate label_seq_id 147 in chain S
Expected gap or linking atoms for ILE /S:145 and ALA /R:146
Unable to connect ILE /S:145 and ALA /R:146
Skipping residue with duplicate label_seq_id 148 in chain S
Skipping residue with duplicate label_seq_id 148 in chain S
Expected gap or linking atoms for ALA /R:146 and LEU /R:147
Unable to connect ALA /R:146 and LEU /R:147
Skipping residue with duplicate label_seq_id 149 in chain S
Skipping residue with duplicate label_seq_id 149 in chain S
Expected gap or linking atoms for LEU /R:147 and ILE /A:148
Unable to connect LEU /R:147 and ILE /A:148
Skipping residue with duplicate label_seq_id 150 in chain S
Skipping residue with duplicate label_seq_id 150 in chain S
Skipping residue with duplicate label_seq_id 150 in chain S
Expected gap or linking atoms for ILE /A:148 and ASN /B:149
Unable to connect ILE /A:148 and ASN /B:149
Skipping residue with duplicate label_seq_id 151 in chain S
Skipping residue with duplicate label_seq_id 151 in chain S
Skipping residue with duplicate label_seq_id 151 in chain S
Expected gap or linking atoms for ASN /B:149 and ILE /R:150
Unable to connect ASN /B:149 and ILE /R:150
Skipping residue with duplicate label_seq_id 152 in chain S
Skipping residue with duplicate label_seq_id 152 in chain S
Skipping residue with duplicate label_seq_id 152 in chain S
Expected gap or linking atoms for ILE /R:150 and HIS /R:151
Unable to connect ILE /R:150 and HIS /R:151
Skipping residue with duplicate label_seq_id 153 in chain S
Skipping residue with duplicate label_seq_id 153 in chain S
Skipping residue with duplicate label_seq_id 153 in chain S
Expected gap or linking atoms for HIS /R:151 and ILE /R:152
Unable to connect HIS /R:151 and ILE /R:152
Skipping residue with duplicate label_seq_id 154 in chain S
Skipping residue with duplicate label_seq_id 154 in chain S
Skipping residue with duplicate label_seq_id 154 in chain S
Expected gap or linking atoms for ILE /R:152 and ASN /R:153
Unable to connect ILE /R:152 and ASN /R:153
Skipping residue with duplicate label_seq_id 155 in chain S
Skipping residue with duplicate label_seq_id 155 in chain S
Expected gap or linking atoms for ASN /R:153 and ALA /R:154
Unable to connect ASN /R:153 and ALA /R:154
Skipping residue with duplicate label_seq_id 156 in chain S
Skipping residue with duplicate label_seq_id 156 in chain S
Skipping residue with duplicate label_seq_id 156 in chain S
Expected gap or linking atoms for ALA /R:154 and SER /R:155
Unable to connect ALA /R:154 and SER /R:155
Skipping residue with duplicate label_seq_id 157 in chain S
Unable to connect ILE /R:156 and SER /R:155
Skipping residue with duplicate label_seq_id 158 in chain S
Skipping residue with duplicate label_seq_id 159 in chain S
Skipping residue with duplicate label_seq_id 159 in chain S
Unable to connect ASN /R:157 and GLY /S:158
Skipping residue with duplicate label_seq_id 160 in chain S
Expected gap or linking atoms for GLY /S:158 and SER /A:159
Unable to connect GLY /S:158 and SER /A:159
Skipping residue with duplicate label_seq_id 161 in chain S
Skipping residue with duplicate label_seq_id 161 in chain S
Expected gap or linking atoms for SER /A:159 and ILE /A:160
Unable to connect SER /A:159 and ILE /A:160
Skipping residue with duplicate label_seq_id 162 in chain S
Skipping residue with duplicate label_seq_id 162 in chain S
Expected gap or linking atoms for ILE /A:160 and CYS /A:161
Unable to connect ILE /A:160 and CYS /A:161
Skipping residue with duplicate label_seq_id 163 in chain S
Skipping residue with duplicate label_seq_id 163 in chain S
Expected gap or linking atoms for CYS /A:161 and PHE /A:162
Unable to connect CYS /A:161 and PHE /A:162
Skipping residue with duplicate label_seq_id 164 in chain S
Skipping residue with duplicate label_seq_id 164 in chain S
Expected gap or linking atoms for PHE /A:162 and PRO /A:163
Unable to connect PHE /A:162 and PRO /A:163
Skipping residue with duplicate label_seq_id 165 in chain S
Skipping residue with duplicate label_seq_id 165 in chain S
Unable to connect GLU /A:164 and PRO /A:163
Skipping residue with duplicate label_seq_id 166 in chain S
Skipping residue with duplicate label_seq_id 166 in chain S
Skipping residue with duplicate label_seq_id 167 in chain S
Skipping residue with duplicate label_seq_id 167 in chain S
Unable to connect TYR /A:165 and THR /A:166
Skipping residue with duplicate label_seq_id 168 in chain S
Skipping residue with duplicate label_seq_id 168 in chain S
Expected gap or linking atoms for THR /A:166 and GLY /A:167
Unable to connect THR /A:166 and GLY /A:167
Skipping residue with duplicate label_seq_id 169 in chain S
Skipping residue with duplicate label_seq_id 169 in chain S
Expected gap or linking atoms for GLY /A:167 and PRO /A:168
Unable to connect GLY /A:167 and PRO /A:168
Skipping residue with duplicate label_seq_id 170 in chain S
Skipping residue with duplicate label_seq_id 170 in chain S
Expected gap or linking atoms for PRO /A:168 and ASN /A:169
Unable to connect PRO /A:168 and ASN /A:169
Skipping residue with duplicate label_seq_id 171 in chain S
Skipping residue with duplicate label_seq_id 171 in chain S
Skipping residue with duplicate label_seq_id 171 in chain S
Expected gap or linking atoms for ASN /A:169 and THR /A:170
Unable to connect ASN /A:169 and THR /A:170
Skipping residue with duplicate label_seq_id 172 in chain S
Skipping residue with duplicate label_seq_id 172 in chain S
Skipping residue with duplicate label_seq_id 172 in chain S
Unable to connect ASN /R:171 and THR /A:170
Skipping residue with duplicate label_seq_id 173 in chain S
Skipping residue with duplicate label_seq_id 173 in chain S
Skipping residue with duplicate label_seq_id 173 in chain S
Unable to connect ASN /R:171 and PHE /R:172
Skipping residue with duplicate label_seq_id 174 in chain S
Skipping residue with duplicate label_seq_id 174 in chain S
Skipping residue with duplicate label_seq_id 174 in chain S
Unable to connect THR /R:173 and PHE /R:172
Skipping residue with duplicate label_seq_id 175 in chain S
Skipping residue with duplicate label_seq_id 175 in chain S
Skipping residue with duplicate label_seq_id 175 in chain S
Skipping residue with duplicate label_seq_id 176 in chain S
Skipping residue with duplicate label_seq_id 176 in chain S
3 messages similar to the above omitted
Unable to connect PHE /R:175 and SER /R:176
Skipping residue with duplicate label_seq_id 178 in chain S
Skipping residue with duplicate label_seq_id 178 in chain S
Skipping residue with duplicate label_seq_id 178 in chain S
Expected gap or linking atoms for SER /R:176 and SER /B:177
Unable to connect SER /R:176 and SER /B:177
Skipping residue with duplicate label_seq_id 179 in chain S
Skipping residue with duplicate label_seq_id 179 in chain S
Skipping residue with duplicate label_seq_id 179 in chain S
Expected gap or linking atoms for SER /B:177 and LEU /R:178
Unable to connect SER /B:177 and LEU /R:178
Skipping residue with duplicate label_seq_id 180 in chain S
Skipping residue with duplicate label_seq_id 180 in chain S
Skipping residue with duplicate label_seq_id 180 in chain S
Expected gap or linking atoms for LEU /R:178 and ILE /R:179
Unable to connect LEU /R:178 and ILE /R:179
Skipping residue with duplicate label_seq_id 181 in chain S
Skipping residue with duplicate label_seq_id 181 in chain S
Skipping residue with duplicate label_seq_id 181 in chain S
Expected gap or linking atoms for ILE /R:179 and VAL /R:180
Unable to connect ILE /R:179 and VAL /R:180
Skipping residue with duplicate label_seq_id 182 in chain S
Skipping residue with duplicate label_seq_id 182 in chain S
Unable to connect LEU /R:181 and VAL /R:180
Skipping residue with duplicate label_seq_id 183 in chain S
Skipping residue with duplicate label_seq_id 183 in chain S
Unable to connect LEU /R:181 and THR /B:182
Skipping residue with duplicate label_seq_id 184 in chain S
Skipping residue with duplicate label_seq_id 184 in chain S
Expected gap or linking atoms for THR /B:182 and SER /R:183
Unable to connect THR /B:182 and SER /R:183
Skipping residue with duplicate label_seq_id 185 in chain S
Skipping residue with duplicate label_seq_id 185 in chain S
Expected gap or linking atoms for SER /R:183 and THR /R:184
Unable to connect SER /R:183 and THR /R:184
Skipping residue with duplicate label_seq_id 186 in chain S
Skipping residue with duplicate label_seq_id 186 in chain S
Skipping residue with duplicate label_seq_id 186 in chain S
Expected gap or linking atoms for THR /R:184 and VAL /R:185
Unable to connect THR /R:184 and VAL /R:185
Skipping residue with duplicate label_seq_id 187 in chain S
Skipping residue with duplicate label_seq_id 187 in chain S
Skipping residue with duplicate label_seq_id 187 in chain S
Expected gap or linking atoms for VAL /R:185 and PHE /R:186
Unable to connect VAL /R:185 and PHE /R:186
Skipping residue with duplicate label_seq_id 188 in chain S
Skipping residue with duplicate label_seq_id 188 in chain S
Skipping residue with duplicate label_seq_id 188 in chain S
Expected gap or linking atoms for PHE /R:186 and ILE /R:187
Unable to connect PHE /R:186 and ILE /R:187
Skipping residue with duplicate label_seq_id 189 in chain S
Skipping residue with duplicate label_seq_id 189 in chain S
Skipping residue with duplicate label_seq_id 189 in chain S
Expected gap or linking atoms for ILE /R:187 and PHE /R:188
Unable to connect ILE /R:187 and PHE /R:188
Skipping residue with duplicate label_seq_id 190 in chain S
Skipping residue with duplicate label_seq_id 190 in chain S
Skipping residue with duplicate label_seq_id 190 in chain S
Expected gap or linking atoms for PHE /R:188 and ILE /R:189
Unable to connect PHE /R:188 and ILE /R:189
Skipping residue with duplicate label_seq_id 191 in chain S
Skipping residue with duplicate label_seq_id 191 in chain S
Expected gap or linking atoms for ILE /R:189 and PRO /R:190
Unable to connect ILE /R:189 and PRO /R:190
Skipping residue with duplicate label_seq_id 192 in chain S
Skipping residue with duplicate label_seq_id 192 in chain S
Skipping residue with duplicate label_seq_id 192 in chain S
Expected gap or linking atoms for PRO /R:190 and PHE /S:191
Unable to connect PRO /R:190 and PHE /S:191
Skipping residue with duplicate label_seq_id 193 in chain S
Skipping residue with duplicate label_seq_id 193 in chain S
Skipping residue with duplicate label_seq_id 193 in chain S
Expected gap or linking atoms for PHE /S:191 and THR /R:192
Unable to connect PHE /S:191 and THR /R:192
Skipping residue with duplicate label_seq_id 194 in chain S
Skipping residue with duplicate label_seq_id 194 in chain S
Expected gap or linking atoms for THR /R:192 and LEU /R:193
Unable to connect THR /R:192 and LEU /R:193
Skipping residue with duplicate label_seq_id 195 in chain S
Skipping residue with duplicate label_seq_id 195 in chain S
Skipping residue with duplicate label_seq_id 195 in chain S
Expected gap or linking atoms for LEU /R:193 and SER /S:194
Unable to connect LEU /R:193 and SER /S:194
Skipping residue with duplicate label_seq_id 196 in chain S
Skipping residue with duplicate label_seq_id 196 in chain S
Expected gap or linking atoms for SER /S:194 and LEU /R:195
Unable to connect SER /S:194 and LEU /R:195
Skipping residue with duplicate label_seq_id 197 in chain S
Skipping residue with duplicate label_seq_id 197 in chain S
Skipping residue with duplicate label_seq_id 197 in chain S
Expected gap or linking atoms for LEU /R:195 and ALA /R:196
Unable to connect LEU /R:195 and ALA /R:196
Skipping residue with duplicate label_seq_id 198 in chain S
Skipping residue with duplicate label_seq_id 198 in chain S
Expected gap or linking atoms for ALA /R:196 and MET /R:197
Unable to connect ALA /R:196 and MET /R:197
Skipping residue with duplicate label_seq_id 199 in chain S
Skipping residue with duplicate label_seq_id 199 in chain S
Skipping residue with duplicate label_seq_id 199 in chain S
Expected gap or linking atoms for MET /R:197 and PHE /R:198
Unable to connect MET /R:197 and PHE /R:198
Skipping residue with duplicate label_seq_id 200 in chain S
Skipping residue with duplicate label_seq_id 200 in chain S
Skipping residue with duplicate label_seq_id 200 in chain S
Expected gap or linking atoms for PHE /R:198 and LEU /R:199
Unable to connect PHE /R:198 and LEU /R:199
Skipping residue with duplicate label_seq_id 201 in chain S
Skipping residue with duplicate label_seq_id 201 in chain S
Expected gap or linking atoms for LEU /R:199 and LEU /R:200
Unable to connect LEU /R:199 and LEU /R:200
Skipping residue with duplicate label_seq_id 202 in chain S
Skipping residue with duplicate label_seq_id 202 in chain S
Skipping residue with duplicate label_seq_id 202 in chain S
Expected gap or linking atoms for LEU /R:200 and LEU /R:201
Unable to connect LEU /R:200 and LEU /R:201
Skipping residue with duplicate label_seq_id 203 in chain S
Skipping residue with duplicate label_seq_id 203 in chain S
Expected gap or linking atoms for LEU /R:201 and ILE /R:202
Unable to connect LEU /R:201 and ILE /R:202
Skipping residue with duplicate label_seq_id 204 in chain S
Skipping residue with duplicate label_seq_id 204 in chain S
Skipping residue with duplicate label_seq_id 204 in chain S
Expected gap or linking atoms for ILE /R:202 and PHE /R:203
Unable to connect ILE /R:202 and PHE /R:203
Skipping residue with duplicate label_seq_id 205 in chain S
Skipping residue with duplicate label_seq_id 205 in chain S
Expected gap or linking atoms for PHE /R:203 and SER /R:204
Unable to connect PHE /R:203 and SER /R:204
Skipping residue with duplicate label_seq_id 206 in chain S
Skipping residue with duplicate label_seq_id 206 in chain S
Skipping residue with duplicate label_seq_id 206 in chain S
Expected gap or linking atoms for SER /R:204 and MET /B:205
Unable to connect SER /R:204 and MET /B:205
Skipping residue with duplicate label_seq_id 207 in chain S
Skipping residue with duplicate label_seq_id 207 in chain S
Expected gap or linking atoms for MET /B:205 and TRP /R:206
Unable to connect MET /B:205 and TRP /R:206
Skipping residue with duplicate label_seq_id 208 in chain S
Skipping residue with duplicate label_seq_id 208 in chain S
Expected gap or linking atoms for TRP /R:206 and LYS /R:207
Unable to connect TRP /R:206 and LYS /R:207
Skipping residue with duplicate label_seq_id 209 in chain S
Skipping residue with duplicate label_seq_id 209 in chain S
Skipping residue with duplicate label_seq_id 209 in chain S
Expected gap or linking atoms for LYS /R:207 and LYS /A:208
Unable to connect LYS /R:207 and LYS /A:208
Skipping residue with duplicate label_seq_id 210 in chain S
Skipping residue with duplicate label_seq_id 210 in chain S
Skipping residue with duplicate label_seq_id 210 in chain S
Expected gap or linking atoms for LYS /A:208 and ARG /R:209
Unable to connect LYS /A:208 and ARG /R:209
Skipping residue with duplicate label_seq_id 211 in chain S
Skipping residue with duplicate label_seq_id 211 in chain S
Skipping residue with duplicate label_seq_id 211 in chain S
Unable to connect LYS /R:210 and ARG /R:209
Skipping residue with duplicate label_seq_id 212 in chain S
Skipping residue with duplicate label_seq_id 212 in chain S
Skipping residue with duplicate label_seq_id 213 in chain S
Skipping residue with duplicate label_seq_id 213 in chain S
Skipping residue with duplicate label_seq_id 213 in chain S
Unable to connect LYS /R:211 and MET /R:212
Skipping residue with duplicate label_seq_id 214 in chain S
Skipping residue with duplicate label_seq_id 214 in chain S
Unable to connect GLN /R:213 and MET /R:212
Skipping residue with duplicate label_seq_id 215 in chain S
Skipping residue with duplicate label_seq_id 215 in chain S
Skipping residue with duplicate label_seq_id 216 in chain S
Skipping residue with duplicate label_seq_id 216 in chain S
Unable to connect HIS /R:214 and THR /A:215
Skipping residue with duplicate label_seq_id 217 in chain S
Skipping residue with duplicate label_seq_id 217 in chain S
Expected gap or linking atoms for THR /A:215 and ASP /A:216
Unable to connect THR /A:215 and ASP /A:216
Skipping residue with duplicate label_seq_id 218 in chain S
Skipping residue with duplicate label_seq_id 218 in chain S
Expected gap or linking atoms for ASP /A:216 and ILE /A:217
Unable to connect ASP /A:216 and ILE /A:217
Skipping residue with duplicate label_seq_id 219 in chain S
Skipping residue with duplicate label_seq_id 219 in chain S
Expected gap or linking atoms for ILE /A:217 and ILE /A:218
Unable to connect ILE /A:217 and ILE /A:218
Skipping residue with duplicate label_seq_id 220 in chain S
Skipping residue with duplicate label_seq_id 220 in chain S
Expected gap or linking atoms for ILE /A:218 and ILE /A:219
Unable to connect ILE /A:218 and ILE /A:219
Skipping residue with duplicate label_seq_id 221 in chain S
Skipping residue with duplicate label_seq_id 221 in chain S
Expected gap or linking atoms for ILE /A:219 and LYS /A:220
Unable to connect ILE /A:219 and LYS /A:220
Skipping residue with duplicate label_seq_id 222 in chain S
Skipping residue with duplicate label_seq_id 222 in chain S
Expected gap or linking atoms for LYS /A:220 and GLU /A:221
