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Opened 3 hours ago
#19986 new defect
ChimeraX bug report submission
| Reported by: | Owned by: | ||
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Unassigned | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | ||
| Project: |
Description
The following bug report has been submitted:
Platform: macOS-26.1-arm64-arm-64bit
ChimeraX Version: 1.11.1 (2026-01-23 05:51:34 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Bus error
Current thread 0x00000001fd396080 (most recent call first):
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/opengl.py", line 248 in swap_buffers
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/opengl.py", line 561 in swap_buffers
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/statusbar.py", line 166 in status
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/statusbar.py", line 98 in _expose_event
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 414 in event_loop
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1064 in init
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1229 in
File "", line 88 in _run_code
File "", line 198 in _run_module_as_main
Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, PIL._imaging, chimerax.map._map, psutil._psutil_osx, psutil._psutil_posix, chimerax.surface._surface, chimerax.pdb_lib._load_libs, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, PIL._imagingmath (total: 55)
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"procRole" : "Background",
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"procLaunch" : "2026-03-15 21:57:48.9552 -0400",
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"procExitAbsTime" : 25806719591290,
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"appleIntelligenceStatus" : {"state":"available"},
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"codeSigningTeamID" : "LWV8X224YF",
"codeSigningFlags" : 570491649,
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"codeSigningTrustLevel" : 4294967295,
"codeSigningAuxiliaryInfo" : 0,
"instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRFOD\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkQng\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="},
"bootSessionUUID" : "FD4E9D17-42BD-4A34-8209-627D82C07616",
"wakeTime" : 54544,
"sleepWakeUUID" : "49137583-B6D3-4230-837D-A8799321C35E",
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REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL
MALLOC_LARGE 5c4400000-5c62b0000 [ 30.7M] rw-\/rwx SM=PRV
GAP OF 0x3abd50000 BYTES
---> commpage (reserved) 972000000-c5c800000 [ 11.7G] ---\/--- SM=NUL reserved VM address space (unallocated)
MALLOC_SMALL c5c800000-c5cc00000 [ 4096K] rw-\/rwx SM=PRV ",
"exception" : {"codes":"0x0000000000000002, 0x0000000c00001200","rawCodes":[2,51539612160],"type":"EXC_BAD_ACCESS","signal":"SIGBUS","subtype":"KERN_PROTECTION_FAILURE at 0x0000000c00001200"},
"termination" : {"flags":0,"code":10,"namespace":"SIGNAL","indicator":"Bus error: 10","byProc":"ChimeraX","byPid":80556},
"vmregioninfo" : "0xc00001200 is in 0x972000000-0xc5c800000; bytes after start: 10972303872 bytes before end: 1551887871
REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL
MALLOC_LARGE 5c4400000-5c62b0000 [ 30.7M] rw-\/rwx SM=PRV
GAP OF 0x3abd50000 BYTES
---> commpage (reserved) 972000000-c5c800000 [ 11.7G] ---\/--- SM=NUL reserved VM address space (unallocated)
MALLOC_SMALL c5c800000-c5cc00000 [ 4096K] rw-\/rwx SM=PRV ",
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===== Log before crash start =====
UCSF ChimeraX version: 1.11.1 (2026-01-23)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open /Users/king/Desktop/project/alphafold/1qj8.pdb
Chain information for 1qj8.pdb #1
---
Chain | Description
A | No description available
Computing secondary structure
> view orient
> view initial
> graphics axis true
Expected a keyword
> view
> view x
Expected an objects specifier or a view name or a keyword
> shape rectangle width 80 height 80 color tan
> move z 10 models #2
> move z -100 models #2
> undo
> move x -100 models #2
> move y -100 models #2
> move y 20 models #2
> open /Users/king/Desktop/project/alphafold/ompx/AF-P0A917-F1-model_v6.pdb
AF-P0A917-F1-model_v6.pdb title:
Alphafold monomer V2.0 prediction for outer membrane protein X (P0A917) [more
info...]
Chain information for AF-P0A917-F1-model_v6.pdb #3
---
Chain | Description | UniProt
A | outer membrane protein X | OMPX_ECOLI 1-171
Computing secondary structure
> matchmaker #3 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 1qj8.pdb, chain A (#1) with AF-P0A917-F1-model_v6.pdb, chain A
(#3), sequence alignment score = 791.7
RMSD between 148 pruned atom pairs is 0.559 angstroms; (across all 148 pairs:
0.559)
> hide #2 models
> show #2 models
> hide #3 models
> show #3 models
> hide #1 models
> select add #3
1314 atoms, 1346 bonds, 171 residues, 1 model selected
> color sel lime
> color sel cyan
> color sel gray
> color sel light gray
> ui tool show "Show Sequence Viewer"
> select :36-44
139 atoms, 130 bonds, 27 residues, 2 models selected
> color (#3 & sel) red
> select :70-85
258 atoms, 259 bonds, 35 residues, 2 models selected
> color (#3 & sel) orange
> select :110-129
330 atoms, 335 bonds, 44 residues, 2 models selected
> color (#3 & sel) forest green
> select :154-160
64 atoms, 61 bonds, 9 residues, 2 models selected
> color (#3 & sel) blue
> move y 20 models #2
> move y -10 models #2
> show #1 models
> hide #3 models
> show #3 models
> ui tool show "Show Sequence Viewer"
> sequence chain #3/A
Alignment identifier is 3/A
> hide #3 models
> select: 36-44
Unknown command: select: 36-44
> select: 36-44.A
Unknown command: select: 36-44.A
> select #3/A:17-70
397 atoms, 403 bonds, 54 residues, 1 model selected
> select #3/A:17-20
23 atoms, 22 bonds, 4 residues, 1 model selected
> select #3/A:17-20
23 atoms, 22 bonds, 4 residues, 1 model selected
> select #3/A:23
5 atoms, 4 bonds, 1 residue, 1 model selected
> select #3/A:23-28
37 atoms, 36 bonds, 6 residues, 1 model selected
> select #3/A:29-30
11 atoms, 10 bonds, 2 residues, 1 model selected
> select #3/A:29-31
15 atoms, 14 bonds, 3 residues, 1 model selected
> select #3/A:33-34
14 atoms, 13 bonds, 2 residues, 1 model selected
> select #3/A:33-34
14 atoms, 13 bonds, 2 residues, 1 model selected
> select #3/A:36
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:36-41
43 atoms, 42 bonds, 6 residues, 1 model selected
> select #3/A:36
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:36-45
72 atoms, 71 bonds, 10 residues, 1 model selected
> select #3/A:36
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:36-44
68 atoms, 67 bonds, 9 residues, 1 model selected
> color #1-2 red
> undo
> select #3/A:24-37,44-55,60-74,80-97,100-117,121-138,144-155,158-171
950 atoms, 968 bonds, 121 residues, 1 model selected
> ui tool show "Show Sequence Viewer"
> sequence chain #1/A
Alignment identifier is 1/A
> select #1/A:7
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #1/A:7-12
40 atoms, 40 bonds, 6 residues, 1 model selected
> select #1/A:14
5 atoms, 4 bonds, 1 residue, 1 model selected
> select #1/A:14-19
43 atoms, 42 bonds, 6 residues, 1 model selected
> select #1/A:21
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:21-24
27 atoms, 27 bonds, 4 residues, 1 model selected
> select #1/A:32
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/A:32-38
50 atoms, 50 bonds, 7 residues, 1 model selected
> select #1/A:36
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:36-45
74 atoms, 76 bonds, 10 residues, 1 model selected
> select #1/A:29
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #1/A:29-32
41 atoms, 41 bonds, 4 residues, 1 model selected
> select #1/A:27-32
62 atoms, 63 bonds, 6 residues, 1 model selected
> select #1/A:27-32
62 atoms, 63 bonds, 6 residues, 1 model selected
> select #1/A:37
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:37-40
27 atoms, 26 bonds, 4 residues, 1 model selected
> select #1/A:25
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:16-25
73 atoms, 73 bonds, 10 residues, 1 model selected
> select #1/A:16-17
13 atoms, 12 bonds, 2 residues, 1 model selected
> select #1/A:14-17
27 atoms, 26 bonds, 4 residues, 1 model selected
> select #1/A:14
5 atoms, 4 bonds, 1 residue, 1 model selected
> select #1/A:10-14
33 atoms, 32 bonds, 5 residues, 1 model selected
> hide #1 models
> show #3 models
> show #1 models
> select #1/A:13
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:13-17
35 atoms, 34 bonds, 5 residues, 1 model selected
> hide #3 models
> select #1/A:13
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:13-21
68 atoms, 67 bonds, 9 residues, 1 model selected
> color sel red
> select #1/A:47
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/A:47-62
129 atoms, 130 bonds, 16 residues, 1 model selected
> color sel orange
> select #1/A:87
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #1/A:87-106
168 atoms, 173 bonds, 20 residues, 1 model selected
> color sel forest green
> select #1/A:131
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #1/A:131-137
58 atoms, 57 bonds, 7 residues, 1 model selected
> color sel blue
> show #3 models
> hide #3 models
> show #3 models
> hide #3 models
> show #3 models
> hide #3 models
> show #3 models
> hide #3 models
Unsupported scale factor (0.000000) detected on Display0
> save /Users/king/Desktop/project/alphafold/ompx/3.15.cxs
Desktop color scheme is light
> hide #1 models
> show #3 models
> measure center #2
Center of area of surface rectangle #2 = (-6.48, -9.04, 15.06)
Desktop color scheme is dark
Desktop color scheme is light
> select #1/A:2-14,21-31,37-51,57-74,77-94,98-115,121-132,135-147
922 atoms, 938 bonds, 118 residues, 1 model selected
> select #1/A:131-137
58 atoms, 57 bonds, 7 residues, 1 model selected
> select #1/A:31
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/A:31-32
18 atoms, 17 bonds, 2 residues, 1 model selected
> select #1/A:2-14,21-31,37-51,57-74,77-94,98-115,121-132,135-147
922 atoms, 938 bonds, 118 residues, 1 model selected
> select #1/A:54
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/A:54-55
10 atoms, 9 bonds, 2 residues, 1 model selected
> Select ~sel
Unknown command: Select ~sel
> style #3 stick
Changed 1314 atom styles
> style #3 stick
Changed 1314 atom styles
> style #3 sphere
Changed 1314 atom styles
> style #3 sphere
Changed 1314 atom styles
> ui tool show "Show Sequence Viewer"
> sequence chain #3/A
Alignment identifier is 3/A
> show #1 models
> hide #1 models
> show #1 models
> hide #1 models
> show #1 models
> hide #1 models
> show #1 models
> hide #1 models
> open "/Users/king/Desktop/project/alphafold/ompx/exp - 2M06.cif"
exp - 2M06.cif title:
NMR structure of OmpX in phopspholipid nanodiscs [more info...]
Chain information for exp - 2M06.cif
---
Chain | Description | UniProt
4.1/A 4.2/A 4.3/A 4.4/A 4.5/A 4.6/A 4.7/A 4.8/A 4.9/A 4.10/A 4.11/A 4.12/A 4.13/A 4.14/A 4.15/A 4.16/A 4.17/A 4.18/A 4.19/A 4.20/A | Outer membrane protein X | OMPX_ECOLI 1-148
> ui tool show "Show Sequence Viewer"
> select #4.1/A:1-148
2229 atoms, 2260 bonds, 148 residues, 1 model selected
> ui tool show "Show Sequence Viewer"
> sequence chain #4.1/A #4.2/A #4.3/A #4.4/A #4.5/A #4.6/A #4.7/A #4.8/A
> #4.9/A #4.10/A #4.11/A #4.12/A #4.13/A #4.14/A #4.15/A #4.16/A #4.17/A
> #4.18/A #4.19/A #4.20/A
Alignment identifier is 1
> matchmaker #4.1 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 1qj8.pdb, chain A (#1) with exp - 2M06.cif, chain A (#4.1),
sequence alignment score = 716.1
RMSD between 89 pruned atom pairs is 1.352 angstroms; (across all 148 pairs:
4.602)
> matchmaker #4.1 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.1), sequence alignment score = 718.6
RMSD between 98 pruned atom pairs is 1.232 angstroms; (across all 148 pairs:
4.317)
> hide #2 models
> ui tool show "Show Sequence Viewer"
> sequence chain #3/A
Alignment identifier is 3/A
> select #3/A:1
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:1-22
149 atoms, 149 bonds, 22 residues, 1 model selected
> ui tool show "Show Sequence Viewer"
> sequence chain #4.1/A #4.2/A #4.3/A #4.4/A #4.5/A #4.6/A #4.7/A #4.8/A
> #4.9/A #4.10/A #4.11/A #4.12/A #4.13/A #4.14/A #4.15/A #4.16/A #4.17/A
> #4.18/A #4.19/A #4.20/A
Alignment identifier is 1
> select #4.1/A:1 #4.2/A:1 #4.3/A:1 #4.4/A:1 #4.5/A:1 #4.6/A:1 #4.7/A:1
> #4.8/A:1 #4.9/A:1 #4.10/A:1 #4.11/A:1 #4.12/A:1 #4.13/A:1 #4.14/A:1
> #4.15/A:1 #4.16/A:1 #4.17/A:1 #4.18/A:1 #4.19/A:1 #4.20/A:1
240 atoms, 220 bonds, 20 residues, 20 models selected
> select #4.1/A #4.2/A #4.3/A #4.4/A #4.5/A #4.6/A #4.7/A #4.8/A #4.9/A
> #4.10/A #4.11/A #4.12/A #4.13/A #4.14/A #4.15/A #4.16/A #4.17/A #4.18/A
> #4.19/A #4.20/A
44580 atoms, 45200 bonds, 2960 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [1-148] RMSD: 36.163
> color sel purple
> color sel dark gray
> color sel black
> color sel hot pink
> color sel light sea green
> select #4.1/A:13 #4.2/A:13 #4.3/A:13 #4.4/A:13 #4.5/A:13 #4.6/A:13 #4.7/A:13
> #4.8/A:13 #4.9/A:13 #4.10/A:13 #4.11/A:13 #4.12/A:13 #4.13/A:13 #4.14/A:13
> #4.15/A:13 #4.16/A:13 #4.17/A:13 #4.18/A:13 #4.19/A:13 #4.20/A:13
240 atoms, 220 bonds, 20 residues, 20 models selected
> select #4.1/A:13-21 #4.2/A:13-21 #4.3/A:13-21 #4.4/A:13-21 #4.5/A:13-21
> #4.6/A:13-21 #4.7/A:13-21 #4.8/A:13-21 #4.9/A:13-21 #4.10/A:13-21
> #4.11/A:13-21 #4.12/A:13-21 #4.13/A:13-21 #4.14/A:13-21 #4.15/A:13-21
> #4.16/A:13-21 #4.17/A:13-21 #4.18/A:13-21 #4.19/A:13-21 #4.20/A:13-21
2660 atoms, 2640 bonds, 180 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [13-21] RMSD: 35.183
> color sel dim gray
> show #2 models
> select #4.1/A:47 #4.2/A:47 #4.3/A:47 #4.4/A:47 #4.5/A:47 #4.6/A:47 #4.7/A:47
> #4.8/A:47 #4.9/A:47 #4.10/A:47 #4.11/A:47 #4.12/A:47 #4.13/A:47 #4.14/A:47
> #4.15/A:47 #4.16/A:47 #4.17/A:47 #4.18/A:47 #4.19/A:47 #4.20/A:47
300 atoms, 280 bonds, 20 residues, 20 models selected
> select #4.1/A:47-62 #4.2/A:47-62 #4.3/A:47-62 #4.4/A:47-62 #4.5/A:47-62
> #4.6/A:47-62 #4.7/A:47-62 #4.8/A:47-62 #4.9/A:47-62 #4.10/A:47-62
> #4.11/A:47-62 #4.12/A:47-62 #4.13/A:47-62 #4.14/A:47-62 #4.15/A:47-62
> #4.16/A:47-62 #4.17/A:47-62 #4.18/A:47-62 #4.19/A:47-62 #4.20/A:47-62
4920 atoms, 4940 bonds, 320 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [47-62] RMSD: 41.843
> color sel dim gray
> color sel dark gray
> color sel dim gray
> select #4.1/A:87 #4.2/A:87 #4.3/A:87 #4.4/A:87 #4.5/A:87 #4.6/A:87 #4.7/A:87
> #4.8/A:87 #4.9/A:87 #4.10/A:87 #4.11/A:87 #4.12/A:87 #4.13/A:87 #4.14/A:87
> #4.15/A:87 #4.16/A:87 #4.17/A:87 #4.18/A:87 #4.19/A:87 #4.20/A:87
420 atoms, 420 bonds, 20 residues, 20 models selected
> select #4.1/A:87-106 #4.2/A:87-106 #4.3/A:87-106 #4.4/A:87-106 #4.5/A:87-106
> #4.6/A:87-106 #4.7/A:87-106 #4.8/A:87-106 #4.9/A:87-106 #4.10/A:87-106
> #4.11/A:87-106 #4.12/A:87-106 #4.13/A:87-106 #4.14/A:87-106 #4.15/A:87-106
> #4.16/A:87-106 #4.17/A:87-106 #4.18/A:87-106 #4.19/A:87-106 #4.20/A:87-106
6320 atoms, 6440 bonds, 400 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [87-106] RMSD: 38.635
> color sel dim gray
> select #4.1/A:131 #4.2/A:131 #4.3/A:131 #4.4/A:131 #4.5/A:131 #4.6/A:131
> #4.7/A:131 #4.8/A:131 #4.9/A:131 #4.10/A:131 #4.11/A:131 #4.12/A:131
> #4.13/A:131 #4.14/A:131 #4.15/A:131 #4.16/A:131 #4.17/A:131 #4.18/A:131
> #4.19/A:131 #4.20/A:131
480 atoms, 460 bonds, 20 residues, 20 models selected
> select #4.1/A:131-137 #4.2/A:131-137 #4.3/A:131-137 #4.4/A:131-137
> #4.5/A:131-137 #4.6/A:131-137 #4.7/A:131-137 #4.8/A:131-137 #4.9/A:131-137
> #4.10/A:131-137 #4.11/A:131-137 #4.12/A:131-137 #4.13/A:131-137
> #4.14/A:131-137 #4.15/A:131-137 #4.16/A:131-137 #4.17/A:131-137
> #4.18/A:131-137 #4.19/A:131-137 #4.20/A:131-137
2440 atoms, 2420 bonds, 140 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [131-137] RMSD: 31.999
> color sel dim gray
> select #4.1/A:55-56 #4.2/A:55-56 #4.3/A:55-56 #4.4/A:55-56 #4.5/A:55-56
> #4.6/A:55-56 #4.7/A:55-56 #4.8/A:55-56 #4.9/A:55-56 #4.10/A:55-56
> #4.11/A:55-56 #4.12/A:55-56 #4.13/A:55-56 #4.14/A:55-56 #4.15/A:55-56
> #4.16/A:55-56 #4.17/A:55-56 #4.18/A:55-56 #4.19/A:55-56 #4.20/A:55-56
380 atoms, 360 bonds, 40 residues, 20 models selected
> select #4.1/A:55-56 #4.2/A:55-56 #4.3/A:55-56 #4.4/A:55-56 #4.5/A:55-56
> #4.6/A:55-56 #4.7/A:55-56 #4.8/A:55-56 #4.9/A:55-56 #4.10/A:55-56
> #4.11/A:55-56 #4.12/A:55-56 #4.13/A:55-56 #4.14/A:55-56 #4.15/A:55-56
> #4.16/A:55-56 #4.17/A:55-56 #4.18/A:55-56 #4.19/A:55-56 #4.20/A:55-56
380 atoms, 360 bonds, 40 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [55-56] RMSD: 44.406
> select #4.1/A:93 #4.2/A:93 #4.3/A:93 #4.4/A:93 #4.5/A:93 #4.6/A:93 #4.7/A:93
> #4.8/A:93 #4.9/A:93 #4.10/A:93 #4.11/A:93 #4.12/A:93 #4.13/A:93 #4.14/A:93
> #4.15/A:93 #4.16/A:93 #4.17/A:93 #4.18/A:93 #4.19/A:93 #4.20/A:93
280 atoms, 260 bonds, 20 residues, 20 models selected
> select #4.1/A:93-96 #4.2/A:93-96 #4.3/A:93-96 #4.4/A:93-96 #4.5/A:93-96
> #4.6/A:93-96 #4.7/A:93-96 #4.8/A:93-96 #4.9/A:93-96 #4.10/A:93-96
> #4.11/A:93-96 #4.12/A:93-96 #4.13/A:93-96 #4.14/A:93-96 #4.15/A:93-96
> #4.16/A:93-96 #4.17/A:93-96 #4.18/A:93-96 #4.19/A:93-96 #4.20/A:93-96
1280 atoms, 1300 bonds, 80 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [93-96] RMSD: 41.957
> select #4.1/A:94 #4.2/A:94 #4.3/A:94 #4.4/A:94 #4.5/A:94 #4.6/A:94 #4.7/A:94