Unable to connect LYS /A:220 and GLU /A:221
Skipping residue with duplicate label_seq_id 223 in chain S
Skipping residue with duplicate label_seq_id 223 in chain S
Skipping residue with duplicate label_seq_id 223 in chain S
Expected gap or linking atoms for GLU /A:221 and ASN /A:222
Unable to connect GLU /A:221 and ASN /A:222
Skipping residue with duplicate label_seq_id 224 in chain S
Skipping residue with duplicate label_seq_id 224 in chain S
Skipping residue with duplicate label_seq_id 224 in chain S
Expected gap or linking atoms for ASN /A:222 and SER /R:223
Unable to connect ASN /A:222 and SER /R:223
Skipping residue with duplicate label_seq_id 225 in chain S
Skipping residue with duplicate label_seq_id 225 in chain S
Skipping residue with duplicate label_seq_id 225 in chain S
Expected gap or linking atoms for SER /R:223 and THR /R:224
Unable to connect SER /R:223 and THR /R:224
Skipping residue with duplicate label_seq_id 226 in chain S
Skipping residue with duplicate label_seq_id 226 in chain S
Skipping residue with duplicate label_seq_id 226 in chain S
Unable to connect LYS /R:225 and THR /R:224
Skipping residue with duplicate label_seq_id 227 in chain S
Skipping residue with duplicate label_seq_id 227 in chain S
Skipping residue with duplicate label_seq_id 227 in chain S
Unable to connect LYS /R:225 and ALA /R:226
Skipping residue with duplicate label_seq_id 228 in chain S
Skipping residue with duplicate label_seq_id 228 in chain S
Skipping residue with duplicate label_seq_id 228 in chain S
Unable to connect HIS /R:227 and ALA /R:226
Skipping residue with duplicate label_seq_id 229 in chain S
Skipping residue with duplicate label_seq_id 229 in chain S
Skipping residue with duplicate label_seq_id 229 in chain S
Unable to connect HIS /R:227 and ARG /R:228
Skipping residue with duplicate label_seq_id 230 in chain S
Expected gap or linking atoms for ARG /R:228 and GLY /R:229
Unable to connect ARG /R:228 and GLY /R:229
Skipping residue with duplicate label_seq_id 231 in chain S
Skipping residue with duplicate label_seq_id 231 in chain S
Expected gap or linking atoms for GLY /R:229 and VAL /B:230
Unable to connect GLY /R:229 and VAL /B:230
Skipping residue with duplicate label_seq_id 232 in chain S
Skipping residue with duplicate label_seq_id 232 in chain S
Expected gap or linking atoms for VAL /B:230 and LYS /R:231
Unable to connect VAL /B:230 and LYS /R:231
Skipping residue with duplicate label_seq_id 233 in chain S
Skipping residue with duplicate label_seq_id 233 in chain S
Expected gap or linking atoms for LYS /R:231 and SER /R:232
Unable to connect LYS /R:231 and SER /R:232
Skipping residue with duplicate label_seq_id 234 in chain S
Skipping residue with duplicate label_seq_id 234 in chain S
Expected gap or linking atoms for SER /R:232 and VAL /R:233
Unable to connect SER /R:232 and VAL /R:233
Skipping residue with duplicate label_seq_id 235 in chain S
Skipping residue with duplicate label_seq_id 235 in chain S
Expected gap or linking atoms for VAL /R:233 and ILE /R:234
Unable to connect VAL /R:233 and ILE /R:234
Skipping residue with duplicate label_seq_id 236 in chain S
Expected gap or linking atoms for ILE /R:234 and THR /R:235
Unable to connect ILE /R:234 and THR /R:235
Skipping residue with duplicate label_seq_id 237 in chain S
Expected gap or linking atoms for THR /R:235 and PHE /R:236
Unable to connect THR /R:235 and PHE /R:236
Skipping residue with duplicate label_seq_id 238 in chain S
Expected gap or linking atoms for PHE /R:236 and PHE /R:237
Unable to connect PHE /R:236 and PHE /R:237
Skipping residue with duplicate label_seq_id 239 in chain S
Expected gap or linking atoms for PHE /R:237 and LEU /R:238
Unable to connect PHE /R:237 and LEU /R:238
Skipping residue with duplicate label_seq_id 240 in chain S
Expected gap or linking atoms for LEU /R:238 and LEU /R:239
Unable to connect LEU /R:238 and LEU /R:239
Skipping residue with duplicate label_seq_id 241 in chain S
Expected gap or linking atoms for LEU /R:239 and TYR /R:240
Unable to connect LEU /R:239 and TYR /R:240
Skipping residue with duplicate label_seq_id 242 in chain S
Expected gap or linking atoms for TYR /R:240 and ALA /R:241
Unable to connect TYR /R:240 and ALA /R:241
Skipping residue with duplicate label_seq_id 243 in chain S
Expected gap or linking atoms for ALA /R:241 and ILE /R:242
Unable to connect ALA /R:241 and ILE /R:242
Expected gap or linking atoms for ILE /R:242 and PHE /R:243
Unable to connect ILE /R:242 and PHE /R:243
Skipping residue with duplicate label_seq_id 245 in chain S
Expected gap or linking atoms for PHE /R:243 and SER /B:244
Unable to connect PHE /R:243 and SER /B:244
Skipping residue with duplicate label_seq_id 246 in chain S
Expected gap or linking atoms for SER /B:244 and LEU /R:245
Unable to connect SER /B:244 and LEU /R:245
Skipping residue with duplicate label_seq_id 247 in chain S
Expected gap or linking atoms for LEU /R:245 and SER /R:246
Unable to connect LEU /R:245 and SER /R:246
Skipping residue with duplicate label_seq_id 248 in chain S
Expected gap or linking atoms for SER /R:246 and PHE /R:247
Unable to connect SER /R:246 and PHE /R:247
Expected gap or linking atoms for PHE /R:247 and PHE /R:248
Unable to connect PHE /R:247 and PHE /R:248
Skipping residue with duplicate label_seq_id 250 in chain S
Expected gap or linking atoms for PHE /R:248 and ILE /B:249
Unable to connect PHE /R:248 and ILE /B:249
Skipping residue with duplicate label_seq_id 251 in chain S
Expected gap or linking atoms for ILE /B:249 and SER /R:250
Unable to connect ILE /B:249 and SER /R:250
Skipping residue with duplicate label_seq_id 252 in chain S
Expected gap or linking atoms for SER /R:250 and VAL /R:251
Unable to connect SER /R:250 and VAL /R:251
Skipping residue with duplicate label_seq_id 253 in chain S
Expected gap or linking atoms for VAL /R:251 and TRP /R:252
Unable to connect VAL /R:251 and TRP /R:252
Expected gap or linking atoms for TRP /R:252 and THR /R:253
Unable to connect TRP /R:252 and THR /R:253
Expected gap or linking atoms for THR /R:253 and ASN /B:254
Unable to connect THR /R:253 and ASN /B:254
Expected gap or linking atoms for ASN /B:254 and GLY /B:255
Unable to connect ASN /B:254 and GLY /B:255
Expected gap or linking atoms for GLY /B:255 and ASN /B:256
Unable to connect GLY /B:255 and ASN /B:256
Skipping residue with duplicate label_seq_id 258 in chain S
Expected gap or linking atoms for ASN /B:256 and ALA /B:257
Unable to connect ASN /B:256 and ALA /B:257
Skipping residue with duplicate label_seq_id 259 in chain S
Expected gap or linking atoms for ALA /B:257 and GLU /R:258
Unable to connect ALA /B:257 and GLU /R:258
Skipping residue with duplicate label_seq_id 260 in chain S
Unable to connect GLU /R:259 and GLU /R:258
Skipping residue with duplicate label_seq_id 261 in chain S
Unable to connect GLU /R:259 and ASN /R:260
Skipping residue with duplicate label_seq_id 262 in chain S
Expected gap or linking atoms for ASN /R:260 and LEU /R:261
Unable to connect ASN /R:260 and LEU /R:261
Skipping residue with duplicate label_seq_id 263 in chain S
Expected gap or linking atoms for LEU /R:261 and ILE /R:262
Unable to connect LEU /R:261 and ILE /R:262
Skipping residue with duplicate label_seq_id 264 in chain S
Expected gap or linking atoms for ILE /R:262 and ILE /R:263
Unable to connect ILE /R:262 and ILE /R:263
Skipping residue with duplicate label_seq_id 265 in chain S
Expected gap or linking atoms for ILE /R:263 and LEU /R:264
Unable to connect ILE /R:263 and LEU /R:264
Skipping residue with duplicate label_seq_id 266 in chain S
Expected gap or linking atoms for LEU /R:264 and SER /R:265
Unable to connect LEU /R:264 and SER /R:265
Skipping residue with duplicate label_seq_id 267 in chain S
Expected gap or linking atoms for SER /R:265 and GLN /R:266
Unable to connect SER /R:265 and GLN /R:266
Skipping residue with duplicate label_seq_id 268 in chain S
Expected gap or linking atoms for GLN /R:266 and VAL /R:267
Unable to connect GLN /R:266 and VAL /R:267
Skipping residue with duplicate label_seq_id 269 in chain S
Expected gap or linking atoms for VAL /R:267 and MET /R:268
Unable to connect VAL /R:267 and MET /R:268
Skipping residue with duplicate label_seq_id 270 in chain S
Expected gap or linking atoms for MET /R:268 and GLY /R:269
Unable to connect MET /R:268 and GLY /R:269
Skipping residue with duplicate label_seq_id 271 in chain S
Expected gap or linking atoms for GLY /R:269 and MET /R:270
Unable to connect GLY /R:269 and MET /R:270
Skipping residue with duplicate label_seq_id 272 in chain S
Expected gap or linking atoms for MET /R:270 and ALA /R:271
Unable to connect MET /R:270 and ALA /R:271
Skipping residue with duplicate label_seq_id 273 in chain S
Expected gap or linking atoms for ALA /R:271 and TYR /R:272
Unable to connect ALA /R:271 and TYR /R:272
Skipping residue with duplicate label_seq_id 274 in chain S
Expected gap or linking atoms for TYR /R:272 and PRO /R:273
Unable to connect TYR /R:272 and PRO /R:273
Skipping residue with duplicate label_seq_id 275 in chain S
Expected gap or linking atoms for PRO /R:273 and SER /R:274
Unable to connect PRO /R:273 and SER /R:274
Expected gap or linking atoms for SER /R:274 and CYS /R:275
Unable to connect SER /R:274 and CYS /R:275
Skipping residue with duplicate label_seq_id 277 in chain S
Expected gap or linking atoms for CYS /R:275 and GLN /B:276
Unable to connect CYS /R:275 and GLN /B:276
Skipping residue with duplicate label_seq_id 278 in chain S
Expected gap or linking atoms for GLN /B:276 and SER /R:277
Unable to connect GLN /B:276 and SER /R:277
Skipping residue with duplicate label_seq_id 279 in chain S
Expected gap or linking atoms for SER /R:277 and CYS /R:278
Unable to connect SER /R:277 and CYS /R:278
Skipping residue with duplicate label_seq_id 280 in chain S
Expected gap or linking atoms for CYS /R:278 and VAL /R:279
Unable to connect CYS /R:278 and VAL /R:279
Skipping residue with duplicate label_seq_id 281 in chain S
Expected gap or linking atoms for VAL /R:279 and LEU /R:280
Unable to connect VAL /R:279 and LEU /R:280
Skipping residue with duplicate label_seq_id 282 in chain S
Expected gap or linking atoms for LEU /R:280 and ILE /R:281
Unable to connect LEU /R:280 and ILE /R:281
Expected gap or linking atoms for ILE /R:281 and LEU /R:282
Unable to connect ILE /R:281 and LEU /R:282
Skipping residue with duplicate label_seq_id 284 in chain S
Expected gap or linking atoms for LEU /R:282 and GLY /R:283
Unable to connect LEU /R:282 and GLY /R:283
Skipping residue with duplicate label_seq_id 285 in chain S
Expected gap or linking atoms for GLY /R:283 and ASN /R:284
Unable to connect GLY /R:283 and ASN /R:284
Skipping residue with duplicate label_seq_id 286 in chain S
Expected gap or linking atoms for ASN /R:284 and LYS /R:285
Unable to connect ASN /R:284 and LYS /R:285
Skipping residue with duplicate label_seq_id 287 in chain S
Expected gap or linking atoms for LYS /R:285 and LYS /R:286
Unable to connect LYS /R:285 and LYS /R:286
Skipping residue with duplicate label_seq_id 288 in chain S
Expected gap or linking atoms for LYS /R:286 and LEU /R:287
Unable to connect LYS /R:286 and LEU /R:287
Skipping residue with duplicate label_seq_id 289 in chain S
Expected gap or linking atoms for LEU /R:287 and ARG /R:288
Unable to connect LEU /R:287 and ARG /R:288
Skipping residue with duplicate label_seq_id 290 in chain S
Expected gap or linking atoms for ARG /R:288 and GLN /R:289
Unable to connect ARG /R:288 and GLN /R:289
Skipping residue with duplicate label_seq_id 291 in chain S
Expected gap or linking atoms for GLN /R:289 and ALA /R:290
Unable to connect GLN /R:289 and ALA /R:290
Skipping residue with duplicate label_seq_id 292 in chain S
Expected gap or linking atoms for ALA /R:290 and SER /R:291
Unable to connect ALA /R:290 and SER /R:291
Skipping residue with duplicate label_seq_id 293 in chain S
Expected gap or linking atoms for SER /R:291 and LEU /R:292
Unable to connect SER /R:291 and LEU /R:292
Skipping residue with duplicate label_seq_id 294 in chain S
Expected gap or linking atoms for LEU /R:292 and SER /R:293
Unable to connect LEU /R:292 and SER /R:293
Skipping residue with duplicate label_seq_id 295 in chain S
Expected gap or linking atoms for SER /R:293 and VAL /R:294
Unable to connect SER /R:293 and VAL /R:294
Skipping residue with duplicate label_seq_id 296 in chain S
Expected gap or linking atoms for VAL /R:294 and LEU /R:295
Unable to connect VAL /R:294 and LEU /R:295
Skipping residue with duplicate label_seq_id 297 in chain S
Expected gap or linking atoms for LEU /R:295 and LEU /R:296
Unable to connect LEU /R:295 and LEU /R:296
Skipping residue with duplicate label_seq_id 298 in chain S
Unable to connect TRP /R:297 and LEU /R:296
Skipping residue with duplicate label_seq_id 299 in chain S
Skipping residue with duplicate label_seq_id 300 in chain S
Skipping residue with duplicate label_seq_id 301 in chain S
Skipping residue with duplicate label_seq_id 302 in chain S
Skipping residue with duplicate label_seq_id 303 in chain S
Unable to connect LYS /R:303 and ALA /B:304
Expected gap or linking atoms for ALA /B:304 and GLY /B:305
Unable to connect ALA /B:304 and GLY /B:305
Expected gap or linking atoms for GLY /B:305 and TYR /B:306
Unable to connect GLY /B:305 and TYR /B:306
Expected gap or linking atoms for TYR /B:306 and ASP /B:307
Unable to connect TYR /B:306 and ASP /B:307
Expected gap or linking atoms for ASP /B:307 and ASP /B:308
Unable to connect ASP /B:307 and ASP /B:308
Expected gap or linking atoms for ASP /B:308 and PHE /B:309
Unable to connect ASP /B:308 and PHE /B:309
Expected gap or linking atoms for PHE /B:309 and ASN /B:310
Unable to connect PHE /B:309 and ASN /B:310
Expected gap or linking atoms for ASN /B:310 and CYS /B:311
Unable to connect ASN /B:310 and CYS /B:311
Expected gap or linking atoms for CYS /B:311 and ASN /B:312
Unable to connect CYS /B:311 and ASN /B:312
Expected gap or linking atoms for ASN /B:312 and VAL /B:313
Unable to connect ASN /B:312 and VAL /B:313
Expected gap or linking atoms for VAL /B:313 and TRP /B:314
Unable to connect VAL /B:313 and TRP /B:314
Expected gap or linking atoms for TRP /B:314 and ASP /B:315
Unable to connect TRP /B:314 and ASP /B:315
Expected gap or linking atoms for ASP /B:315 and ALA /B:316
Unable to connect ASP /B:315 and ALA /B:316
Expected gap or linking atoms for ALA /B:316 and LEU /B:317
Unable to connect ALA /B:316 and LEU /B:317
Expected gap or linking atoms for LEU /B:317 and LYS /B:318
Unable to connect LEU /B:317 and LYS /B:318
Expected gap or linking atoms for LYS /B:318 and ALA /B:319
Unable to connect LYS /B:318 and ALA /B:319
Expected gap or linking atoms for ALA /B:319 and ASP /B:320
Unable to connect ALA /B:319 and ASP /B:320
Expected gap or linking atoms for ASP /B:320 and ARG /B:321
Unable to connect ASP /B:320 and ARG /B:321
Expected gap or linking atoms for ARG /B:321 and ALA /B:322
Unable to connect ARG /B:321 and ALA /B:322
Expected gap or linking atoms for ALA /B:322 and GLY /B:323
Unable to connect ALA /B:322 and GLY /B:323
Expected gap or linking atoms for GLY /B:323 and VAL /B:324
Unable to connect GLY /B:323 and VAL /B:324
Expected gap or linking atoms for VAL /B:324 and LEU /B:325
Unable to connect VAL /B:324 and LEU /B:325
Expected gap or linking atoms for LEU /B:325 and ALA /B:326
Unable to connect LEU /B:325 and ALA /B:326
Expected gap or linking atoms for ALA /B:326 and GLY /B:327
Unable to connect ALA /B:326 and GLY /B:327
Expected gap or linking atoms for GLY /B:327 and HIS /B:328
Unable to connect GLY /B:327 and HIS /B:328
Expected gap or linking atoms for HIS /B:328 and ASP /B:329
Unable to connect HIS /B:328 and ASP /B:329
Expected gap or linking atoms for ASP /B:329 and ASN /B:330
Unable to connect ASP /B:329 and ASN /B:330
Expected gap or linking atoms for ASN /B:330 and ARG /B:331
Unable to connect ASN /B:330 and ARG /B:331
Expected gap or linking atoms for ARG /B:331 and VAL /B:332
Unable to connect ARG /B:331 and VAL /B:332
Expected gap or linking atoms for VAL /B:332 and SER /B:333
Unable to connect VAL /B:332 and SER /B:333
Expected gap or linking atoms for SER /B:333 and CYS /B:334
Unable to connect SER /B:333 and CYS /B:334
Expected gap or linking atoms for CYS /B:334 and LEU /B:335
Unable to connect CYS /B:334 and LEU /B:335
Expected gap or linking atoms for LEU /B:335 and GLY /B:336
Unable to connect LEU /B:335 and GLY /B:336
Expected gap or linking atoms for GLY /B:336 and VAL /B:337
Unable to connect GLY /B:336 and VAL /B:337
Expected gap or linking atoms for VAL /B:337 and THR /B:338
Unable to connect VAL /B:337 and THR /B:338
Expected gap or linking atoms for THR /B:338 and ASP /B:339
Unable to connect THR /B:338 and ASP /B:339
Expected gap or linking atoms for ASP /B:339 and ASP /B:340
Unable to connect ASP /B:339 and ASP /B:340
Expected gap or linking atoms for ASP /B:340 and GLY /B:341
Unable to connect ASP /B:340 and GLY /B:341
Expected gap or linking atoms for GLY /B:341 and MET /B:342
Unable to connect GLY /B:341 and MET /B:342
Expected gap or linking atoms for MET /B:342 and ALA /B:343
Unable to connect MET /B:342 and ALA /B:343