> #4.8/A:94 #4.9/A:94 #4.10/A:94 #4.11/A:94 #4.12/A:94 #4.13/A:94 #4.14/A:94
> #4.15/A:94 #4.16/A:94 #4.17/A:94 #4.18/A:94 #4.19/A:94 #4.20/A:94
300 atoms, 280 bonds, 20 residues, 20 models selected
> select #4.1/A:94-95 #4.2/A:94-95 #4.3/A:94-95 #4.4/A:94-95 #4.5/A:94-95
> #4.6/A:94-95 #4.7/A:94-95 #4.8/A:94-95 #4.9/A:94-95 #4.10/A:94-95
> #4.11/A:94-95 #4.12/A:94-95 #4.13/A:94-95 #4.14/A:94-95 #4.15/A:94-95
> #4.16/A:94-95 #4.17/A:94-95 #4.18/A:94-95 #4.19/A:94-95 #4.20/A:94-95
720 atoms, 720 bonds, 40 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [94-95] RMSD: 42.035
> select #4.1/A:96 #4.2/A:96 #4.3/A:96 #4.4/A:96 #4.5/A:96 #4.6/A:96 #4.7/A:96
> #4.8/A:96 #4.9/A:96 #4.10/A:96 #4.11/A:96 #4.12/A:96 #4.13/A:96 #4.14/A:96
> #4.15/A:96 #4.16/A:96 #4.17/A:96 #4.18/A:96 #4.19/A:96 #4.20/A:96
280 atoms, 280 bonds, 20 residues, 20 models selected
> select #4.1/A:96-97 #4.2/A:96-97 #4.3/A:96-97 #4.4/A:96-97 #4.5/A:96-97
> #4.6/A:96-97 #4.7/A:96-97 #4.8/A:96-97 #4.9/A:96-97 #4.10/A:96-97
> #4.11/A:96-97 #4.12/A:96-97 #4.13/A:96-97 #4.14/A:96-97 #4.15/A:96-97
> #4.16/A:96-97 #4.17/A:96-97 #4.18/A:96-97 #4.19/A:96-97 #4.20/A:96-97
560 atoms, 560 bonds, 40 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [96-97] RMSD: 40.494
> select #4.1/A:95 #4.2/A:95 #4.3/A:95 #4.4/A:95 #4.5/A:95 #4.6/A:95 #4.7/A:95
> #4.8/A:95 #4.9/A:95 #4.10/A:95 #4.11/A:95 #4.12/A:95 #4.13/A:95 #4.14/A:95
> #4.15/A:95 #4.16/A:95 #4.17/A:95 #4.18/A:95 #4.19/A:95 #4.20/A:95
420 atoms, 420 bonds, 20 residues, 20 models selected
> select #4.1/A:95-96 #4.2/A:95-96 #4.3/A:95-96 #4.4/A:95-96 #4.5/A:95-96
> #4.6/A:95-96 #4.7/A:95-96 #4.8/A:95-96 #4.9/A:95-96 #4.10/A:95-96
> #4.11/A:95-96 #4.12/A:95-96 #4.13/A:95-96 #4.14/A:95-96 #4.15/A:95-96
> #4.16/A:95-96 #4.17/A:95-96 #4.18/A:95-96 #4.19/A:95-96 #4.20/A:95-96
700 atoms, 720 bonds, 40 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [95-96] RMSD: 41.225
> select #4.1/A:96 #4.2/A:96 #4.3/A:96 #4.4/A:96 #4.5/A:96 #4.6/A:96 #4.7/A:96
> #4.8/A:96 #4.9/A:96 #4.10/A:96 #4.11/A:96 #4.12/A:96 #4.13/A:96 #4.14/A:96
> #4.15/A:96 #4.16/A:96 #4.17/A:96 #4.18/A:96 #4.19/A:96 #4.20/A:96
280 atoms, 280 bonds, 20 residues, 20 models selected
> select #4.1/A:95-96 #4.2/A:95-96 #4.3/A:95-96 #4.4/A:95-96 #4.5/A:95-96
> #4.6/A:95-96 #4.7/A:95-96 #4.8/A:95-96 #4.9/A:95-96 #4.10/A:95-96
> #4.11/A:95-96 #4.12/A:95-96 #4.13/A:95-96 #4.14/A:95-96 #4.15/A:95-96
> #4.16/A:95-96 #4.17/A:95-96 #4.18/A:95-96 #4.19/A:95-96 #4.20/A:95-96
700 atoms, 720 bonds, 40 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [95-96] RMSD: 41.225
> select #4.1/A:96 #4.2/A:96 #4.3/A:96 #4.4/A:96 #4.5/A:96 #4.6/A:96 #4.7/A:96
> #4.8/A:96 #4.9/A:96 #4.10/A:96 #4.11/A:96 #4.12/A:96 #4.13/A:96 #4.14/A:96
> #4.15/A:96 #4.16/A:96 #4.17/A:96 #4.18/A:96 #4.19/A:96 #4.20/A:96
280 atoms, 280 bonds, 20 residues, 20 models selected
> select #4.1/A:95-96 #4.2/A:95-96 #4.3/A:95-96 #4.4/A:95-96 #4.5/A:95-96
> #4.6/A:95-96 #4.7/A:95-96 #4.8/A:95-96 #4.9/A:95-96 #4.10/A:95-96
> #4.11/A:95-96 #4.12/A:95-96 #4.13/A:95-96 #4.14/A:95-96 #4.15/A:95-96
> #4.16/A:95-96 #4.17/A:95-96 #4.18/A:95-96 #4.19/A:95-96 #4.20/A:95-96
700 atoms, 720 bonds, 40 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [95-96] RMSD: 41.225
> select #4.1/A:96 #4.2/A:96 #4.3/A:96 #4.4/A:96 #4.5/A:96 #4.6/A:96 #4.7/A:96
> #4.8/A:96 #4.9/A:96 #4.10/A:96 #4.11/A:96 #4.12/A:96 #4.13/A:96 #4.14/A:96
> #4.15/A:96 #4.16/A:96 #4.17/A:96 #4.18/A:96 #4.19/A:96 #4.20/A:96
280 atoms, 280 bonds, 20 residues, 20 models selected
> select #4.1/A:96-97 #4.2/A:96-97 #4.3/A:96-97 #4.4/A:96-97 #4.5/A:96-97
> #4.6/A:96-97 #4.7/A:96-97 #4.8/A:96-97 #4.9/A:96-97 #4.10/A:96-97
> #4.11/A:96-97 #4.12/A:96-97 #4.13/A:96-97 #4.14/A:96-97 #4.15/A:96-97
> #4.16/A:96-97 #4.17/A:96-97 #4.18/A:96-97 #4.19/A:96-97 #4.20/A:96-97
560 atoms, 560 bonds, 40 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [96-97] RMSD: 40.494
> select #4.1/A:96 #4.2/A:96 #4.3/A:96 #4.4/A:96 #4.5/A:96 #4.6/A:96 #4.7/A:96
> #4.8/A:96 #4.9/A:96 #4.10/A:96 #4.11/A:96 #4.12/A:96 #4.13/A:96 #4.14/A:96
> #4.15/A:96 #4.16/A:96 #4.17/A:96 #4.18/A:96 #4.19/A:96 #4.20/A:96
280 atoms, 280 bonds, 20 residues, 20 models selected
> select #4.1/A:96 #4.2/A:96 #4.3/A:96 #4.4/A:96 #4.5/A:96 #4.6/A:96 #4.7/A:96
> #4.8/A:96 #4.9/A:96 #4.10/A:96 #4.11/A:96 #4.12/A:96 #4.13/A:96 #4.14/A:96
> #4.15/A:96 #4.16/A:96 #4.17/A:96 #4.18/A:96 #4.19/A:96 #4.20/A:96
280 atoms, 280 bonds, 20 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [96] RMSD: 41.038
> matchmaker #4.1 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.1), sequence alignment score = 718.6
RMSD between 98 pruned atom pairs is 1.232 angstroms; (across all 148 pairs:
4.317)
> info atoms sel
atom id #4.1/A:96@N idatm_type Npl
atom id #4.1/A:96@CA idatm_type C3
atom id #4.1/A:96@C idatm_type C2
atom id #4.1/A:96@O idatm_type O2
atom id #4.1/A:96@CB idatm_type C3
atom id #4.1/A:96@CG idatm_type C3
atom id #4.1/A:96@CD idatm_type C3
atom id #4.1/A:96@HA idatm_type HC
atom id #4.1/A:96@HB2 idatm_type HC
atom id #4.1/A:96@HB3 idatm_type HC
atom id #4.1/A:96@HG2 idatm_type HC
atom id #4.1/A:96@HG3 idatm_type HC
atom id #4.1/A:96@HD2 idatm_type HC
atom id #4.1/A:96@HD3 idatm_type HC
atom id #4.2/A:96@N idatm_type Npl
atom id #4.2/A:96@CA idatm_type C3
atom id #4.2/A:96@C idatm_type C2
atom id #4.2/A:96@O idatm_type O2
atom id #4.2/A:96@CB idatm_type C3
atom id #4.2/A:96@CG idatm_type C3
atom id #4.2/A:96@CD idatm_type C3
atom id #4.2/A:96@HA idatm_type HC
atom id #4.2/A:96@HB2 idatm_type HC
atom id #4.2/A:96@HB3 idatm_type HC
atom id #4.2/A:96@HG2 idatm_type HC
atom id #4.2/A:96@HG3 idatm_type HC
atom id #4.2/A:96@HD2 idatm_type HC
atom id #4.2/A:96@HD3 idatm_type HC
atom id #4.3/A:96@N idatm_type Npl
atom id #4.3/A:96@CA idatm_type C3
atom id #4.3/A:96@C idatm_type C2
atom id #4.3/A:96@O idatm_type O2
atom id #4.3/A:96@CB idatm_type C3
atom id #4.3/A:96@CG idatm_type C3
atom id #4.3/A:96@CD idatm_type C3
atom id #4.3/A:96@HA idatm_type HC
atom id #4.3/A:96@HB2 idatm_type HC
atom id #4.3/A:96@HB3 idatm_type HC
atom id #4.3/A:96@HG2 idatm_type HC
atom id #4.3/A:96@HG3 idatm_type HC
atom id #4.3/A:96@HD2 idatm_type HC
atom id #4.3/A:96@HD3 idatm_type HC
atom id #4.4/A:96@N idatm_type Npl
atom id #4.4/A:96@CA idatm_type C3
atom id #4.4/A:96@C idatm_type C2
atom id #4.4/A:96@O idatm_type O2
atom id #4.4/A:96@CB idatm_type C3
atom id #4.4/A:96@CG idatm_type C3
atom id #4.4/A:96@CD idatm_type C3
atom id #4.4/A:96@HA idatm_type HC
atom id #4.4/A:96@HB2 idatm_type HC
atom id #4.4/A:96@HB3 idatm_type HC
atom id #4.4/A:96@HG2 idatm_type HC