Expected gap or linking atoms for ALA /B:343 and VAL /B:344
Unable to connect ALA /B:343 and VAL /B:344
Expected gap or linking atoms for VAL /B:344 and ALA /B:345
Unable to connect VAL /B:344 and ALA /B:345
Expected gap or linking atoms for ALA /B:345 and THR /B:346
Unable to connect ALA /B:345 and THR /B:346
Expected gap or linking atoms for THR /B:346 and GLY /B:347
Unable to connect THR /B:346 and GLY /B:347
Expected gap or linking atoms for GLY /B:347 and SER /B:348
Unable to connect GLY /B:347 and SER /B:348
Expected gap or linking atoms for SER /B:348 and TRP /B:349
Unable to connect SER /B:348 and TRP /B:349
Expected gap or linking atoms for TRP /B:349 and ASP /B:350
Unable to connect TRP /B:349 and ASP /B:350
Expected gap or linking atoms for ASP /B:350 and SER /B:351
Unable to connect ASP /B:350 and SER /B:351
Expected gap or linking atoms for SER /B:351 and PHE /B:352
Unable to connect SER /B:351 and PHE /B:352
Expected gap or linking atoms for PHE /B:352 and LEU /B:353
Unable to connect PHE /B:352 and LEU /B:353
Expected gap or linking atoms for LEU /B:353 and LYS /B:354
Unable to connect LEU /B:353 and LYS /B:354
Expected gap or linking atoms for LYS /B:354 and ILE /B:355
Unable to connect LYS /B:354 and ILE /B:355
Expected gap or linking atoms for ILE /B:355 and TRP /B:356
Unable to connect ILE /B:355 and TRP /B:356
Expected gap or linking atoms for TRP /B:356 and ASN /B:357
Unable to connect TRP /B:356 and ASN /B:357
Expected gap or linking atoms for ASN /B:357 and UNK /?:900
Unable to connect ASN /B:357 and UNK /?:900
Atom 1C is not in the residue template for UNK /?:900
Atom OE2 is not in the residue template for GLH /R:16
Atom N is not in the residue template for ASH /R:34
Atom N is not in the residue template for HIE /R:94
Atom N is not in the residue template for HIE /R:208
Atom N is not in the residue template for HIE /R:276
Atom N is not in the residue template for HIE /A:119
7 messages similar to the above omitted
Atom OE2 is not in the residue template for GLH /S:6
Atom N is not in the residue template for HIE /S:35
Atom N is not in the residue template for HIE /S:155
Atom H1 is not in the residue template for GLY /R:3
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:4
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:4
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:4
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:4
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:4
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:5
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:5
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:5
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:5
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:5
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LYS /R:6
Atom HA has no neighbors to form bonds with according to residue template for
LYS /R:6
Atom HB3 has no neighbors to form bonds with according to residue template for
LYS /R:6
Atom HB2 has no neighbors to form bonds with according to residue template for
LYS /R:6
Atom HG3 has no neighbors to form bonds with according to residue template for
LYS /R:6
8 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /R:7
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:7
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:7
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:7
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:7
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:8
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:8
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:8
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:8
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:8
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:9
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:9
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:9
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:9
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:9
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
THR /R:10
Atom HA has no neighbors to form bonds with according to residue template for
THR /R:10
Atom HB has no neighbors to form bonds with according to residue template for
THR /R:10
Atom HG1 has no neighbors to form bonds with according to residue template for
THR /R:10
Atom HG21 has no neighbors to form bonds with according to residue template
for THR /R:10
2 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:11
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:11
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:11
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:11
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:11
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:12
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:12
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:12
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:12
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:12
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:13
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:13
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:13
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:13
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:13
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:14
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:14
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:14
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:14
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:14
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:15
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:15
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:15
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:15
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:15
4 messages similar to the above omitted
Atom HA is not in the residue template for GLH /R:16
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:17
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:17
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:17
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:17
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:17
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:18
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:18
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:18
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:18
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:18
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:19
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:19
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:19
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:19
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:19
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
GLY /R:20
Atom HA3 has no neighbors to form bonds with according to residue template for
GLY /R:20
Atom HA2 has no neighbors to form bonds with according to residue template for
GLY /R:20
Atom H has no neighbors to form bonds with according to residue template for
ASN /R:21
Atom HA has no neighbors to form bonds with according to residue template for
ASN /R:21
Atom HB3 has no neighbors to form bonds with according to residue template for
ASN /R:21
Atom HB2 has no neighbors to form bonds with according to residue template for
ASN /R:21
Atom HD22 has no neighbors to form bonds with according to residue template
for ASN /R:21
1 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:22
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:22
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:22
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:22
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:22
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
GLY /R:23
Atom HA3 has no neighbors to form bonds with according to residue template for
GLY /R:23
Atom HA2 has no neighbors to form bonds with according to residue template for
GLY /R:23
Atom H has no neighbors to form bonds with according to residue template for
ASN /R:24
Atom HA has no neighbors to form bonds with according to residue template for
ASN /R:24
Atom HB3 has no neighbors to form bonds with according to residue template for
ASN /R:24
Atom HB2 has no neighbors to form bonds with according to residue template for
ASN /R:24
Atom HD22 has no neighbors to form bonds with according to residue template
for ASN /R:24
1 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /R:25
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:25
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:25
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:25
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:25
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:26
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:26
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:26
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:26
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:26
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:27
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:27
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:27
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:27
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:27
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ALA /R:28
Atom HA has no neighbors to form bonds with according to residue template for
ALA /R:28
Atom HB1 has no neighbors to form bonds with according to residue template for
ALA /R:28
Atom HB2 has no neighbors to form bonds with according to residue template for
ALA /R:28
Atom HB3 has no neighbors to form bonds with according to residue template for
ALA /R:28
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:29
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:29
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:29
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:29
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:29
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:30
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:30
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:30
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:30
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:30
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ASN /R:31
Atom HA has no neighbors to form bonds with according to residue template for
ASN /R:31
Atom HB3 has no neighbors to form bonds with according to residue template for
ASN /R:31
Atom HB2 has no neighbors to form bonds with according to residue template for
ASN /R:31
Atom HD22 has no neighbors to form bonds with according to residue template
for ASN /R:31
1 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
CYS /R:32
Atom HA has no neighbors to form bonds with according to residue template for
CYS /R:32
Atom HB3 has no neighbors to form bonds with according to residue template for
CYS /R:32
Atom HB2 has no neighbors to form bonds with according to residue template for
CYS /R:32
Atom HG has no neighbors to form bonds with according to residue template for
CYS /R:32
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:33
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:33
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:33
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:33
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:33
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
TRP /R:35
Atom HA has no neighbors to form bonds with according to residue template for
TRP /R:35
Atom HB3 has no neighbors to form bonds with according to residue template for
TRP /R:35
Atom HB2 has no neighbors to form bonds with according to residue template for
TRP /R:35
Atom HD1 has no neighbors to form bonds with according to residue template for
TRP /R:35
5 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
GLY /R:38
Atom HA3 has no neighbors to form bonds with according to residue template for
GLY /R:38
Atom HA2 has no neighbors to form bonds with according to residue template for
GLY /R:38
Atom H has no neighbors to form bonds with according to residue template for
ARG /R:39
Atom HA has no neighbors to form bonds with according to residue template for
ARG /R:39
Atom HB3 has no neighbors to form bonds with according to residue template for
ARG /R:39
Atom HB2 has no neighbors to form bonds with according to residue template for
ARG /R:39
Atom HG3 has no neighbors to form bonds with according to residue template for
ARG /R:39
8 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:41
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:41
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:41
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:41
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:41
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /R:42
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:42
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:42
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:42
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:42
Atom H has no neighbors to form bonds with according to residue template for
SER /R:43
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:43
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:43
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:43
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:43
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:44
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:44
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:44
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:44
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:44
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ASP /R:45
Atom HA has no neighbors to form bonds with according to residue template for
ASP /R:45
Atom HB3 has no neighbors to form bonds with according to residue template for
ASP /R:45
Atom HB2 has no neighbors to form bonds with according to residue template for
ASP /R:45
Atom H has no neighbors to form bonds with according to residue template for
ARG /R:46
Atom HA has no neighbors to form bonds with according to residue template for
ARG /R:46
Atom HB3 has no neighbors to form bonds with according to residue template for
ARG /R:46
Atom HB2 has no neighbors to form bonds with according to residue template for
ARG /R:46
Atom HG3 has no neighbors to form bonds with according to residue template for
ARG /R:46
8 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:47
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:47
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:47
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:47
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:47
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:48
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:48
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:48
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:48
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:48
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
THR /R:49
Atom HA has no neighbors to form bonds with according to residue template for
THR /R:49
Atom HB has no neighbors to form bonds with according to residue template for
THR /R:49
Atom HG1 has no neighbors to form bonds with according to residue template for
THR /R:49
Atom HG21 has no neighbors to form bonds with according to residue template
for THR /R:49
2 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ALA /R:50
Atom HA has no neighbors to form bonds with according to residue template for
ALA /R:50
Atom HB1 has no neighbors to form bonds with according to residue template for
ALA /R:50
Atom HB2 has no neighbors to form bonds with according to residue template for
ALA /R:50
Atom HB3 has no neighbors to form bonds with according to residue template for
ALA /R:50
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:51
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:51
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:51
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:51
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:51
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ALA /R:52
Atom HA has no neighbors to form bonds with according to residue template for
ALA /R:52
Atom HB1 has no neighbors to form bonds with according to residue template for
ALA /R:52
Atom HB2 has no neighbors to form bonds with according to residue template for
ALA /R:52
Atom HB3 has no neighbors to form bonds with according to residue template for
ALA /R:52
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:53
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:53
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:53
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:53
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:53
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /R:54
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:54
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:54
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:54
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:54
Atom H has no neighbors to form bonds with according to residue template for
ARG /R:55
Atom HA has no neighbors to form bonds with according to residue template for
ARG /R:55
Atom HB3 has no neighbors to form bonds with according to residue template for
ARG /R:55
Atom HB2 has no neighbors to form bonds with according to residue template for
ARG /R:55
Atom HG3 has no neighbors to form bonds with according to residue template for
ARG /R:55
8 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:56
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:56
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:56
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:56
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:56
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /R:57
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:57
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:57
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:57
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:57
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:58
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:58
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:58
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:58
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:58
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:59
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:59
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:59
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:59
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:59
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
TRP /R:60
Atom HA has no neighbors to form bonds with according to residue template for
TRP /R:60
Atom HB3 has no neighbors to form bonds with according to residue template for
TRP /R:60
Atom HB2 has no neighbors to form bonds with according to residue template for
TRP /R:60
Atom HD1 has no neighbors to form bonds with according to residue template for
TRP /R:60
5 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:61
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:61
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:61
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:61
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:61
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:62
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:62
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:62
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:62
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:62
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:63
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:63
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:63
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:63
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:63
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
GLY /R:64
Atom HA3 has no neighbors to form bonds with according to residue template for
GLY /R:64
Atom HA2 has no neighbors to form bonds with according to residue template for
GLY /R:64
Atom H has no neighbors to form bonds with according to residue template for
SER /R:65
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:65
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:65
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:65
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:65
Atom H has no neighbors to form bonds with according to residue template for
TRP /R:66
Atom HA has no neighbors to form bonds with according to residue template for
TRP /R:66
Atom HB3 has no neighbors to form bonds with according to residue template for
TRP /R:66
Atom HB2 has no neighbors to form bonds with according to residue template for
TRP /R:66
Atom HD1 has no neighbors to form bonds with according to residue template for
TRP /R:66
5 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
CYS /R:67
Atom HA has no neighbors to form bonds with according to residue template for
CYS /R:67
Atom HB3 has no neighbors to form bonds with according to residue template for
CYS /R:67
Atom HB2 has no neighbors to form bonds with according to residue template for
CYS /R:67
Atom HG has no neighbors to form bonds with according to residue template for
CYS /R:67
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:68
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:68
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:68
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:68
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:68
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /R:69
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:69
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:69
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:69
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:69
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:70
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:70
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:70
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:70
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:70
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:71
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:71
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:71
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:71
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:71
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:72
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:72
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:72
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:72
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:72
4 messages similar to the above omitted
Atom HA has no neighbors to form bonds with according to residue template for
PRO /R:73
Atom HB3 has no neighbors to form bonds with according to residue template for
PRO /R:73
Atom HB2 has no neighbors to form bonds with according to residue template for
PRO /R:73
Atom HG3 has no neighbors to form bonds with according to residue template for
PRO /R:73
Atom HG2 has no neighbors to form bonds with according to residue template for
PRO /R:73
2 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ALA /R:74
Atom HA has no neighbors to form bonds with according to residue template for
ALA /R:74
Atom HB1 has no neighbors to form bonds with according to residue template for
ALA /R:74
Atom HB2 has no neighbors to form bonds with according to residue template for
ALA /R:74
Atom HB3 has no neighbors to form bonds with according to residue template for
ALA /R:74
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:75
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:75
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:75
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:75
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:75
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:76
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:76
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:76
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:76
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:76
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ALA /R:77
Atom HA has no neighbors to form bonds with according to residue template for
ALA /R:77
Atom HB1 has no neighbors to form bonds with according to residue template for
ALA /R:77
Atom HB2 has no neighbors to form bonds with according to residue template for
ALA /R:77
Atom HB3 has no neighbors to form bonds with according to residue template for
ALA /R:77
Atom H has no neighbors to form bonds with according to residue template for
THR /R:78
Atom HA has no neighbors to form bonds with according to residue template for
THR /R:78
Atom HB has no neighbors to form bonds with according to residue template for
THR /R:78
Atom HG1 has no neighbors to form bonds with according to residue template for
THR /R:78
Atom HG21 has no neighbors to form bonds with according to residue template
for THR /R:78
2 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
GLU /R:79
Atom HA has no neighbors to form bonds with according to residue template for
GLU /R:79
Atom HB3 has no neighbors to form bonds with according to residue template for
GLU /R:79
Atom HB2 has no neighbors to form bonds with according to residue template for
GLU /R:79
Atom HG3 has no neighbors to form bonds with according to residue template for
GLU /R:79
1 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LYS /R:80
Atom HA has no neighbors to form bonds with according to residue template for
LYS /R:80
Atom HB3 has no neighbors to form bonds with according to residue template for
LYS /R:80
Atom HB2 has no neighbors to form bonds with according to residue template for
LYS /R:80
Atom HG3 has no neighbors to form bonds with according to residue template for
LYS /R:80
8 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
MET /R:81
Atom HA has no neighbors to form bonds with according to residue template for
MET /R:81
Atom HB3 has no neighbors to form bonds with according to residue template for
MET /R:81
Atom HB2 has no neighbors to form bonds with according to residue template for
MET /R:81
Atom HG3 has no neighbors to form bonds with according to residue template for
MET /R:81
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:82
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:82
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:82
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:82
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:82
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ARG /R:83
Atom HA has no neighbors to form bonds with according to residue template for
ARG /R:83
Atom HB3 has no neighbors to form bonds with according to residue template for
ARG /R:83
Atom HB2 has no neighbors to form bonds with according to residue template for
ARG /R:83
Atom HG3 has no neighbors to form bonds with according to residue template for
ARG /R:83
8 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:85
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:85
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:85
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:85
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:85
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
THR /R:86
Atom HA has no neighbors to form bonds with according to residue template for
THR /R:86
Atom HB has no neighbors to form bonds with according to residue template for
THR /R:86
Atom HG1 has no neighbors to form bonds with according to residue template for
THR /R:86
Atom HG21 has no neighbors to form bonds with according to residue template
for THR /R:86
2 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ASN /R:87
Atom HA has no neighbors to form bonds with according to residue template for
ASN /R:87
Atom HB3 has no neighbors to form bonds with according to residue template for
ASN /R:87
Atom HB2 has no neighbors to form bonds with according to residue template for
ASN /R:87
Atom HD22 has no neighbors to form bonds with according to residue template
for ASN /R:87
1 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:88
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:88
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:88
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:88
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:88
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
TRP /R:89
Atom HA has no neighbors to form bonds with according to residue template for
TRP /R:89
Atom HB3 has no neighbors to form bonds with according to residue template for
TRP /R:89
Atom HB2 has no neighbors to form bonds with according to residue template for
TRP /R:89
Atom HD1 has no neighbors to form bonds with according to residue template for
TRP /R:89
5 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
THR /R:90
Atom HA has no neighbors to form bonds with according to residue template for
THR /R:90
Atom HB has no neighbors to form bonds with according to residue template for
THR /R:90
Atom HG1 has no neighbors to form bonds with according to residue template for
THR /R:90
Atom HG21 has no neighbors to form bonds with according to residue template
for THR /R:90
2 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:91
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:91
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:91
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:91
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:91
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:92
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:92
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:92
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:92
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:92
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ASN /R:93
Atom HA has no neighbors to form bonds with according to residue template for
ASN /R:93
Atom HB3 has no neighbors to form bonds with according to residue template for
ASN /R:93
Atom HB2 has no neighbors to form bonds with according to residue template for
ASN /R:93
Atom HD22 has no neighbors to form bonds with according to residue template
for ASN /R:93
1 messages similar to the above omitted
Atom H is not in the residue template for HIE /R:94
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:95
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:95
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:95
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:95
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:95
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /R:96
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:96
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:96
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:96
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:96
Atom H has no neighbors to form bonds with according to residue template for
VAL /R:97
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:97
Atom HB has no neighbors to form bonds with according to residue template for
VAL /R:97
Atom HG11 has no neighbors to form bonds with according to residue template
for VAL /R:97
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /R:97
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
TRP /R:98
Atom HA has no neighbors to form bonds with according to residue template for
TRP /R:98
Atom HB3 has no neighbors to form bonds with according to residue template for
TRP /R:98
Atom HB2 has no neighbors to form bonds with according to residue template for
TRP /R:98
Atom HD1 has no neighbors to form bonds with according to residue template for
TRP /R:98
5 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:99
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:99
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:99
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:99
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:99
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ALA /R:100
Atom HA has no neighbors to form bonds with according to residue template for
ALA /R:100
Atom HB1 has no neighbors to form bonds with according to residue template for
ALA /R:100
Atom HB2 has no neighbors to form bonds with according to residue template for
ALA /R:100
Atom HB3 has no neighbors to form bonds with according to residue template for
ALA /R:100
Atom H has no neighbors to form bonds with according to residue template for
THR /R:101
Atom HA has no neighbors to form bonds with according to residue template for
THR /R:101
Atom HB has no neighbors to form bonds with according to residue template for
THR /R:101
Atom HG1 has no neighbors to form bonds with according to residue template for
THR /R:101
Atom HG21 has no neighbors to form bonds with according to residue template
for THR /R:101
2 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
GLY /R:102
Atom HA3 has no neighbors to form bonds with according to residue template for
GLY /R:102
Atom HA2 has no neighbors to form bonds with according to residue template for
GLY /R:102
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:103
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:103
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:103
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:103
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:103
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
GLY /R:104
Atom HA3 has no neighbors to form bonds with according to residue template for
GLY /R:104
Atom HA2 has no neighbors to form bonds with according to residue template for
GLY /R:104
Atom H has no neighbors to form bonds with according to residue template for
THR /R:105
Atom HA has no neighbors to form bonds with according to residue template for
THR /R:105
Atom HB has no neighbors to form bonds with according to residue template for
THR /R:105
Atom HG1 has no neighbors to form bonds with according to residue template for
THR /R:105
Atom HG21 has no neighbors to form bonds with according to residue template
for THR /R:105
2 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:106
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:106