atom id #4.4/A:96@HG3 idatm_type HC
atom id #4.4/A:96@HD2 idatm_type HC
atom id #4.4/A:96@HD3 idatm_type HC
atom id #4.5/A:96@N idatm_type Npl
atom id #4.5/A:96@CA idatm_type C3
atom id #4.5/A:96@C idatm_type C2
atom id #4.5/A:96@O idatm_type O2
atom id #4.5/A:96@CB idatm_type C3
atom id #4.5/A:96@CG idatm_type C3
atom id #4.5/A:96@CD idatm_type C3
atom id #4.5/A:96@HA idatm_type HC
atom id #4.5/A:96@HB2 idatm_type HC
atom id #4.5/A:96@HB3 idatm_type HC
atom id #4.5/A:96@HG2 idatm_type HC
atom id #4.5/A:96@HG3 idatm_type HC
atom id #4.5/A:96@HD2 idatm_type HC
atom id #4.5/A:96@HD3 idatm_type HC
atom id #4.6/A:96@N idatm_type Npl
atom id #4.6/A:96@CA idatm_type C3
atom id #4.6/A:96@C idatm_type C2
atom id #4.6/A:96@O idatm_type O2
atom id #4.6/A:96@CB idatm_type C3
atom id #4.6/A:96@CG idatm_type C3
atom id #4.6/A:96@CD idatm_type C3
atom id #4.6/A:96@HA idatm_type HC
atom id #4.6/A:96@HB2 idatm_type HC
atom id #4.6/A:96@HB3 idatm_type HC
atom id #4.6/A:96@HG2 idatm_type HC
atom id #4.6/A:96@HG3 idatm_type HC
atom id #4.6/A:96@HD2 idatm_type HC
atom id #4.6/A:96@HD3 idatm_type HC
atom id #4.7/A:96@N idatm_type Npl
atom id #4.7/A:96@CA idatm_type C3
atom id #4.7/A:96@C idatm_type C2
atom id #4.7/A:96@O idatm_type O2
atom id #4.7/A:96@CB idatm_type C3
atom id #4.7/A:96@CG idatm_type C3
atom id #4.7/A:96@CD idatm_type C3
atom id #4.7/A:96@HA idatm_type HC
atom id #4.7/A:96@HB2 idatm_type HC
atom id #4.7/A:96@HB3 idatm_type HC
atom id #4.7/A:96@HG2 idatm_type HC
atom id #4.7/A:96@HG3 idatm_type HC
atom id #4.7/A:96@HD2 idatm_type HC
atom id #4.7/A:96@HD3 idatm_type HC
atom id #4.8/A:96@N idatm_type Npl
atom id #4.8/A:96@CA idatm_type C3
atom id #4.8/A:96@C idatm_type C2
atom id #4.8/A:96@O idatm_type O2
atom id #4.8/A:96@CB idatm_type C3
atom id #4.8/A:96@CG idatm_type C3
atom id #4.8/A:96@CD idatm_type C3
atom id #4.8/A:96@HA idatm_type HC
atom id #4.8/A:96@HB2 idatm_type HC
atom id #4.8/A:96@HB3 idatm_type HC
atom id #4.8/A:96@HG2 idatm_type HC
atom id #4.8/A:96@HG3 idatm_type HC
atom id #4.8/A:96@HD2 idatm_type HC
atom id #4.8/A:96@HD3 idatm_type HC
atom id #4.9/A:96@N idatm_type Npl
atom id #4.9/A:96@CA idatm_type C3
atom id #4.9/A:96@C idatm_type C2
atom id #4.9/A:96@O idatm_type O2
atom id #4.9/A:96@CB idatm_type C3
atom id #4.9/A:96@CG idatm_type C3
atom id #4.9/A:96@CD idatm_type C3
atom id #4.9/A:96@HA idatm_type HC
atom id #4.9/A:96@HB2 idatm_type HC
atom id #4.9/A:96@HB3 idatm_type HC
atom id #4.9/A:96@HG2 idatm_type HC
atom id #4.9/A:96@HG3 idatm_type HC
atom id #4.9/A:96@HD2 idatm_type HC
atom id #4.9/A:96@HD3 idatm_type HC
atom id #4.10/A:96@N idatm_type Npl
atom id #4.10/A:96@CA idatm_type C3
atom id #4.10/A:96@C idatm_type C2
atom id #4.10/A:96@O idatm_type O2
atom id #4.10/A:96@CB idatm_type C3
atom id #4.10/A:96@CG idatm_type C3
atom id #4.10/A:96@CD idatm_type C3
atom id #4.10/A:96@HA idatm_type HC
atom id #4.10/A:96@HB2 idatm_type HC
atom id #4.10/A:96@HB3 idatm_type HC
atom id #4.10/A:96@HG2 idatm_type HC
atom id #4.10/A:96@HG3 idatm_type HC
atom id #4.10/A:96@HD2 idatm_type HC
atom id #4.10/A:96@HD3 idatm_type HC
atom id #4.11/A:96@N idatm_type Npl
atom id #4.11/A:96@CA idatm_type C3
atom id #4.11/A:96@C idatm_type C2
atom id #4.11/A:96@O idatm_type O2
atom id #4.11/A:96@CB idatm_type C3
atom id #4.11/A:96@CG idatm_type C3
atom id #4.11/A:96@CD idatm_type C3
atom id #4.11/A:96@HA idatm_type HC
atom id #4.11/A:96@HB2 idatm_type HC
atom id #4.11/A:96@HB3 idatm_type HC
atom id #4.11/A:96@HG2 idatm_type HC
atom id #4.11/A:96@HG3 idatm_type HC
atom id #4.11/A:96@HD2 idatm_type HC
atom id #4.11/A:96@HD3 idatm_type HC
atom id #4.12/A:96@N idatm_type Npl
atom id #4.12/A:96@CA idatm_type C3
atom id #4.12/A:96@C idatm_type C2
atom id #4.12/A:96@O idatm_type O2
atom id #4.12/A:96@CB idatm_type C3
atom id #4.12/A:96@CG idatm_type C3
atom id #4.12/A:96@CD idatm_type C3
atom id #4.12/A:96@HA idatm_type HC
atom id #4.12/A:96@HB2 idatm_type HC
atom id #4.12/A:96@HB3 idatm_type HC
atom id #4.12/A:96@HG2 idatm_type HC
atom id #4.12/A:96@HG3 idatm_type HC
atom id #4.12/A:96@HD2 idatm_type HC
atom id #4.12/A:96@HD3 idatm_type HC
atom id #4.13/A:96@N idatm_type Npl
atom id #4.13/A:96@CA idatm_type C3
atom id #4.13/A:96@C idatm_type C2
atom id #4.13/A:96@O idatm_type O2
atom id #4.13/A:96@CB idatm_type C3
atom id #4.13/A:96@CG idatm_type C3
atom id #4.13/A:96@CD idatm_type C3
atom id #4.13/A:96@HA idatm_type HC
atom id #4.13/A:96@HB2 idatm_type HC
atom id #4.13/A:96@HB3 idatm_type HC
atom id #4.13/A:96@HG2 idatm_type HC
atom id #4.13/A:96@HG3 idatm_type HC
atom id #4.13/A:96@HD2 idatm_type HC
atom id #4.13/A:96@HD3 idatm_type HC
atom id #4.14/A:96@N idatm_type Npl
atom id #4.14/A:96@CA idatm_type C3
atom id #4.14/A:96@C idatm_type C2
atom id #4.14/A:96@O idatm_type O2
atom id #4.14/A:96@CB idatm_type C3
atom id #4.14/A:96@CG idatm_type C3
atom id #4.14/A:96@CD idatm_type C3
atom id #4.14/A:96@HA idatm_type HC
atom id #4.14/A:96@HB2 idatm_type HC
atom id #4.14/A:96@HB3 idatm_type HC
atom id #4.14/A:96@HG2 idatm_type HC
atom id #4.14/A:96@HG3 idatm_type HC
atom id #4.14/A:96@HD2 idatm_type HC
atom id #4.14/A:96@HD3 idatm_type HC
atom id #4.15/A:96@N idatm_type Npl
atom id #4.15/A:96@CA idatm_type C3
atom id #4.15/A:96@C idatm_type C2
atom id #4.15/A:96@O idatm_type O2
atom id #4.15/A:96@CB idatm_type C3
atom id #4.15/A:96@CG idatm_type C3
atom id #4.15/A:96@CD idatm_type C3
atom id #4.15/A:96@HA idatm_type HC
atom id #4.15/A:96@HB2 idatm_type HC
atom id #4.15/A:96@HB3 idatm_type HC
atom id #4.15/A:96@HG2 idatm_type HC
atom id #4.15/A:96@HG3 idatm_type HC
atom id #4.15/A:96@HD2 idatm_type HC
atom id #4.15/A:96@HD3 idatm_type HC
atom id #4.16/A:96@N idatm_type Npl
atom id #4.16/A:96@CA idatm_type C3
atom id #4.16/A:96@C idatm_type C2
atom id #4.16/A:96@O idatm_type O2
atom id #4.16/A:96@CB idatm_type C3
atom id #4.16/A:96@CG idatm_type C3
atom id #4.16/A:96@CD idatm_type C3
atom id #4.16/A:96@HA idatm_type HC
atom id #4.16/A:96@HB2 idatm_type HC
atom id #4.16/A:96@HB3 idatm_type HC
atom id #4.16/A:96@HG2 idatm_type HC
atom id #4.16/A:96@HG3 idatm_type HC
atom id #4.16/A:96@HD2 idatm_type HC
atom id #4.16/A:96@HD3 idatm_type HC
atom id #4.17/A:96@N idatm_type Npl
atom id #4.17/A:96@CA idatm_type C3
atom id #4.17/A:96@C idatm_type C2
atom id #4.17/A:96@O idatm_type O2
atom id #4.17/A:96@CB idatm_type C3
atom id #4.17/A:96@CG idatm_type C3
atom id #4.17/A:96@CD idatm_type C3
atom id #4.17/A:96@HA idatm_type HC
atom id #4.17/A:96@HB2 idatm_type HC
atom id #4.17/A:96@HB3 idatm_type HC
atom id #4.17/A:96@HG2 idatm_type HC