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:106
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:106
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:106
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
TYR /R:107
Atom HA has no neighbors to form bonds with according to residue template for
TYR /R:107
Atom HB3 has no neighbors to form bonds with according to residue template for
TYR /R:107
Atom HB2 has no neighbors to form bonds with according to residue template for
TYR /R:107
Atom HD1 has no neighbors to form bonds with according to residue template for
TYR /R:107
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:108
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:108
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:108
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:108
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:108
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LEU /R:109
Atom HA has no neighbors to form bonds with according to residue template for
LEU /R:109
Atom HB3 has no neighbors to form bonds with according to residue template for
LEU /R:109
Atom HB2 has no neighbors to form bonds with according to residue template for
LEU /R:109
Atom HG has no neighbors to form bonds with according to residue template for
LEU /R:109
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
LYS /R:110
Atom HA has no neighbors to form bonds with according to residue template for
LYS /R:110
Atom HB3 has no neighbors to form bonds with according to residue template for
LYS /R:110
Atom HB2 has no neighbors to form bonds with according to residue template for
LYS /R:110
Atom HG3 has no neighbors to form bonds with according to residue template for
LYS /R:110
8 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ILE /R:111
Atom HA has no neighbors to form bonds with according to residue template for
ILE /R:111
Atom HB has no neighbors to form bonds with according to residue template for
ILE /R:111
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /R:111
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /R:111
6 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
ALA /R:112
Atom HA has no neighbors to form bonds with according to residue template for
ALA /R:112
Atom HB1 has no neighbors to form bonds with according to residue template for
ALA /R:112
Atom HB2 has no neighbors to form bonds with according to residue template for
ALA /R:112
Atom HB3 has no neighbors to form bonds with according to residue template for
ALA /R:112
Atom H has no neighbors to form bonds with according to residue template for
ASN /R:113
Atom HA has no neighbors to form bonds with according to residue template for
ASN /R:113
Atom HB3 has no neighbors to form bonds with according to residue template for
ASN /R:113
Atom HB2 has no neighbors to form bonds with according to residue template for
ASN /R:113
Atom HD22 has no neighbors to form bonds with according to residue template
for ASN /R:113
1 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
PHE /R:114
Atom HA has no neighbors to form bonds with according to residue template for
PHE /R:114
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /R:114
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /R:114
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /R:114
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /R:115
Atom HA has no neighbors to form bonds with according to residue template for
SER /R:115
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /R:115
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /R:115
Atom HG has no neighbors to form bonds with according to residue template for
SER /R:115
Atom H has no neighbors to form bonds with according to residue template for
ASN /R:116
Atom HA has no neighbors to form bonds with according to residue template for
ASN /R:116
Atom HB3 has no neighbors to form bonds with according to residue template for
ASN /R:116
Atom HB2 has no neighbors to form bonds with according to residue template for
ASN /R:116
Atom HD22 has no neighbors to form bonds with according to residue template
for ASN /R:116
1 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /R:117
[deleted to fit within ticket limits]
Atom HG12 has no neighbors to form bonds with according to residue template
for VAL /S:97
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
GLY /S:104
Atom HA3 has no neighbors to form bonds with according to residue template for
GLY /S:104
Atom HA2 has no neighbors to form bonds with according to residue template for
GLY /S:104
Atom H has no neighbors to form bonds with according to residue template for
PHE /S:108
Atom HA has no neighbors to form bonds with according to residue template for
PHE /S:108
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /S:108
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /S:108
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /S:108
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /S:121
Atom HXT has no neighbors to form bonds with according to residue template for
SER /S:121
Atom H1 is not in the residue template for SER /S:124
Atom H has no neighbors to form bonds with according to residue template for
ILE /S:145
Atom HA has no neighbors to form bonds with according to residue template for
ILE /S:145
Atom HB has no neighbors to form bonds with according to residue template for
ILE /S:145
Atom HG13 has no neighbors to form bonds with according to residue template
for ILE /S:145
Atom HG12 has no neighbors to form bonds with according to residue template
for ILE /S:145
6 messages similar to the above omitted
Atom H is not in the residue template for HIE /S:155
Atom H has no neighbors to form bonds with according to residue template for
ASN /S:157
Atom HA has no neighbors to form bonds with according to residue template for
ASN /S:157
Atom HB3 has no neighbors to form bonds with according to residue template for
ASN /S:157
Atom HB2 has no neighbors to form bonds with according to residue template for
ASN /S:157
Atom HD22 has no neighbors to form bonds with according to residue template
for ASN /S:157
1 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
GLY /S:158
Atom HA3 has no neighbors to form bonds with according to residue template for
GLY /S:158
Atom HA2 has no neighbors to form bonds with according to residue template for
GLY /S:158
Atom H has no neighbors to form bonds with according to residue template for
PHE /S:191
Atom HA has no neighbors to form bonds with according to residue template for
PHE /S:191
Atom HB3 has no neighbors to form bonds with according to residue template for
PHE /S:191
Atom HB2 has no neighbors to form bonds with according to residue template for
PHE /S:191
Atom HD1 has no neighbors to form bonds with according to residue template for
PHE /S:191
4 messages similar to the above omitted
Atom H has no neighbors to form bonds with according to residue template for
SER /S:194
Atom HA has no neighbors to form bonds with according to residue template for
SER /S:194
Atom HB3 has no neighbors to form bonds with according to residue template for
SER /S:194
Atom HB2 has no neighbors to form bonds with according to residue template for
SER /S:194
Atom HG has no neighbors to form bonds with according to residue template for
SER /S:194
Atom HA has no neighbors to form bonds with according to residue template for
LYS /A:94
Atom CB is not in the residue template for HIE /A:157
Atom HA has no neighbors to form bonds with according to residue template for
GLU /A:164
Atom HA has no neighbors to form bonds with according to residue template for
TYR /A:165
Atom HA has no neighbors to form bonds with according to residue template for
LYS /B:32
Atom CB is not in the residue template for ASH /R:34
Atom HA has no neighbors to form bonds with according to residue template for
VAL /R:36
Atom HA has no neighbors to form bonds with according to residue template for
LYS /R:37
Atom HA has no neighbors to form bonds with according to residue template for
LYS /R:40
Atom HA has no neighbors to form bonds with according to residue template for
MET /R:84
Atom HA has no neighbors to form bonds with according to residue template for
LYS /R:128
21 messages similar to the above omitted
Atom 17781S is not in the residue template for UNK /?:900
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.
Chain information for probenicide_docking.cif #2
---
Chain | Description
A | No description available
R | No description available
> hide #!1 models
> select add #2
12558 atoms, 8061 bonds, 13 pseudobonds, 1670 residues, 2 models selected
> show sel cartoons
[Repeated 5 time(s)]
> select up
12558 atoms, 8061 bonds, 13 pseudobonds, 1670 residues, 2 models selected
> open
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/LF1_Docking.pdb
LF1_Docking.pdb title:
T2R14_LF1_docking [more info...]
Chain information for LF1_Docking.pdb #3
---
Chain | Description
A | No description available
B | No description available
G | No description available
R | No description available
S | No description available
> open
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/probenecide_dockink.pdb
probenecide_dockink.pdb title:
T2R14_probenicid_docking [more info...]
Chain information for probenecide_dockink.pdb #4
---
Chain | Description
A | No description available
B | No description available
G | No description available
R | No description available
S | No description available
> close #1-2
> hide #!4 models
Drag select of 17807 atoms, 5 pseudobonds, 66 bonds
> style sel stick
Changed 17807 atom styles
> show sel cartoons
> hide sel atoms
> set bgColor white
> set bgColor #ffffff00
> show #!4 models
> select add #4
35624 atoms, 18070 bonds, 10 pseudobonds, 2254 residues, 4 models selected
> style sel stick
Changed 35624 atom styles
> show sel cartoons
> hide sel atoms
Drag select of 772 residues, 2 pseudobonds
> select up
14854 atoms, 14958 bonds, 2 pseudobonds, 974 residues, 4 models selected
> select up
26174 atoms, 26434 bonds, 2 pseudobonds, 1696 residues, 4 models selected
> hide sel cartoons
> hide #!4 models
> show #!4 models
> select add #4
30904 atoms, 31221 bonds, 6 pseudobonds, 1975 residues, 4 models selected
> select add #3
35624 atoms, 36000 bonds, 10 pseudobonds, 2254 residues, 4 models selected
> color (#!3-4 & sel) lime
> lighting simple
> lighting soft
> lighting full
> lighting shadows false
> lighting shadows true
> hide #!4 models
> show #!4 models
> ui tool show "Color Actions"
> set bgColor green
> set bgColor #00800000
> set bgColor white
> set bgColor #ffffff00
> color sel lime target c
> color sel brown target csp
> color sel green target sp
[Repeated 1 time(s)]
> color sel olive target cspf
> color sel green target csf
> color sel dark red target cf
> color sel forest green target csf
> color sel lime green target csf
> select ligand
138 atoms, 140 bonds, 2 residues, 2 models selected
> show sel atoms
> ui tool show "Color Actions"
> color sel light gray target csf
> color sel light gray
> color sel white
[Repeated 1 time(s)]
> color sel byhetero
Drag select of 2 residues
> select clear
> hide #!3 models
> show #!3 models
> lighting soft
> graphics silhouettes true
> select clear
> hide #!4 models
> ui tool show "Side View"
> select : 194,265
152 atoms, 140 bonds, 12 residues, 2 models selected
> show sel & #!3 atoms
Drag select of 11 atoms, 10 bonds
[Repeated 1 time(s)]
> hide sel atoms
Drag select of 43 atoms, 40 bonds
> hide sel atoms
> select #3/R:265
11 atoms, 10 bonds, 1 residue, 1 model selected
> select add #3/R:194
22 atoms, 20 bonds, 2 residues, 1 model selected
> color sel byhetero
> select clear
Drag select of 1 residues, 1 pseudobonds
> hide sel atoms
> hide sel cartoons
> select #3/R:194
11 atoms, 10 bonds, 1 residue, 1 model selected
> select add #3/R:265
22 atoms, 20 bonds, 2 residues, 1 model selected
> label sel attribute name
> view sel
> label size 24
> label size 33
> label size 100
> hide #4.1 models
> show #4.1 models
> hide #4.1 models
> select add #3.2
22 atoms, 20 bonds, 2 residues, 2 models selected
> label size 100
> hide #!3 models
> select : 194,265
152 atoms, 140 bonds, 12 residues, 2 models selected
> select #4/R:193
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #4/R:265
11 atoms, 10 bonds, 1 residue, 1 model selected
> select : 194,265
152 atoms, 140 bonds, 12 residues, 2 models selected
> select #4/R:194
11 atoms, 10 bonds, 1 residue, 1 model selected
> select add #4/R:265
22 atoms, 20 bonds, 2 residues, 1 model selected
> show sel atoms
> color sel byhetero
> select clear
> hide #3.1 models
> show #3.1 models
> hide #3.2 models
> show #3.2 models
> hide #!4 models
> select clear
> hide #!3 models
> show #!4 models
> select H
17800 atoms, 2254 residues, 2 models selected
> hide sel & #!4 atoms
> select clear
> select #4/R:265
11 atoms, 10 bonds, 1 residue, 1 model selected
> select add #4/R:194
22 atoms, 20 bonds, 2 residues, 1 model selected
> label sel attribute label_specifier
> label size 100
> labelopt size 28
Unknown command: labelopt size 28
> select clear
> ui tool show "Basic Actions"
> view
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
74 atoms, 74 bonds, 1 residue, 1 model selected
> view sel
> select clear
> hide #3.1 models
> hide #3.2 models
> show #3.2 models
> show #3.1 models
> hide #!4 models
> label #3 attribute label_specifier
> undo
> hide #!4 models
Drag select of 76 atoms, 240 residues, 1 pseudobonds, 76 bonds
> close #3.2
> select #3/R:195
19 atoms, 18 bonds, 1 residue, 1 model selected
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select add #3/R:265
13 atoms, 11 bonds, 2 residues, 1 model selected
> label sel attribute label_specifier
> select clear
> select #3/?:900@C11
1 atom, 1 residue, 1 model selected
> select #3/?:900@C11
1 atom, 1 residue, 1 model selected
Drag select of 5 atoms, 6 bonds
> select up
7 atoms, 6 bonds, 1 residue, 1 model selected
> select up
64 atoms, 66 bonds, 1 residue, 1 model selected
> select up
17807 atoms, 17996 bonds, 1127 residues, 1 model selected
> view sel
> select clear
[Repeated 1 time(s)]Drag select of 1 bonds
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
64 atoms, 66 bonds, 1 residue, 1 model selected
> view sel
> select clear
> open
> Z:/users/Alon/tas2r14_structure_project/T2R14_cryoEM/T2R14_FA_final_171223.pdb
Chain information for T2R14_FA_final_171223.pdb #1
---
Chain | Description
A | No description available
B | No description available
G | No description available
R | No description available
S | No description available
> select add #1
8650 atoms, 8830 bonds, 5 pseudobonds, 1128 residues, 2 models selected
> hide #3.2 models
> hide #3.1 models
> hide #!3 models
Drag select of 860 atoms, 17 bonds
Drag select of 5568 atoms, 4 pseudobonds, 42 bonds
> style sel stick
Changed 5568 atom styles
> show sel cartoons
> hide sel atoms
> select ligand
178 atoms, 182 bonds, 4 residues, 3 models selected
> select ligand
178 atoms, 182 bonds, 4 residues, 3 models selected
> show sel & #!1 atoms
> show #!3 models
> select add #3
17921 atoms, 18112 bonds, 5 pseudobonds, 1130 residues, 5 models selected
> hide sel & #!1,3 cartoons
> select add #1
26531 atoms, 26900 bonds, 10 pseudobonds, 2256 residues, 6 models selected
> hide sel & #!1,3 cartoons
> select clear
> select add #1
8650 atoms, 8831 bonds, 5 pseudobonds, 1128 residues, 3 models selected
> show sel cartoons
> select #1/R:230
7 atoms, 6 bonds, 1 residue, 1 model selected
> show sel atoms
> select #3/?:900@O8
1 atom, 1 residue, 1 model selected
> select sel :< 4
274 atoms, 270 bonds, 13 residues, 3 models selected
> show sel & #!1,3 atoms
> color (#!1,3 & sel) byhetero
> select H
17800 atoms, 2254 residues, 2 models selected
> hide sel & #!3 atoms
> select : 100
154 atoms, 145 bonds, 12 residues, 3 models selected
> select #1/R:100
5 atoms, 4 bonds, 1 residue, 1 model selected
> show sel atoms
> select : 107
174 atoms, 168 bonds, 12 residues, 3 models selected
> select #1/R:107
12 atoms, 12 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel byhetero
> ui tool show "Color Actions"
> color sel dark blue
> color sel byhetero
> select #1/A:24
9 atoms, 8 bonds, 1 residue, 1 model selected
Drag select of 15 atoms, 15 bonds, 12 residues
> hide sel atoms
Drag select of 1 atoms, 4 residues
> hide sel atoms
> select #3/R:229@C
1 atom, 1 residue, 1 model selected
> select #1/R:229
4 atoms, 3 bonds, 1 residue, 1 model selected
> select add #1/R:230
11 atoms, 9 bonds, 2 residues, 1 model selected
> hide sel atoms
> show #!4 models
> hide #!3 models
> hide #!1 models
> ui tool show Distances
> select #4/?:900@O7
1 atom, 1 residue, 1 model selected
> select add #4/R:194@OG
2 atoms, 2 residues, 1 model selected
> distance #4/?:900@O7 #4/R:194@OG
Distance between probenecide_dockink.pdb #4/? UNK 900 O7 and /R SER 194 OG: 4
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> open
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/TAS2R16_AF3_LF1_top_docked_pose.pdb
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/TAS2R16_AF3_Probenecid_top_docked_pose.pdb
TAS2R16_AF3_LF1_top_docked_pose.pdb title:
TAS2R16_AF3_LF1_top_docked_pose [more info...]
Chain information for TAS2R16_AF3_LF1_top_docked_pose.pdb #5
---
Chain | Description
A | No description available
TAS2R16_AF3_Probenecid_top_docked_pose.pdb title:
TAS2R16_AF3_Probenecid_top_docked_pose [more info...]
Chain information for TAS2R16_AF3_Probenecid_top_docked_pose.pdb #6
---
Chain | Description
A | No description available
> hide #!2 models
> hide #2.1 models
> hide #!4 models
> select add #4
17817 atoms, 18004 bonds, 6 pseudobonds, 1127 residues, 4 models selected
> select subtract #4
Nothing selected
> select add #5
4926 atoms, 4995 bonds, 292 residues, 1 model selected
> select add #6
9857 atoms, 9994 bonds, 584 residues, 2 models selected
> view
> select clear
> close #5-6
> open
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/TAS2R16_AF3_LF1_docked_poses_1.pdb
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/TAS2R16_AF3_Probenecid_docked_poses_1.pdb
TAS2R16_AF3_LF1_docked_poses_1.pdb title:
TAS2R16_AF3_LF1_docked_poses [more info...]
Chain information for TAS2R16_AF3_LF1_docked_poses_1.pdb #5
---
Chain | Description
A | No description available
TAS2R16_AF3_Probenecid_docked_poses_1.pdb title:
TAS2R16_AF3_Probenecid_docked_poses [more info...]
Chain information for TAS2R16_AF3_Probenecid_docked_poses_1.pdb #6
---
Chain | Description
A | No description available
> ui tool show Matchmaker
> matchmaker #5-6 to #4
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker probenecide_dockink.pdb, chain R (#4) with
TAS2R16_AF3_LF1_docked_poses_1.pdb, chain A (#5), sequence alignment score =
505.9
RMSD between 110 pruned atom pairs is 1.102 angstroms; (across all 265 pairs:
5.107)
Matchmaker probenecide_dockink.pdb, chain R (#4) with
TAS2R16_AF3_Probenecid_docked_poses_1.pdb, chain A (#6), sequence alignment
score = 505.9
RMSD between 110 pruned atom pairs is 1.102 angstroms; (across all 265 pairs:
5.107)
> view
> show #!4 models
> show #!3 models
> hide #!3 models
> hide #!4 models
> ui tool show Matchmaker
> matchmaker #5-6 to #3/R pairing bs
Parameters
---
Chain pairing | bs
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker LF1_Docking.pdb, chain R (#3) with
TAS2R16_AF3_LF1_docked_poses_1.pdb, chain A (#5), sequence alignment score =
505.9
RMSD between 110 pruned atom pairs is 1.102 angstroms; (across all 265 pairs:
5.107)
Matchmaker LF1_Docking.pdb, chain R (#3) with
TAS2R16_AF3_Probenecid_docked_poses_1.pdb, chain A (#6), sequence alignment
score = 505.9
RMSD between 110 pruned atom pairs is 1.102 angstroms; (across all 265 pairs:
5.107)
> show #!4 models
> hide #!4 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> select add #3
17807 atoms, 17996 bonds, 5 pseudobonds, 1127 residues, 3 models selected
> show sel cartoons
Drag select of 372 residues
> select up
7402 atoms, 7459 bonds, 479 residues, 1 model selected
> select up
13087 atoms, 13217 bonds, 848 residues, 1 model selected
> hide sel cartoons
> hide #6 models
Drag select of 251 atoms, 569 residues, 236 bonds
> hide sel cartoons
> show sel cartoons
Drag select of 248 atoms, 570 residues, 233 bonds
> hide sel cartoons
> hide sel atoms
> select ligand
316 atoms, 322 bonds, 6 residues, 5 models selected
> show sel & #5#!3 atoms
> select clear
> hide #!3 models
> hide #5 models
> show #6 models
> show #!4 models
> color #6 #beacd3 transparency 0
Drag select of 220 atoms, 569 residues, 203 bonds
> hide sel cartoons
> hide sel atoms
> select ligand
316 atoms, 322 bonds, 6 residues, 5 models selected
> show sel & #6#!4 atoms
> color (#6#!4 & sel) byhetero
> select clear
Drag select of 148 atoms, 148 bonds
> select H
22848 atoms, 2838 residues, 4 models selected
> hide sel & #6#!4 atoms
> show sel & #6#!4 cartoons
Drag select of 138 residues
> select up
3091 atoms, 3105 bonds, 196 residues, 1 model selected
> select up
9567 atoms, 9651 bonds, 615 residues, 1 model selected
> select up
17817 atoms, 18004 bonds, 1127 residues, 1 model selected
> select down
9567 atoms, 9651 bonds, 615 residues, 1 model selected
Drag select of 555 residues
> select clear
Drag select of 302 residues
> select up
5641 atoms, 5675 bonds, 364 residues, 1 model selected
> select up
13087 atoms, 13217 bonds, 848 residues, 1 model selected
> hide sel cartoons
> hide #!4 models
> color #6 #8a84d3 transparency 0
> color #6 #84bad3 transparency 0
> color #6 #09b8d3 transparency 0
> color #6 #1b99d3 transparency 0
> show #!4 models
> hide #!4 models
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
74 atoms, 74 bonds, 1 residue, 1 model selected
> color sel byhetero
> show #!4 models
> view sel
> select #4/R:194
11 atoms, 10 bonds, 1 residue, 1 model selected
> select add #6/A:194
21 atoms, 19 bonds, 2 residues, 2 models selected
> show sel atoms
> select #6/A:194
10 atoms, 9 bonds, 1 residue, 1 model selected
> color sel byhetero
> select : 96
190 atoms, 182 bonds, 14 residues, 5 models selected
> select #6/A:96
14 atoms, 13 bonds, 1 residue, 1 model selected
> show sel atoms
> select #6/A:194
10 atoms, 9 bonds, 1 residue, 1 model selected
> hide sel atoms
> select #6/A:96
14 atoms, 13 bonds, 1 residue, 1 model selected
> color sel byhetero
> select #4/R:100
10 atoms, 9 bonds, 1 residue, 1 model selected
> show sel atoms
> hide sel atoms
> select #4/R:101
14 atoms, 13 bonds, 1 residue, 1 model selected
> show sel atoms
> hide sel atoms
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
74 atoms, 74 bonds, 1 residue, 1 model selected
> color #6 #1784b3 transparency 0
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
74 atoms, 74 bonds, 1 residue, 1 model selected
> color sel byhetero
> select #6/A:96
14 atoms, 13 bonds, 1 residue, 1 model selected
> color sel byhetero
> select #4/?:900@C23
1 atom, 1 residue, 1 model selected
> select up
74 atoms, 74 bonds, 1 residue, 1 model selected
> ui tool show "Color Actions"
> color #4 #32ce32 transparency 0
> color sel byhetero
> select #4/R:194
11 atoms, 10 bonds, 1 residue, 1 model selected
> color sel byhetero
> select clear
> select #6/A:96
14 atoms, 13 bonds, 1 residue, 1 model selected
> label sel attribute label_specifier
> label sel text "{0.name} {0.number}{0.insertion_code}"
> select #4/R:194
11 atoms, 10 bonds, 1 residue, 1 model selected
> label sel text "{0.name} {0.number}{0.insertion_code}"
> select clear
> save C:\Users\Alon\Desktop\image9.png supersample 3
> save C:\Users\Alon\Desktop\image10.png supersample 3
> hide #!6 models
> hide #!4 models
> hide #4.2 models
> color #5 #1784b3 transparency 0
> show #5 models
> show #!3 models
> color #3 #32ce32 transparency 0
Drag select of 128 atoms, 132 bonds
> color sel byhetero
> select H
22848 atoms, 2838 residues, 4 models selected
> hide sel & #5#!3 atoms
> select clear
> select add #3
17807 atoms, 17996 bonds, 5 pseudobonds, 1127 residues, 3 models selected
> select add #5
22765 atoms, 23024 bonds, 5 pseudobonds, 1419 residues, 4 models selected
> show sel cartoons
Drag select of 137 residues
> select up
3153 atoms, 3174 bonds, 202 residues, 1 model selected
> select up
9567 atoms, 9651 bonds, 615 residues, 1 model selected
> select up
17807 atoms, 17996 bonds, 1127 residues, 1 model selected
> select down
9567 atoms, 9651 bonds, 615 residues, 1 model selected
> hide sel cartoons
Drag select of 199 residues
> select up
3387 atoms, 3430 bonds, 221 residues, 1 model selected
> hide sel cartoons
Drag select of 10 residues
> hide sel cartoons
> view sel
> select #3/R:194
11 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel byhetero
> label sel text "{0.name} {0.number}{0.insertion_code}"
> show #3.2 models
> select : 96
190 atoms, 182 bonds, 14 residues, 5 models selected
> select #5/A:96
14 atoms, 13 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel byhetero
> label sel text "{0.name} {0.number}{0.insertion_code}"
> save C:\Users\Alon\Desktop\image11.png supersample 3
> color #3 #249424 transparency 0
> color #3 #29a829 transparency 0
> hide #!5 models
> select : 276
125 atoms, 120 bonds, 8 residues, 5 models selected
> select #3/R:276
17 atoms, 17 bonds, 1 residue, 1 model selected
> show sel atoms
> select clear
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
64 atoms, 66 bonds, 1 residue, 1 model selected
> ui tool show "Color Actions"
> color sel lime green
> color sel indian red
> color sel orange
> color sel dark orange
> color sel goldenrod
[Repeated 1 time(s)]
> color sel sandy brown
[Repeated 1 time(s)]
> color sel goldenrod
> select clear
> color byhetero
> show #4.2 models
> hide #4.2 models
> hide #3.2 models
> select #3/R:276
17 atoms, 17 bonds, 1 residue, 1 model selected
> hide sel atoms
> hide #!4 models
> select #3/R:46
24 atoms, 23 bonds, 1 residue, 1 model selected
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
64 atoms, 66 bonds, 1 residue, 1 model selected
> view sel
> select clear
> save C:\Users\Alon\Desktop\image12.png supersample 3
> select : 276
125 atoms, 120 bonds, 8 residues, 5 models selected
> select #3/R:276
17 atoms, 17 bonds, 1 residue, 1 model selected
> show sel atoms
> select H
22848 atoms, 2838 residues, 4 models selected
> hide sel & #!3 atoms
> select clear
> select #3/R:276@NE2
1 atom, 1 residue, 1 model selected
> select add #3/?:900@O6
2 atoms, 2 residues, 1 model selected
> distance #3/R:276@NE2 #3/?:900@O6
Distance between LF1_Docking.pdb #3/R HIS 276 NE2 and / UNK 900 O6: 3
> distance #3/R:276@NE2 #3/?:900@O6
Distance already exists; modify distance properties with 'distance style'
> select clear
> select #3/R:276@NE2
1 atom, 1 residue, 1 model selected
> select add #3/?:900@O6
2 atoms, 2 residues, 1 model selected
> distance #3/R:276@NE2 #3/?:900@O6
Distance already exists; modify distance properties with 'distance style'
> hide #!3 models
> show #!3 models
> show #3.1 models
> hide #3.1 models
> show #3.2 models
> hide #3.2 models
> show #!2 models
> select clear
> select : 198
203 atoms, 194 bonds, 14 residues, 5 models selected
> select #3/R:198
20 atoms, 20 bonds, 1 residue, 1 model selected
> show sel atoms
> hide sel atoms
> distance style decimalPlaces 1
[Repeated 2 time(s)]
> distance style decimalPlaces 0
[Repeated 2 time(s)]
> select clear
> save C:\Users\Alon\Desktop\image13.png supersample 3
> hide #!3 models
> open
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/LF1_Docking_S194A.pdb
LF1_Docking_S194A.pdb title:
T2R14_FA_final_171223_s194a - prepared LF1 [more info...]