atom id #4.17/A:96@HG3 idatm_type HC
atom id #4.17/A:96@HD2 idatm_type HC
atom id #4.17/A:96@HD3 idatm_type HC
atom id #4.18/A:96@N idatm_type Npl
atom id #4.18/A:96@CA idatm_type C3
atom id #4.18/A:96@C idatm_type C2
atom id #4.18/A:96@O idatm_type O2
atom id #4.18/A:96@CB idatm_type C3
atom id #4.18/A:96@CG idatm_type C3
atom id #4.18/A:96@CD idatm_type C3
atom id #4.18/A:96@HA idatm_type HC
atom id #4.18/A:96@HB2 idatm_type HC
atom id #4.18/A:96@HB3 idatm_type HC
atom id #4.18/A:96@HG2 idatm_type HC
atom id #4.18/A:96@HG3 idatm_type HC
atom id #4.18/A:96@HD2 idatm_type HC
atom id #4.18/A:96@HD3 idatm_type HC
atom id #4.19/A:96@N idatm_type Npl
atom id #4.19/A:96@CA idatm_type C3
atom id #4.19/A:96@C idatm_type C2
atom id #4.19/A:96@O idatm_type O2
atom id #4.19/A:96@CB idatm_type C3
atom id #4.19/A:96@CG idatm_type C3
atom id #4.19/A:96@CD idatm_type C3
atom id #4.19/A:96@HA idatm_type HC
atom id #4.19/A:96@HB2 idatm_type HC
atom id #4.19/A:96@HB3 idatm_type HC
atom id #4.19/A:96@HG2 idatm_type HC
atom id #4.19/A:96@HG3 idatm_type HC
atom id #4.19/A:96@HD2 idatm_type HC
atom id #4.19/A:96@HD3 idatm_type HC
atom id #4.20/A:96@N idatm_type Npl
atom id #4.20/A:96@CA idatm_type C3
atom id #4.20/A:96@C idatm_type C2
atom id #4.20/A:96@O idatm_type O2
atom id #4.20/A:96@CB idatm_type C3
atom id #4.20/A:96@CG idatm_type C3
atom id #4.20/A:96@CD idatm_type C3
atom id #4.20/A:96@HA idatm_type HC
atom id #4.20/A:96@HB2 idatm_type HC
atom id #4.20/A:96@HB3 idatm_type HC
atom id #4.20/A:96@HG2 idatm_type HC
atom id #4.20/A:96@HG3 idatm_type HC
atom id #4.20/A:96@HD2 idatm_type HC
atom id #4.20/A:96@HD3 idatm_type HC
> select #4.1/A:96@CA
1 atom, 1 residue, 1 model selected
> getcrd sel
Atom #4.1/A:96@CA -18.334 10.893 34.466
> select #4.1/A:95 #4.2/A:95 #4.3/A:95 #4.4/A:95 #4.5/A:95 #4.6/A:95 #4.7/A:95
> #4.8/A:95 #4.9/A:95 #4.10/A:95 #4.11/A:95 #4.12/A:95 #4.13/A:95 #4.14/A:95
> #4.15/A:95 #4.16/A:95 #4.17/A:95 #4.18/A:95 #4.19/A:95 #4.20/A:95
420 atoms, 420 bonds, 20 residues, 20 models selected
> select #4.1/A:95-97 #4.2/A:95-97 #4.3/A:95-97 #4.4/A:95-97 #4.5/A:95-97
> #4.6/A:95-97 #4.7/A:95-97 #4.8/A:95-97 #4.9/A:95-97 #4.10/A:95-97
> #4.11/A:95-97 #4.12/A:95-97 #4.13/A:95-97 #4.14/A:95-97 #4.15/A:95-97
> #4.16/A:95-97 #4.17/A:95-97 #4.18/A:95-97 #4.19/A:95-97 #4.20/A:95-97
980 atoms, 1000 bonds, 60 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [95-97] RMSD: 40.802
> select #4.1/A:95-97@CA
3 atoms, 3 residues, 1 model selected
> getcrd sel
Atom #4.1/A:95@CA -16.810 7.491 33.455
Atom #4.1/A:96@CA -18.334 10.893 34.466
Atom #4.1/A:97@CA -19.007 13.197 31.524
> select #4.2/A:95-97@CA
3 atoms, 3 residues, 1 model selected
> select #4.2/A:95-97@CA
3 atoms, 3 residues, 1 model selected
> getcrd sel
Atom #4.2/A:95@CA 109.794 28.151 16.339
Atom #4.2/A:96@CA 109.739 25.108 18.656
Atom #4.2/A:97@CA 106.810 22.772 18.048
> select #4/A:95-97@CA
60 atoms, 60 residues, 20 models selected
> getcrd sel
Atom #4.1/A:95@CA -16.810 7.491 33.455
Atom #4.1/A:96@CA -18.334 10.893 34.466
Atom #4.1/A:97@CA -19.007 13.197 31.524
Atom #4.2/A:95@CA 109.794 28.151 16.339
Atom #4.2/A:96@CA 109.739 25.108 18.656
Atom #4.2/A:97@CA 106.810 22.772 18.048
Atom #4.3/A:95@CA 110.699 29.628 12.611
Atom #4.3/A:96@CA 108.529 26.523 13.418
Atom #4.3/A:97@CA 105.582 26.659 15.796
Atom #4.4/A:95@CA 103.648 31.500 5.466
Atom #4.4/A:96@CA 103.619 29.311 8.598
Atom #4.4/A:97@CA 100.616 27.096 9.262
Atom #4.5/A:95@CA 104.363 29.918 8.170
Atom #4.5/A:96@CA 102.971 26.346 8.683
Atom #4.5/A:97@CA 99.260 25.567 8.729
Atom #4.6/A:95@CA 109.573 30.681 12.363
Atom #4.6/A:96@CA 107.739 27.538 13.557
Atom #4.6/A:97@CA 104.059 27.008 12.823
Atom #4.7/A:95@CA 113.653 24.535 18.998
Atom #4.7/A:96@CA 111.080 21.691 19.072
Atom #4.7/A:97@CA 107.402 22.547 18.697
Atom #4.8/A:95@CA 111.939 29.866 14.122
Atom #4.8/A:96@CA 109.404 27.244 15.301
Atom #4.8/A:97@CA 105.727 27.546 14.434
Atom #4.9/A:95@CA 106.596 29.887 11.782
Atom #4.9/A:96@CA 105.046 26.406 12.311
Atom #4.9/A:97@CA 101.334 25.657 12.275
Atom #4.10/A:95@CA 107.295 27.966 15.380
Atom #4.10/A:96@CA 104.470 28.606 17.935
Atom #4.10/A:97@CA 102.390 25.547 18.783
Atom #4.11/A:95@CA 110.434 27.749 16.442
Atom #4.11/A:96@CA 108.241 28.023 19.609
Atom #4.11/A:97@CA 105.856 25.100 20.018
Atom #4.12/A:95@CA 106.554 31.782 10.055
Atom #4.12/A:96@CA 105.297 30.030 13.217
Atom #4.12/A:97@CA 102.697 27.352 12.551
Atom #4.13/A:95@CA 108.269 30.749 12.396
Atom #4.13/A:96@CA 106.559 27.953 14.389
Atom #4.13/A:97@CA 103.228 26.719 13.053
Atom #4.14/A:95@CA 111.710 28.652 15.347
Atom #4.14/A:96@CA 109.537 25.653 16.348
Atom #4.14/A:97@CA 105.976 25.550 15.045
Atom #4.15/A:95@CA 108.124 31.418 11.681
Atom #4.15/A:96@CA 107.320 29.241 14.725
Atom #4.15/A:97@CA 104.420 26.861 14.171
Atom #4.16/A:95@CA 108.360 30.489 11.340
Atom #4.16/A:96@CA 107.851 27.402 13.553
Atom #4.16/A:97@CA 104.363 25.920 13.739
Atom #4.17/A:95@CA 105.062 28.644 10.027
Atom #4.17/A:96@CA 103.653 25.073 9.510
Atom #4.17/A:97@CA 99.946 24.334 9.224
Atom #4.18/A:95@CA 113.847 25.092 19.639
Atom #4.18/A:96@CA 111.540 22.034 19.771
Atom #4.18/A:97@CA 107.781 22.531 19.629
Atom #4.19/A:95@CA 104.795 30.988 6.341
Atom #4.19/A:96@CA 103.611 28.565 9.079
Atom #4.19/A:97@CA 100.711 26.284 8.176
Atom #4.20/A:95@CA 107.984 28.414 14.620
Atom #4.20/A:96@CA 106.225 25.048 14.054
Atom #4.20/A:97@CA 102.491 24.599 13.598
> select #4.1/A:54 #4.2/A:54 #4.3/A:54 #4.4/A:54 #4.5/A:54 #4.6/A:54 #4.7/A:54
> #4.8/A:54 #4.9/A:54 #4.10/A:54 #4.11/A:54 #4.12/A:54 #4.13/A:54 #4.14/A:54
> #4.15/A:54 #4.16/A:54 #4.17/A:54 #4.18/A:54 #4.19/A:54 #4.20/A:54
220 atoms, 200 bonds, 20 residues, 20 models selected
> select #4.1/A:54-56 #4.2/A:54-56 #4.3/A:54-56 #4.4/A:54-56 #4.5/A:54-56
> #4.6/A:54-56 #4.7/A:54-56 #4.8/A:54-56 #4.9/A:54-56 #4.10/A:54-56
> #4.11/A:54-56 #4.12/A:54-56 #4.13/A:54-56 #4.14/A:54-56 #4.15/A:54-56
> #4.16/A:54-56 #4.17/A:54-56 #4.18/A:54-56 #4.19/A:54-56 #4.20/A:54-56
600 atoms, 580 bonds, 60 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [54-56] RMSD: 44.340
> select #4.1/A:54 #4.2/A:54 #4.3/A:54 #4.4/A:54 #4.5/A:54 #4.6/A:54 #4.7/A:54
> #4.8/A:54 #4.9/A:54 #4.10/A:54 #4.11/A:54 #4.12/A:54 #4.13/A:54 #4.14/A:54
> #4.15/A:54 #4.16/A:54 #4.17/A:54 #4.18/A:54 #4.19/A:54 #4.20/A:54
220 atoms, 200 bonds, 20 residues, 20 models selected
> select #4.1/A:53-54 #4.2/A:53-54 #4.3/A:53-54 #4.4/A:53-54 #4.5/A:53-54
> #4.6/A:53-54 #4.7/A:53-54 #4.8/A:53-54 #4.9/A:53-54 #4.10/A:53-54
> #4.11/A:53-54 #4.12/A:53-54 #4.13/A:53-54 #4.14/A:53-54 #4.15/A:53-54