Chain information for LF1_Docking_S194A.pdb #7
---
Chain | Description
A | No description available
B | No description available
G | No description available
R | No description available
S | No description available
Drag select of 5649 atoms, 1 pseudobonds, 33 bonds
> hide sel atoms
> style sel stick
Changed 5649 atom styles
Drag select of 12125 atoms, 3 pseudobonds
> select add #7
17774 atoms, 17962 bonds, 5 pseudobonds, 1127 residues, 2 models selected
> style sel stick
Changed 17774 atom styles
> show sel cartoons
> hide sel atoms
Drag select of 567 residues, 1 pseudobonds
> select up
9997 atoms, 10093 bonds, 1 pseudobond, 653 residues, 2 models selected
> select up
13087 atoms, 13217 bonds, 1 pseudobond, 848 residues, 2 models selected
> hide sel cartoons
> select ligand
348 atoms, 355 bonds, 7 residues, 6 models selected
> show sel & #!7 atoms
> select H
31730 atoms, 3965 residues, 5 models selected
> hide sel & #!7 atoms
> select : 194
211 atoms, 193 bonds, 18 residues, 6 models selected
> select #7/R:194
10 atoms, 9 bonds, 1 residue, 1 model selected
> show sel atoms
> color #7 #29a829 transparency 0
> select : 276
159 atoms, 153 bonds, 10 residues, 6 models selected
> select #7/R:276
17 atoms, 17 bonds, 1 residue, 1 model selected
> show sel atoms
Drag select of 40 atoms, 184 residues, 40 bonds
> color sel byhetero
> select H
31730 atoms, 3965 residues, 5 models selected
> hide sel & #!7 atoms
> view sel
> select #7/?:900@N1
1 atom, 1 residue, 1 model selected
> select up
32 atoms, 33 bonds, 1 residue, 1 model selected
> select up
34 atoms, 34 bonds, 2 residues, 1 model selected
> select up
49 atoms, 50 bonds, 2 residues, 1 model selected
> select add #7/R:194@CB
50 atoms, 50 bonds, 3 residues, 1 model selected
> view sel
> select clear
> select #7/?:900@C8
1 atom, 1 residue, 1 model selected
> select up
32 atoms, 33 bonds, 1 residue, 1 model selected
> ui tool show "Color Actions"
> color sel sandy brown
> color sel goldenrod
> color sel dark orange
> color sel orange
> color sel goldenrod
> color sel byhetero
> select clear
> select #7/?:900@O1
1 atom, 1 residue, 1 model selected
> select add #7/R:276@NE2
2 atoms, 2 residues, 1 model selected
> distance #7/?:900@O1 #7/R:276@NE2
Distance between LF1_Docking_S194A.pdb #7/? UNK 900 O1 and /R HIS 276 NE2: 3
> select clear
> save C:\Users\Alon\Desktop\image14.png supersample 3
> hide #!7 models
> show #!4 models
> color #4 #29a829 transparency 0
Drag select of 25 atoms, 123 residues, 24 bonds, 1 pseudobonds
> select H
31730 atoms, 3965 residues, 5 models selected
> hide sel & #!4 atoms
> color (#!4 & sel) byhetero
[Repeated 1 time(s)]
> select clear
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
11 atoms, 10 bonds, 1 residue, 1 model selected
> color sel byhetero
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
74 atoms, 74 bonds, 1 residue, 1 model selected
> ui tool show "Color Actions"
> color sel goldenrod
> color sel byhetero
> show #4.1 models
> show #4.2 models
> hide #4.2 models
> hide #4.1 models
> hide #!2 models
> show #!2 models
No visible atoms, bonds, or surfaces selected
> select clear
> ~distance #4/?:900@O7 #4/R:194@OG
> select #4/R:194@OG
1 atom, 1 residue, 1 model selected
> select add #4/?:900@O7
2 atoms, 2 residues, 1 model selected
> distance #4/R:194@OG #4/?:900@O7
Distance between probenecide_dockink.pdb #4/R SER 194 OG and / UNK 900 O7: 4
> select clear
> save C:\Users\Alon\Desktop\image15.png supersample 3
> hide #!2 models
> save C:\Users\Alon\Desktop\image16.png supersample 3
> open
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/probenicide_s194a.png
Image mode RGBA is not supported (L, P, I;16, I;16B, I;16L, I;16S, F, F;32BF,
I, RGB)
> hide #!4 models
> open
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/Probenicide_Docking_S194A.pdb
Probenicide_Docking_S194A.pdb title:
T2R14_FA_final_171223_s194a - prepared 4911 [more info...]
Chain information for Probenicide_Docking_S194A.pdb #8
---
Chain | Description
A | No description available
B | No description available
G | No description available
R | No description available
S | No description available
Non-standard residues in Probenicide_Docking_S194A.pdb #8
---
FLF — (FLF)
> select add #8
17808 atoms, 17996 bonds, 5 pseudobonds, 1128 residues, 2 models selected
> style sel stick
Changed 17808 atom styles
> show sel cartoons
> hide sel atoms
Drag select of 364 residues, 1 pseudobonds
> select up
6672 atoms, 6710 bonds, 1 pseudobond, 436 residues, 2 models selected
> select up
13087 atoms, 13217 bonds, 1 pseudobond, 848 residues, 2 models selected
> hide sel cartoons
> color #8 #29a829 transparency 0
> select ligand
414 atoms, 422 bonds, 9 residues, 7 models selected
> show sel & #!8 atoms
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
29 atoms, 30 bonds, 1 residue, 1 model selected
> hide sel atoms
> select #8/?:900@C3
1 atom, 1 residue, 1 model selected
Drag select of 4 atoms, 3 bonds
> select up
37 atoms, 37 bonds, 1 residue, 1 model selected
> ui tool show "Color Actions"
> color sel goldenrod
> color sel byhetero
> select H
40630 atoms, 5093 residues, 6 models selected
> hide sel & #!8 atoms
> select : 194
265 atoms, 243 bonds, 22 residues, 7 models selected
> select #8/R:194
10 atoms, 9 bonds, 1 residue, 1 model selected
> show sel atoms
> select H
40630 atoms, 5093 residues, 6 models selected
> hide sel & #!8 atoms
> select : 285
209 atoms, 197 bonds, 12 residues, 7 models selected
> select #8/R:285
22 atoms, 21 bonds, 1 residue, 1 model selected
> show sel atoms
> select H
40630 atoms, 5093 residues, 6 models selected
> hide sel & #!8 atoms
> color sel byhetero
> select #8/R:285
22 atoms, 21 bonds, 1 residue, 1 model selected
> color sel byhetero
> show #!4 models
> select #8/R:285@NZ
1 atom, 1 residue, 1 model selected
> select add #8/?:900@O4
2 atoms, 2 residues, 1 model selected
> distance #8/R:285@NZ #8/?:900@O4
Distance between Probenicide_Docking_S194A.pdb #8/R LYS 285 NZ and / UNK 900
O4: 3
> show #!2 models
> select clear
> select #8/R:285@NZ
1 atom, 1 residue, 1 model selected
> select add #8/?:900@O3
2 atoms, 2 residues, 1 model selected
> distance #8/R:285@NZ #8/?:900@O3
Distance between Probenicide_Docking_S194A.pdb #8/R LYS 285 NZ and / UNK 900
O3: 5
> hide #!4 models
> select #8/?:900@C12
1 atom, 1 residue, 1 model selected
> select up
37 atoms, 37 bonds, 1 residue, 1 model selected
> view sel
> select clear
> save C:\Users\Alon\Desktop\image17.png supersample 3
> hide #!8 models
> show #!3 models
> open C:/Users/Alon/Downloads/LF1-TAS2R16-N96T-9KPD.pdb
LF1-TAS2R16-N96T-9KPD.pdb title:
LF1-TAS2R16-N96T-9KPD [more info...]
Chain information for LF1-TAS2R16-N96T-9KPD.pdb #9
---
Chain | Description
R | No description available
> open C:/Users/Alon/Downloads/Probenecid-TAS2R16-WT-9KPD.pdb
Probenecid-TAS2R16-WT-9KPD.pdb title:
Probenecid-TAS2R16-WT-9KPD [more info...]
Chain information for Probenecid-TAS2R16-WT-9KPD.pdb #10
---
Chain | Description
R | No description available
> open C:/Users/Alon/Downloads/LF1-TAS2R16-WT-9KPD.pdb
LF1-TAS2R16-WT-9KPD.pdb title:
LF1-TAS2R16-WT-9KPD [more info...]
Chain information for LF1-TAS2R16-WT-9KPD.pdb #11
---
Chain | Description
R | No description available
> open C:/Users/Alon/Downloads/Probenecid-TAS2R16-N96T-9KPD.pdb
Probenecid-TAS2R16-N96T-9KPD.pdb title:
Probenecid-TAS2R16-N96T-9KPD [more info...]