> #4.16/A:53-54 #4.17/A:53-54 #4.18/A:53-54 #4.19/A:53-54 #4.20/A:53-54
440 atoms, 420 bonds, 40 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [53-54] RMSD: 44.192
> select #4.1/A:52 #4.2/A:52 #4.3/A:52 #4.4/A:52 #4.5/A:52 #4.6/A:52 #4.7/A:52
> #4.8/A:52 #4.9/A:52 #4.10/A:52 #4.11/A:52 #4.12/A:52 #4.13/A:52 #4.14/A:52
> #4.15/A:52 #4.16/A:52 #4.17/A:52 #4.18/A:52 #4.19/A:52 #4.20/A:52
200 atoms, 180 bonds, 20 residues, 20 models selected
> select #4.1/A:52-54 #4.2/A:52-54 #4.3/A:52-54 #4.4/A:52-54 #4.5/A:52-54
> #4.6/A:52-54 #4.7/A:52-54 #4.8/A:52-54 #4.9/A:52-54 #4.10/A:52-54
> #4.11/A:52-54 #4.12/A:52-54 #4.13/A:52-54 #4.14/A:52-54 #4.15/A:52-54
> #4.16/A:52-54 #4.17/A:52-54 #4.18/A:52-54 #4.19/A:52-54 #4.20/A:52-54
640 atoms, 620 bonds, 60 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [52-54] RMSD: 43.994
> select #4.1/A:53-54 #4.2/A:53-54 #4.3/A:53-54 #4.4/A:53-54 #4.5/A:53-54
> #4.6/A:53-54 #4.7/A:53-54 #4.8/A:53-54 #4.9/A:53-54 #4.10/A:53-54
> #4.11/A:53-54 #4.12/A:53-54 #4.13/A:53-54 #4.14/A:53-54 #4.15/A:53-54
> #4.16/A:53-54 #4.17/A:53-54 #4.18/A:53-54 #4.19/A:53-54 #4.20/A:53-54
440 atoms, 420 bonds, 40 residues, 20 models selected
> select #4.1/A:53-55 #4.2/A:53-55 #4.3/A:53-55 #4.4/A:53-55 #4.5/A:53-55
> #4.6/A:53-55 #4.7/A:53-55 #4.8/A:53-55 #4.9/A:53-55 #4.10/A:53-55
> #4.11/A:53-55 #4.12/A:53-55 #4.13/A:53-55 #4.14/A:53-55 #4.15/A:53-55
> #4.16/A:53-55 #4.17/A:53-55 #4.18/A:53-55 #4.19/A:53-55 #4.20/A:53-55
580 atoms, 560 bonds, 60 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [53-55] RMSD: 44.459
> getcrd sel
Atom #4.1/A:53@N -3.377 -15.004 31.500
Atom #4.1/A:53@CA -2.718 -14.903 32.797
Atom #4.1/A:53@C -3.629 -14.186 33.795
Atom #4.1/A:53@O -4.200 -14.816 34.685
Atom #4.1/A:53@CB -1.382 -14.162 32.660
Atom #4.1/A:53@OG -0.348 -15.107 32.419
Atom #4.1/A:53@H -4.276 -14.627 31.390
Atom #4.1/A:53@HA -2.523 -15.901 33.164
Atom #4.1/A:53@HB2 -1.432 -13.475 31.832
Atom #4.1/A:53@HB3 -1.181 -13.609 33.568
Atom #4.1/A:53@HG -0.123 -15.069 31.487
Atom #4.1/A:54@N -3.763 -12.871 33.642
Atom #4.1/A:54@CA -4.644 -12.095 34.509
Atom #4.1/A:54@C -6.101 -12.529 34.344
Atom #4.1/A:54@O -6.857 -12.570 35.316
Atom #4.1/A:54@CB -4.518 -10.607 34.181
Atom #4.1/A:54@OG -3.152 -10.224 34.272
Atom #4.1/A:54@H -3.261 -12.414 32.935
Atom #4.1/A:54@HA -4.349 -12.250 35.537
Atom #4.1/A:54@HB2 -4.868 -10.423 33.178
Atom #4.1/A:54@HB3 -5.116 -10.035 34.877
Atom #4.1/A:54@HG -2.938 -9.704 33.494
Atom #4.1/A:55@N -6.487 -12.853 33.114
Atom #4.1/A:55@CA -7.864 -13.255 32.828
Atom #4.1/A:55@C -8.723 -12.112 32.264
Atom #4.1/A:55@O -9.862 -12.347 31.858
Atom #4.1/A:55@H -5.835 -12.821 32.382
Atom #4.1/A:55@HA2 -7.848 -14.062 32.112
Atom #4.1/A:55@HA3 -8.317 -13.611 33.741
Atom #4.2/A:53@N 124.160 28.109 -6.855
Atom #4.2/A:53@CA 125.246 29.083 -6.794
Atom #4.2/A:53@C 125.207 29.843 -5.470
Atom #4.2/A:53@O 126.245 30.103 -4.861
Atom #4.2/A:53@CB 125.130 30.070 -7.955
Atom #4.2/A:53@OG 125.070 29.347 -9.177
Atom #4.2/A:53@H 123.509 28.155 -7.586
Atom #4.2/A:53@HA 126.188 28.562 -6.872
Atom #4.2/A:53@HB2 124.230 30.655 -7.848
Atom #4.2/A:53@HB3 125.986 30.730 -7.950
Atom #4.2/A:53@HG 124.423 28.645 -9.076
Atom #4.2/A:54@N 124.002 30.196 -5.031
Atom #4.2/A:54@CA 123.827 30.858 -3.740
Atom #4.2/A:54@C 124.188 29.931 -2.575
Atom #4.2/A:54@O 124.644 30.393 -1.529
Atom #4.2/A:54@CB 122.378 31.319 -3.589
Atom #4.2/A:54@OG 121.535 30.180 -3.475
Atom #4.2/A:54@H 123.215 30.009 -5.584
Atom #4.2/A:54@HA 124.469 31.726 -3.704
Atom #4.2/A:54@HB2 122.277 31.920 -2.699
Atom #4.2/A:54@HB3 122.098 31.910 -4.451
Atom #4.2/A:54@HG 121.622 29.665 -4.281
Atom #4.2/A:55@N 123.983 28.627 -2.755
Atom #4.2/A:55@CA 124.258 27.661 -1.692
Atom #4.2/A:55@C 123.004 27.245 -0.908
Atom #4.2/A:55@O 123.101 26.442 0.020
Atom #4.2/A:55@H 123.640 28.309 -3.616
Atom #4.2/A:55@HA2 124.697 26.778 -2.133
Atom #4.2/A:55@HA3 124.969 28.096 -1.005
Atom #4.3/A:53@N 123.845 24.514 -10.895
Atom #4.3/A:53@CA 123.421 25.767 -11.520
Atom #4.3/A:53@C 121.901 25.911 -11.516
Atom #4.3/A:53@O 121.209 25.377 -12.383
Atom #4.3/A:53@CB 123.945 25.838 -12.956
Atom #4.3/A:53@OG 123.239 24.908 -13.765
Atom #4.3/A:53@H 124.530 24.542 -10.194
Atom #4.3/A:53@HA 123.845 26.588 -10.962
Atom #4.3/A:53@HB2 123.795 26.830 -13.349
Atom #4.3/A:53@HB3 125.003 25.612 -12.960
Atom #4.3/A:53@HG 122.314 25.165 -13.775
Atom #4.3/A:54@N 121.388 26.649 -10.537
Atom #4.3/A:54@CA 119.951 26.877 -10.434
Atom #4.3/A:54@C 119.645 27.862 -9.310
Atom #4.3/A:54@O 118.964 28.866 -9.518
Atom #4.3/A:54@CB 119.231 25.554 -10.166
Atom #4.3/A:54@OG 117.855 25.813 -9.923
Atom #4.3/A:54@H 121.987 27.048 -9.871
Atom #4.3/A:54@HA 119.593 27.286 -11.367
Atom #4.3/A:54@HB2 119.321 24.909 -11.024
Atom #4.3/A:54@HB3 119.680 25.071 -9.308
Atom #4.3/A:54@HG 117.350 25.437 -10.648
Atom #4.3/A:55@N 120.155 27.565 -8.119
Atom #4.3/A:55@CA 119.934 28.430 -6.960
Atom #4.3/A:55@C 118.765 27.974 -6.075
Atom #4.3/A:55@O 118.555 28.536 -5.000
Atom #4.3/A:55@H 120.689 26.750 -8.015
Atom #4.3/A:55@HA2 120.834 28.445 -6.363
Atom #4.3/A:55@HA3 119.734 29.432 -7.310
Atom #4.4/A:53@N 123.889 28.568 -6.558
Atom #4.4/A:53@CA 124.898 29.595 -6.307
Atom #4.4/A:53@C 124.513 30.477 -5.118
Atom #4.4/A:53@O 125.380 30.945 -4.381
Atom #4.4/A:53@CB 125.072 30.466 -7.552
Atom #4.4/A:53@OG 123.890 31.228 -7.757
Atom #4.4/A:53@H 123.450 28.527 -7.433
Atom #4.4/A:53@HA 125.839 29.111 -6.090
Atom #4.4/A:53@HB2 125.904 31.137 -7.413
Atom #4.4/A:53@HB3 125.266 29.833 -8.407
Atom #4.4/A:53@HG 124.085 32.142 -7.536
Atom #4.4/A:54@N 123.214 30.703 -4.933
Atom #4.4/A:54@CA 122.736 31.506 -3.811
Atom #4.4/A:54@C 123.203 30.930 -2.473
Atom #4.4/A:54@O 123.470 31.675 -1.530
Atom #4.4/A:54@CB 121.209 31.569 -3.831
Atom #4.4/A:54@OG 120.766 32.486 -2.840
Atom #4.4/A:54@H 122.566 30.324 -5.562
Atom #4.4/A:54@HA 123.124 32.509 -3.911
Atom #4.4/A:54@HB2 120.871 31.905 -4.798
Atom #4.4/A:54@HB3 120.808 30.583 -3.637
Atom #4.4/A:54@HG 120.994 32.126 -1.979
Atom #4.4/A:55@N 123.303 29.605 -2.392
Atom #4.4/A:55@CA 123.723 28.949 -1.154
Atom #4.4/A:55@C 122.556 28.357 -0.350
Atom #4.4/A:55@O 122.767 27.854 0.753
Atom #4.4/A:55@H 123.090 29.058 -3.177
Atom #4.4/A:55@HA2 124.410 28.153 -1.401
Atom #4.4/A:55@HA3 124.239 29.670 -0.538
Atom #4.5/A:53@N 126.519 24.396 -6.072
Atom #4.5/A:53@CA 127.097 25.608 -6.640
Atom #4.5/A:53@C 127.078 26.732 -5.610
Atom #4.5/A:53@O 128.126 27.176 -5.140
Atom #4.5/A:53@CB 126.312 26.037 -7.881
Atom #4.5/A:53@OG 125.987 24.887 -8.651
Atom #4.5/A:53@H 125.974 24.459 -5.261
Atom #4.5/A:53@HA 128.120 25.409 -6.925
Atom #4.5/A:53@HB2 125.402 26.530 -7.586
Atom #4.5/A:53@HB3 126.913 26.721 -8.465
Atom #4.5/A:53@HG 125.127 25.033 -9.054
Atom #4.5/A:54@N 125.878 27.187 -5.264
Atom #4.5/A:54@CA 125.726 28.239 -4.263
Atom #4.5/A:54@C 126.294 27.808 -2.910
Atom #4.5/A:54@O 126.841 28.628 -2.172
Atom #4.5/A:54@CB 124.247 28.590 -4.102
Atom #4.5/A:54@OG 123.712 28.949 -5.370
Atom #4.5/A:54@H 125.080 26.807 -5.686
Atom #4.5/A:54@HA 126.255 29.118 -4.599
Atom #4.5/A:54@HB2 123.708 27.738 -3.722
Atom #4.5/A:54@HB3 124.148 29.413 -3.406
Atom #4.5/A:54@HG 124.031 28.315 -6.016
Atom #4.5/A:55@N 126.164 26.523 -2.589
Atom #4.5/A:55@CA 126.628 26.010 -1.299
Atom #4.5/A:55@C 125.490 25.790 -0.291
Atom #4.5/A:55@O 125.724 25.239 0.786
Atom #4.5/A:55@H 125.748 25.908 -3.228
Atom #4.5/A:55@HA2 127.132 25.069 -1.463
Atom #4.5/A:55@HA3 127.332 26.712 -0.879
Atom #4.6/A:53@N 117.359 28.993 -8.076
Atom #4.6/A:53@CA 118.136 30.162 -8.479
Atom #4.6/A:53@C 118.715 30.877 -7.261
Atom #4.6/A:53@O 119.848 31.358 -7.296
Atom #4.6/A:53@CB 117.249 31.128 -9.266
Atom #4.6/A:53@OG 118.055 32.171 -9.798
Atom #4.6/A:53@H 116.416 28.929 -8.333
Atom #4.6/A:53@HA 118.946 29.840 -9.115
Atom #4.6/A:53@HB2 116.770 30.605 -10.077
Atom #4.6/A:53@HB3 116.493 31.536 -8.609
Atom #4.6/A:53@HG 117.684 33.009 -9.512
Atom #4.6/A:54@N 117.935 30.945 -6.187
Atom #4.6/A:54@CA 118.393 31.589 -4.960
Atom #4.6/A:54@C 119.671 30.935 -4.436
Atom #4.6/A:54@O 120.548 31.613 -3.900
Atom #4.6/A:54@CB 117.304 31.503 -3.890
Atom #4.6/A:54@OG 116.100 32.055 -4.405
Atom #4.6/A:54@H 117.036 30.556 -6.219
Atom #4.6/A:54@HA 118.593 32.630 -5.165
Atom #4.6/A:54@HB2 117.134 30.473 -3.625
Atom #4.6/A:54@HB3 117.622 32.049 -3.011
Atom #4.6/A:54@HG 115.364 31.622 -3.966
Atom #4.6/A:55@N 119.775 29.618 -4.593
Atom #4.6/A:55@CA 120.950 28.888 -4.122
Atom #4.6/A:55@C 120.811 28.414 -2.672
Atom #4.6/A:55@O 121.815 28.129 -2.018
Atom #4.6/A:55@H 119.049 29.129 -5.034
Atom #4.6/A:55@HA2 121.102 28.027 -4.756
Atom #4.6/A:55@HA3 121.814 29.532 -4.197
Atom #4.7/A:53@N 126.048 27.507 -4.972
Atom #4.7/A:53@CA 126.715 28.635 -4.330
Atom #4.7/A:53@C 125.702 29.532 -3.620
Atom #4.7/A:53@O 125.967 30.043 -2.533
Atom #4.7/A:53@CB 127.480 29.451 -5.371
Atom #4.7/A:53@OG 128.371 28.595 -6.074
Atom #4.7/A:53@H 126.140 27.380 -5.940
Atom #4.7/A:53@HA 127.417 28.257 -3.600
Atom #4.7/A:53@HB2 126.788 29.890 -6.071
Atom #4.7/A:53@HB3 128.029 30.241 -4.875
Atom #4.7/A:53@HG 129.268 28.836 -5.829
Atom #4.7/A:54@N 124.541 29.721 -4.243
Atom #4.7/A:54@CA 123.491 30.545 -3.656
Atom #4.7/A:54@C 122.115 30.008 -4.040
Atom #4.7/A:54@O 121.948 29.418 -5.107
Atom #4.7/A:54@CB 123.630 31.990 -4.137
Atom #4.7/A:54@OG 122.681 32.801 -3.459
Atom #4.7/A:54@H 124.388 29.297 -5.113
Atom #4.7/A:54@HA 123.587 30.524 -2.580
Atom #4.7/A:54@HB2 124.622 32.352 -3.922
Atom #4.7/A:54@HB3 123.462 32.027 -5.205
Atom #4.7/A:54@HG 122.899 32.791 -2.524
Atom #4.7/A:55@N 121.134 30.215 -3.167
Atom #4.7/A:55@CA 119.776 29.749 -3.441
Atom #4.7/A:55@C 119.557 28.287 -3.036
Atom #4.7/A:55@O 118.636 27.640 -3.535
Atom #4.7/A:55@H 121.324 30.686 -2.329
Atom #4.7/A:55@HA2 119.080 30.369 -2.895
Atom #4.7/A:55@HA3 119.578 29.851 -4.497
Atom #4.8/A:53@N 122.482 28.122 -7.538
Atom #4.8/A:53@CA 123.563 29.068 -7.801
Atom #4.8/A:53@C 124.035 29.731 -6.507
Atom #4.8/A:53@O 125.228 29.978 -6.328
Atom #4.8/A:53@CB 123.090 30.140 -8.781
Atom #4.8/A:53@OG 122.110 30.952 -8.148
Atom #4.8/A:53@H 121.599 28.276 -7.933
Atom #4.8/A:53@HA 124.392 28.535 -8.243
Atom #4.8/A:53@HB2 123.923 30.758 -9.076
Atom #4.8/A:53@HB3 122.673 29.663 -9.659
Atom #4.8/A:53@HG 122.415 31.862 -8.177
Atom #4.8/A:54@N 123.097 30.017 -5.609
Atom #4.8/A:54@CA 123.434 30.618 -4.322
Atom #4.8/A:54@C 124.351 29.705 -3.507
Atom #4.8/A:54@O 125.236 30.180 -2.796
Atom #4.8/A:54@CB 122.158 30.897 -3.528
Atom #4.8/A:54@OG 121.284 31.694 -4.315
Atom #4.8/A:54@H 122.159 29.820 -5.815
Atom #4.8/A:54@HA 123.943 31.553 -4.498
Atom #4.8/A:54@HB2 121.667 29.967 -3.290
Atom #4.8/A:54@HB3 122.412 31.410 -2.611
Atom #4.8/A:54@HG 121.221 32.559 -3.905
Atom #4.8/A:55@N 124.134 28.396 -3.612
Atom #4.8/A:55@CA 124.930 27.431 -2.855
Atom #4.8/A:55@C 124.209 26.892 -1.611
Atom #4.8/A:55@O 124.715 25.979 -0.957
Atom #4.8/A:55@H 123.427 28.073 -4.209
Atom #4.8/A:55@HA2 125.172 26.599 -3.501
Atom #4.8/A:55@HA3 125.850 27.906 -2.545
Atom #4.9/A:53@N 117.089 25.641 -10.837
Atom #4.9/A:53@CA 115.989 26.194 -11.620
Atom #4.9/A:53@C 115.234 27.243 -10.810
Atom #4.9/A:53@O 115.272 28.432 -11.129
Atom #4.9/A:53@CB 115.029 25.080 -12.042
Atom #4.9/A:53@OG 114.283 25.512 -13.172
Atom #4.9/A:53@H 117.196 25.914 -9.902
Atom #4.9/A:53@HA 116.393 26.660 -12.507
Atom #4.9/A:53@HB2 115.587 24.197 -12.305
Atom #4.9/A:53@HB3 114.366 24.848 -11.220
Atom #4.9/A:53@HG 113.857 24.742 -13.557
Atom #4.9/A:54@N 114.549 26.797 -9.762
Atom #4.9/A:54@CA 113.797 27.709 -8.905
Atom #4.9/A:54@C 114.721 28.693 -8.184
Atom #4.9/A:54@O 114.343 29.838 -7.936
Atom #4.9/A:54@CB 113.001 26.911 -7.874
Atom #4.9/A:54@OG 113.903 26.275 -6.978
Atom #4.9/A:54@H 114.552 25.839 -9.557
Atom #4.9/A:54@HA 113.105 28.269 -9.516
Atom #4.9/A:54@HB2 112.360 27.574 -7.315
Atom #4.9/A:54@HB3 112.395 26.174 -8.382
Atom #4.9/A:54@HG 113.795 25.325 -7.073
Atom #4.9/A:55@N 115.929 28.247 -7.848
Atom #4.9/A:55@CA 116.887 29.103 -7.150
Atom #4.9/A:55@C 116.918 28.868 -5.632
Atom #4.9/A:55@O 117.770 29.429 -4.944
Atom #4.9/A:55@H 116.182 27.327 -8.073
Atom #4.9/A:55@HA2 117.873 28.916 -7.549
Atom #4.9/A:55@HA3 116.628 30.135 -7.336
Atom #4.10/A:53@N 123.386 28.339 -7.307
Atom #4.10/A:53@CA 124.465 29.321 -7.255
Atom #4.10/A:53@C 124.464 30.062 -5.920
Atom #4.10/A:53@O 125.524 30.373 -5.375
Atom #4.10/A:53@CB 124.308 30.325 -8.397
Atom #4.10/A:53@OG 123.149 31.115 -8.168
Atom #4.10/A:53@H 122.700 28.409 -8.003
Atom #4.10/A:53@HA 125.409 28.808 -7.371
Atom #4.10/A:53@HB2 125.171 30.969 -8.436
Atom #4.10/A:53@HB3 124.221 29.791 -9.334
Atom #4.10/A:53@HG 123.431 32.023 -8.034
Atom #4.10/A:54@N 123.274 30.345 -5.395
Atom #4.10/A:54@CA 123.156 31.015 -4.103
Atom #4.10/A:54@C 123.683 30.137 -2.966
Atom #4.10/A:54@O 124.226 30.645 -1.985
Atom #4.10/A:54@CB 121.692 31.367 -3.835
Atom #4.10/A:54@OG 120.951 30.169 -3.644
Atom #4.10/A:54@H 122.463 30.100 -5.887
Atom #4.10/A:54@HA 123.730 31.928 -4.131
Atom #4.10/A:54@HB2 121.620 31.971 -2.946
Atom #4.10/A:54@HB3 121.299 31.923 -4.676
Atom #4.10/A:54@HG 120.734 30.099 -2.712
Atom #4.10/A:55@N 123.523 28.822 -3.097
Atom #4.10/A:55@CA 123.977 27.895 -2.060
Atom #4.10/A:55@C 122.869 27.487 -1.079
Atom #4.10/A:55@O 123.125 26.716 -0.153
Atom #4.10/A:55@H 123.093 28.468 -3.904
Atom #4.10/A:55@HA2 124.361 27.005 -2.537