Chain information for Probenecid-TAS2R16-N96T-9KPD.pdb #12
---
Chain | Description
R | No description available
> hide #!3 models
> hide #!2 models
> color #9 #1784b3 transparency 0
> color #10 #1784b3 transparency 0
> color #11 #1784b3 transparency 0
> color #12 #1784b3 transparency 0
> select add #9
4583 atoms, 4650 bonds, 1 pseudobond, 271 residues, 2 models selected
> select add #10
9171 atoms, 9304 bonds, 2 pseudobonds, 542 residues, 4 models selected
> select add #11
13754 atoms, 13954 bonds, 3 pseudobonds, 813 residues, 6 models selected
> select add #12
18342 atoms, 18608 bonds, 4 pseudobonds, 1084 residues, 8 models selected
> view
> hide sel atoms
> select ligand
552 atoms, 562 bonds, 13 residues, 11 models selected
> show sel & #!9-12 atoms
> ui tool show "Color Actions"
> color sel goldenrod
> color sel byhetero
> select H
49966 atoms, 6177 residues, 10 models selected
> hide sel & #!9-12 atoms
> select : 96
374 atoms, 358 bonds, 26 residues, 11 models selected
> show sel & #!9-12 atoms
> ui tool show "Color Actions"
> color sel byhetero
> select H
49966 atoms, 6177 residues, 10 models selected
> hide sel & #!9-12 atoms
> hide #!9 models
> hide #!10 models
> hide #!11 models
> hide #!12 models
> show #!12 models
> show #!10 models
> show #!8 models
> hide #!8 models
> hide #!10 models
> hide #!12 models
> show #!9 models
> show #!11 models
> show #!8 models
> hide #!8 models
> ui tool show Matchmaker
> matchmaker #!9-12 to #3/R pairing bs
Parameters
---
Chain pairing | bs
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker LF1_Docking.pdb, chain R (#3) with LF1-TAS2R16-N96T-9KPD.pdb, chain
R (#9), sequence alignment score = 463.8
RMSD between 106 pruned atom pairs is 1.294 angstroms; (across all 258 pairs:
4.421)
Matchmaker LF1_Docking.pdb, chain R (#3) with Probenecid-TAS2R16-WT-9KPD.pdb,
chain R (#10), sequence alignment score = 462.4
RMSD between 106 pruned atom pairs is 1.293 angstroms; (across all 258 pairs:
4.420)
Matchmaker LF1_Docking.pdb, chain R (#3) with LF1-TAS2R16-WT-9KPD.pdb, chain R
(#11), sequence alignment score = 462.4
RMSD between 106 pruned atom pairs is 1.293 angstroms; (across all 258 pairs:
4.420)
Matchmaker LF1_Docking.pdb, chain R (#3) with Probenecid-
TAS2R16-N96T-9KPD.pdb, chain R (#12), sequence alignment score = 463.8
RMSD between 106 pruned atom pairs is 1.294 angstroms; (across all 258 pairs:
4.421)
> show #!8 models
> hide #!8 models
> hide #!11 models
> hide #!9 models
> show #!12 models
> show #!8 models
> hide #!12 models
> hide #!8 models
> show #!9 models
> hide #!9 models
> show #!10 models
> show #!9 models
> hide #!9 models
> hide #!10 models
> show #!8 models
> hide #!8 models
> show #!4 models
> hide #!4 models
> show #!7 models
> select : 198
413 atoms, 398 bonds, 26 residues, 11 models selected
> show sel & #!7 atoms
> hide #!7 models
> show #!9 models
> select clear
> hide #!9 models
> show #!10 models
> hide #!10 models
> show #!11 models
> hide #!11 models
> show #!10 models
> hide #!10 models
> show #!12 models
> hide #!12 models
> show #!7 models
> select :276
269 atoms, 258 bonds, 16 residues, 11 models selected
> select #7/?:900@O1
1 atom, 1 residue, 1 model selected
> select add #7/R:276@NE2
2 atoms, 2 residues, 1 model selected
> select clear
> hide #!7 models
> show #!3 models
> select clear
> select #3/R:276@NE2
1 atom, 1 residue, 1 model selected
> select add #3/?:900@O6
2 atoms, 2 residues, 1 model selected
> distance #3/R:276@NE2 #3/?:900@O6
Distance already exists; modify distance properties with 'distance style'
> show #2.1 models
> distance style decimalPlaces 1
[Repeated 2 time(s)]
> distance style decimalPlaces 2
[Repeated 2 time(s)]
> distance style decimalPlaces 3
[Repeated 2 time(s)]
> hide #!3 models
> show #!9 models
> hide #!9 models
> show #!10 models
> hide #!10 models
> show #!10 models
> hide #!10 models
> show #!11 models
> hide #!11 models
> show #!12 models
> hide #!12 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!12 models
> hide #!12 models
> show #!11 models
> hide #!11 models
> show #!10 models
> hide #!10 models
> show #!10 models
> show #!12 models
> hide #!10 models
> show #!10 models
> hide #!12 models
> show #!12 models
> hide #!10 models
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
37 atoms, 37 bonds, 1 residue, 1 model selected
> ui tool show "Color Actions"
> color sel dark orange
> color sel goldenrod
> color sel orange
> color sel byhetero
> show #!10 models
> color sel yellow
> color sel gold
> color sel royal blue
> color sel tomato
> color sel indian red
> color sel byhetero
> select clear
> hide #!12 models
> hide #!10 models
> show #!11 models
> show #!9 models
> hide #!11 models
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
32 atoms, 33 bonds, 1 residue, 1 model selected
> color sel indian red
> color sel byhetero
> show #!11 models
> select clear
> hide #!11 models
> show #!8 models
> show #!4 models
> hide #!9 models
> hide #!4 models
> select #8/?:900@C12
1 atom, 1 residue, 1 model selected
> select up
37 atoms, 37 bonds, 1 residue, 1 model selected
> color sel indian red
> color sel byhetero
> show #!4 models
> select clear
> hide #!4 models
> show #!3 models
> hide #!8 models
> show #!7 models
> hide #!3 models
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
32 atoms, 33 bonds, 1 residue, 1 model selected
> color sel indian red
> color sel byhetero
> show #!3 models
> select clear
> select #3/R:198
20 atoms, 20 bonds, 1 residue, 1 model selected
> select up
627 atoms, 635 bonds, 36 residues, 1 model selected
> select up
786 atoms, 797 bonds, 45 residues, 1 model selected
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> hide sel atoms
> select up
20 atoms, 20 bonds, 1 residue, 1 model selected
> hide sel atoms
> select clear
> hide #!7 models
> hide #!3 models
> show #!10 models
> show #!12 models
> save
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/FIGURE.cxs
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 225, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 260, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001A2B8CF3DF0> -> <chimerax.basic_actions.tool.BasicActionsTool object at
0x000001A2A33F5250> 'Basic Actions': Error while saving session data for
'tools' -> <chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
ValueError: error processing: 'tools' -> -> 'Basic Actions': Error while
saving session data for 'tools' -> -> 'Basic Actions'
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 225, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 260, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display
run(session, cmd)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save
return cxs_save(session, path, **kw)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001A2B8CF3DF0> -> <chimerax.basic_actions.tool.BasicActionsTool object at
0x000001A2A33F5250> 'Basic Actions': Error while saving session data for
'tools' -> <chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
ValueError: error processing: 'tools' -> -> 'Basic Actions': Error while
saving session data for 'tools' -> -> 'Basic Actions'
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
> save
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/figure.cxs
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 225, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 260, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001A2B8CF3DF0> -> <chimerax.basic_actions.tool.BasicActionsTool object at
0x000001A2A33F5250> 'Basic Actions': Error while saving session data for
'tools' -> <chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
ValueError: error processing: 'tools' -> -> 'Basic Actions': Error while
saving session data for 'tools' -> -> 'Basic Actions'
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 225, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 260, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display
run(session, cmd)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save
return cxs_save(session, path, **kw)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001A2B8CF3DF0> -> <chimerax.basic_actions.tool.BasicActionsTool object at
0x000001A2A33F5250> 'Basic Actions': Error while saving session data for
'tools' -> <chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
ValueError: error processing: 'tools' -> -> 'Basic Actions': Error while
saving session data for 'tools' -> -> 'Basic Actions'
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
> save
> Z:/users/Alon/tas2r14_structure_project/virtual_screening_tas2r14Cryo/paper/figure.cxs
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 225, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 260, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001A2B8CF3DF0> -> <chimerax.basic_actions.tool.BasicActionsTool object at
0x000001A2A33F5250> 'Basic Actions': Error while saving session data for
'tools' -> <chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
ValueError: error processing: 'tools' -> -> 'Basic Actions': Error while
saving session data for 'tools' -> -> 'Basic Actions'
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 225, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\basic_actions\tool.py", line 260, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display
run(session, cmd)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save
return cxs_save(session, path, **kw)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001A2B8CF3DF0> -> <chimerax.basic_actions.tool.BasicActionsTool object at
0x000001A2A33F5250> 'Basic Actions': Error while saving session data for
'tools' -> <chimerax.core.tools.Tools object at 0x000001A2B8CF3DF0> ->
<chimerax.basic_actions.tool.BasicActionsTool object at 0x000001A2A33F5250>
'Basic Actions'
ValueError: error processing: 'tools' -> -> 'Basic Actions': Error while
saving session data for 'tools' -> -> 'Basic Actions'
File "C:\Program Files\ChimeraX 1.4\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
OpenGL version: 3.3.0 NVIDIA 560.94
OpenGL renderer: NVIDIA GeForce RTX 2080 Ti/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.9.11
Locale: en_IL.cp1252
Qt version: PyQt6 6.3.0, Qt 6.3.0
Qt runtime version: 6.3.0
Qt platform: windows
Manufacturer: Gigabyte Technology Co., Ltd.
Model: Z490 UD
OS: Microsoft Windows 11 Pro (Build 26100)
Memory: 68,600,172,544
MaxProcessMemory: 137,438,953,344
CPU: 16 Intel(R) Core(TM) i7-10700 CPU @ 2.90GHz
OSLanguage: en-US
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
Babel: 2.10.1
backcall: 0.2.0
blockdiag: 3.0.0
certifi: 2022.5.18.1
cftime: 1.6.0
charset-normalizer: 2.0.12
ChimeraX-AddCharge: 1.2.3
ChimeraX-AddH: 2.1.11
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2.1
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.4.3
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.0.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.0
ChimeraX-ArtiaX: 0.3
ChimeraX-Atomic: 1.39.1
ChimeraX-AtomicLibrary: 7.0
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.1
ChimeraX-BasicActions: 1.1
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.1.1
ChimeraX-BondRot: 2.0
ChimeraX-BugReporter: 1.0
ChimeraX-BuildStructure: 2.7
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.1
ChimeraX-ButtonPanel: 1.0
ChimeraX-CageBuilder: 1.0
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.2
ChimeraX-ChemGroup: 2.0
ChimeraX-Clashes: 2.2.4
ChimeraX-Clipper: 0.18.0
ChimeraX-ColorActions: 1.0
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.1
ChimeraX-CommandLine: 1.2.3
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0
ChimeraX-Core: 1.4
ChimeraX-CoreFormats: 1.1
ChimeraX-coulombic: 1.3.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0
ChimeraX-Cytoscape: 0.1
ChimeraX-DataFormats: 1.2.2
ChimeraX-DevelExtras: 0.4.2
ChimeraX-Dicom: 1.1
ChimeraX-DistMonitor: 1.1.5
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ExperimentalCommands: 1.0
ChimeraX-FileHistory: 1.0
ChimeraX-FunctionKey: 1.0
ChimeraX-GenomeTools: 0.9
ChimeraX-Geometry: 1.2
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.1
ChimeraX-Hbonds: 2.1.2
ChimeraX-Help: 1.2
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-ISOLDE: 1.4
ChimeraX-ItemsInspection: 1.0
ChimeraX-Label: 1.1.1
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.5
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.1
ChimeraX-Map: 1.1
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0
ChimeraX-MapFilter: 2.0
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1
ChimeraX-Markers: 1.0
ChimeraX-Mask: 1.0
ChimeraX-MatchMaker: 2.0.6
ChimeraX-MDcrds: 2.6
ChimeraX-MedicalToolbar: 1.0.1
ChimeraX-Meeting: 1.0
ChimeraX-MLP: 1.1
ChimeraX-mmCIF: 2.7
ChimeraX-MMTF: 2.1
ChimeraX-Modeller: 1.5.5
ChimeraX-ModelPanel: 1.3.2
ChimeraX-ModelSeries: 1.0
ChimeraX-Mol2: 2.0
ChimeraX-Morph: 1.0
ChimeraX-MouseModes: 1.1
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-NIHPresets: 1.2.3
ChimeraX-Nucleotides: 2.0.2
ChimeraX-OpenCommand: 1.9
ChimeraX-OpenCommands: 1.1.1
ChimeraX-PDB: 2.6.6
ChimeraX-PDBBio: 1.0
ChimeraX-PDBImages: 1.2
ChimeraX-PDBLibrary: 1.0.2
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0
ChimeraX-PICKLUSTER: 0.5
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-RealSense: 1.8
ChimeraX-Registration: 1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-ResidueFit: 1.0
ChimeraX-RestServer: 1.1
ChimeraX-RIBFIND: 0.2
ChimeraX-RMF: 0.14
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 2.0.1
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.6
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0
ChimeraX-Shortcuts: 1.1
ChimeraX-ShowAttr: 1.0
ChimeraX-ShowSequences: 1.0
ChimeraX-SideView: 1.0
ChimeraX-Smiles: 2.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StarMap: 1.2.15
ChimeraX-StdCommands: 1.8
ChimeraX-STL: 1.0
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.0.1
ChimeraX-StrudelScore: 0.2
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0
ChimeraX-SwapAA: 2.0
ChimeraX-SwapRes: 2.1.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-TestManager: 0.3
ChimeraX-Toolbar: 1.1.1
ChimeraX-ToolshedUtils: 1.2.1
ChimeraX-Tug: 1.0
ChimeraX-UI: 1.18.3
ChimeraX-uniprot: 2.2
ChimeraX-UnitCell: 1.0
ChimeraX-ViewDockX: 1.1.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0
ChimeraX-WebServices: 1.1.0
ChimeraX-XMAS: 1.1.2
ChimeraX-Zone: 1.0
colorama: 0.4.4
comtypes: 1.1.10
cxservices: 1.2
cycler: 0.11.0
Cython: 0.29.26
debugpy: 1.6.0
decorator: 5.1.1
docutils: 0.17.1
entrypoints: 0.4
filelock: 3.4.2
fonttools: 4.33.3
funcparserlib: 1.0.0
grako: 3.16.5
h5py: 3.7.0
html2text: 2020.1.16
idna: 3.3
ihm: 0.27
imagecodecs: 2021.11.20
imagesize: 1.3.0
ipykernel: 6.6.1
ipython: 7.31.1
ipython-genutils: 0.2.0
jedi: 0.18.1
Jinja2: 3.0.3
jupyter-client: 7.1.0
jupyter-core: 4.10.0
kiwisolver: 1.4.2
line-profiler: 3.4.0
lxml: 4.7.1
lz4: 3.1.10
MarkupSafe: 2.1.1
matplotlib: 3.5.1
matplotlib-inline: 0.1.3
MolecularDynamicsViewer: 1.4
msgpack: 1.0.3
nest-asyncio: 1.5.5
netCDF4: 1.5.8
networkx: 2.6.3
numexpr: 2.8.1
numpy: 1.22.1
openvr: 1.16.802
packaging: 21.3
ParmEd: 3.4.3
parso: 0.8.3
pickleshare: 0.7.5
Pillow: 9.0.1
pip: 21.3.1
pkginfo: 1.8.2
prompt-toolkit: 3.0.29
psutil: 5.9.0
pycollada: 0.7.2
pydicom: 2.2.2
Pygments: 2.11.2
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 3.0.9
PyQt6-commercial: 6.3.0
PyQt6-Qt6: 6.3.0
PyQt6-sip: 13.3.1
PyQt6-WebEngine-commercial: 6.3.0
PyQt6-WebEngine-Qt6: 6.3.0
python-dateutil: 2.8.2
pytz: 2022.1
pywin32: 303
pyzmq: 23.1.0
qtconsole: 5.3.0
QtPy: 2.1.0
RandomWords: 0.3.0
requests: 2.27.1
scipy: 1.7.3
Send2Trash: 1.8.3
SEQCROW: 1.8.10
setuptools: 59.8.0
sfftk-rw: 0.7.2
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
Sphinx: 4.3.2
sphinx-autodoc-typehints: 1.15.2
sphinxcontrib-applehelp: 1.0.2
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.2
sphinxcontrib-htmlhelp: 2.0.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.3
sphinxcontrib-serializinghtml: 1.1.5
suds-community: 1.0.0
tables: 3.7.0
tifffile: 2021.11.2
tinyarray: 1.2.4
tornado: 6.1
traitlets: 5.1.1
urllib3: 1.26.9
wcwidth: 0.2.5
webcolors: 1.11.1
wheel: 0.37.1
wheel-filename: 1.3.0
WMI: 1.5.1
Change History (2)
comment:1 by , 2 months ago
| Component: | Unassigned → General Controls |
|---|---|
| Description: | modified (diff) |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Basic Actions: 'QEventLoop' object has no attribute 'exec_' |
comment:2 by , 2 months ago
| Resolution: | → duplicate |
|---|---|
| Status: | accepted → closed |
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