Atom #4.10/A:55@HA3 124.778 28.363 -1.505
Atom #4.11/A:53@N 121.022 28.907 -6.595
Atom #4.11/A:53@CA 122.068 29.873 -6.913
Atom #4.11/A:53@C 122.692 30.444 -5.640
Atom #4.11/A:53@O 123.900 30.674 -5.583
Atom #4.11/A:53@CB 121.487 31.014 -7.750
Atom #4.11/A:53@OG 120.852 30.471 -8.900
Atom #4.11/A:53@H 120.109 29.063 -6.917
Atom #4.11/A:53@HA 122.838 29.378 -7.487
Atom #4.11/A:53@HB2 120.760 31.557 -7.171
Atom #4.11/A:53@HB3 122.283 31.684 -8.042
Atom #4.11/A:53@HG 121.323 30.787 -9.675
Atom #4.11/A:54@N 121.866 30.669 -4.623
Atom #4.11/A:54@CA 122.351 31.204 -3.355
Atom #4.11/A:54@C 123.436 30.311 -2.752
Atom #4.11/A:54@O 124.375 30.803 -2.127
Atom #4.11/A:54@CB 121.192 31.332 -2.367
Atom #4.11/A:54@OG 120.164 32.119 -2.954
Atom #4.11/A:54@H 120.911 30.471 -4.726
Atom #4.11/A:54@HA 122.768 32.186 -3.528
Atom #4.11/A:54@HB2 120.799 30.355 -2.137
Atom #4.11/A:54@HB3 121.548 31.797 -1.457
Atom #4.11/A:54@HG 120.332 33.038 -2.734
Atom #4.11/A:55@N 123.305 29.001 -2.941
Atom #4.11/A:55@CA 124.277 28.054 -2.393
Atom #4.11/A:55@C 123.791 27.354 -1.116
Atom #4.11/A:55@O 124.471 26.459 -0.613
Atom #4.11/A:55@H 122.543 28.663 -3.456
Atom #4.11/A:55@HA2 124.486 27.303 -3.140
Atom #4.11/A:55@HA3 125.192 28.584 -2.171
Atom #4.12/A:53@N 121.966 27.696 -5.640
Atom #4.12/A:53@CA 122.058 28.943 -6.390
Atom #4.12/A:53@C 121.526 30.101 -5.553
Atom #4.12/A:53@O 122.237 31.072 -5.292
Atom #4.12/A:53@CB 121.253 28.834 -7.686
Atom #4.12/A:53@OG 121.129 30.125 -8.268
Atom #4.12/A:53@H 121.463 27.677 -4.799
Atom #4.12/A:53@HA 123.092 29.132 -6.635
Atom #4.12/A:53@HB2 121.764 28.184 -8.378
Atom #4.12/A:53@HB3 120.277 28.425 -7.467
Atom #4.12/A:53@HG 120.289 30.496 -7.990
Atom #4.12/A:54@N 120.269 29.990 -5.136
Atom #4.12/A:54@CA 119.654 31.013 -4.293
Atom #4.12/A:54@C 120.362 31.146 -2.942
Atom #4.12/A:54@O 120.343 32.216 -2.333
Atom #4.12/A:54@CB 118.181 30.672 -4.059
Atom #4.12/A:54@OG 118.095 29.504 -3.255
Atom #4.12/A:54@H 119.744 29.205 -5.398
Atom #4.12/A:54@HA 119.707 31.962 -4.806
Atom #4.12/A:54@HB2 117.695 31.487 -3.549
Atom #4.12/A:54@HB3 117.697 30.509 -5.013
Atom #4.12/A:54@HG 117.212 29.140 -3.354
Atom #4.12/A:55@N 120.985 30.066 -2.471
Atom #4.12/A:55@CA 121.656 30.078 -1.171
Atom #4.12/A:55@C 120.855 29.372 -0.068
Atom #4.12/A:55@O 121.361 29.195 1.039
Atom #4.12/A:55@H 120.992 29.247 -3.008
Atom #4.12/A:55@HA2 122.612 29.586 -1.273
Atom #4.12/A:55@HA3 121.824 31.103 -0.876
Atom #4.13/A:53@N 123.856 24.949 -4.680
Atom #4.13/A:53@CA 123.899 26.405 -4.757
Atom #4.13/A:53@C 124.485 26.987 -3.475
Atom #4.13/A:53@O 124.213 26.495 -2.379
Atom #4.13/A:53@CB 122.489 26.959 -4.972
Atom #4.13/A:53@OG 122.565 28.364 -5.169
Atom #4.13/A:53@H 123.572 24.521 -3.845
Atom #4.13/A:53@HA 124.519 26.698 -5.591
Atom #4.13/A:53@HB2 122.048 26.504 -5.844
Atom #4.13/A:53@HB3 121.880 26.732 -4.107
Atom #4.13/A:53@HG 122.273 28.554 -6.064
Atom #4.13/A:54@N 125.292 28.034 -3.617
Atom #4.13/A:54@CA 125.912 28.665 -2.458
Atom #4.13/A:54@C 124.863 29.361 -1.598
Atom #4.13/A:54@O 123.882 29.901 -2.109
Atom #4.13/A:54@CB 126.954 29.686 -2.916
Atom #4.13/A:54@OG 127.936 29.030 -3.705
Atom #4.13/A:54@H 125.473 28.385 -4.513
Atom #4.13/A:54@HA 126.403 27.907 -1.867
Atom #4.13/A:54@HB2 126.479 30.451 -3.508
Atom #4.13/A:54@HB3 127.412 30.143 -2.048
Atom #4.13/A:54@HG 128.375 29.693 -4.244
Atom #4.13/A:55@N 125.079 29.343 -0.286
Atom #4.13/A:55@CA 124.166 30.009 0.643
Atom #4.13/A:55@C 122.844 29.256 0.845
Atom #4.13/A:55@O 122.045 29.641 1.698
Atom #4.13/A:55@H 125.863 28.873 0.065
Atom #4.13/A:55@HA2 124.658 30.105 1.600
Atom #4.13/A:55@HA3 123.949 30.996 0.264
Atom #4.14/A:53@N 124.649 26.942 -4.554
Atom #4.14/A:53@CA 124.684 28.038 -5.516
Atom #4.14/A:53@C 123.828 29.200 -5.024
Atom #4.14/A:53@O 124.344 30.270 -4.698
Atom #4.14/A:53@CB 124.168 27.559 -6.873
Atom #4.14/A:53@OG 122.921 26.901 -6.694
Atom #4.14/A:53@H 124.047 26.999 -3.783
Atom #4.14/A:53@HA 125.704 28.374 -5.628
Atom #4.14/A:53@HB2 124.029 28.404 -7.529
Atom #4.14/A:53@HB3 124.890 26.884 -7.312
Atom #4.14/A:53@HG 123.048 25.968 -6.885
Atom #4.14/A:54@N 122.520 28.981 -4.970
Atom #4.14/A:54@CA 121.600 29.996 -4.464
Atom #4.14/A:54@C 121.940 30.394 -3.025
Atom #4.14/A:54@O 121.748 31.544 -2.633
Atom #4.14/A:54@CB 120.165 29.470 -4.519
Atom #4.14/A:54@OG 119.870 29.055 -5.846
Atom #4.14/A:54@H 122.163 28.120 -5.277
Atom #4.14/A:54@HA 121.670 30.873 -5.092
Atom #4.14/A:54@HB2 120.061 28.627 -3.855
Atom #4.14/A:54@HB3 119.485 30.252 -4.210
Atom #4.14/A:54@HG 119.021 28.608 -5.835
Atom #4.14/A:55@N 122.443 29.440 -2.244
Atom #4.14/A:55@CA 122.765 29.691 -0.840
Atom #4.14/A:55@C 121.723 29.116 0.132
Atom #4.14/A:55@O 121.936 29.141 1.344
Atom #4.14/A:55@H 122.602 28.549 -2.619
Atom #4.14/A:55@HA2 123.724 29.247 -0.619
Atom #4.14/A:55@HA3 122.832 30.758 -0.685
Atom #4.15/A:53@N 122.088 27.873 -8.952
Atom #4.15/A:53@CA 123.099 28.916 -9.099
Atom #4.15/A:53@C 123.183 29.780 -7.841
Atom #4.15/A:53@O 124.267 30.212 -7.449
Atom #4.15/A:53@CB 122.764 29.798 -10.301
Atom #4.15/A:53@OG 121.582 30.537 -10.024
Atom #4.15/A:53@H 121.328 27.846 -9.568
Atom #4.15/A:53@HA 124.059 28.451 -9.267
Atom #4.15/A:53@HB2 123.574 30.485 -10.486
Atom #4.15/A:53@HB3 122.622 29.174 -11.174
Atom #4.15/A:53@HG 121.375 31.066 -10.797
Atom #4.15/A:54@N 122.038 30.029 -7.211
Atom #4.15/A:54@CA 122.005 30.810 -5.978
Atom #4.15/A:54@C 122.827 30.140 -4.877
Atom #4.15/A:54@O 123.474 30.816 -4.077
Atom #4.15/A:54@CB 120.560 30.974 -5.505
Atom #4.15/A:54@OG 119.786 31.535 -6.557
Atom #4.15/A:54@H 121.200 29.681 -7.581
Atom #4.15/A:54@HA 122.418 31.788 -6.173
Atom #4.15/A:54@HB2 120.151 30.012 -5.242
Atom #4.15/A:54@HB3 120.540 31.619 -4.637
Atom #4.15/A:54@HG 119.314 30.820 -6.991
Atom #4.15/A:55@N 122.800 28.810 -4.839
Atom #4.15/A:55@CA 123.531 28.065 -3.815
Atom #4.15/A:55@C 122.661 27.674 -2.611
Atom #4.15/A:55@O 123.183 27.169 -1.617
Atom #4.15/A:55@H 122.280 28.321 -5.510
Atom #4.15/A:55@HA2 123.928 27.164 -4.259
Atom #4.15/A:55@HA3 124.353 28.672 -3.466
Atom #4.16/A:53@N 120.770 23.661 -11.882
Atom #4.16/A:53@CA 119.637 24.577 -11.822
Atom #4.16/A:53@C 120.113 26.010 -11.602
Atom #4.16/A:53@O 121.313 26.283 -11.596
Atom #4.16/A:53@CB 118.698 24.166 -10.687
Atom #4.16/A:53@OG 119.321 24.447 -9.441
Atom #4.16/A:53@H 121.612 23.909 -11.447
Atom #4.16/A:53@HA 119.097 24.527 -12.756
Atom #4.16/A:53@HB2 117.779 24.725 -10.754
Atom #4.16/A:53@HB3 118.479 23.110 -10.770
Atom #4.16/A:53@HG 118.695 24.242 -8.743
Atom #4.16/A:54@N 119.161 26.922 -11.423
Atom #4.16/A:54@CA 119.486 28.330 -11.200
Atom #4.16/A:54@C 119.870 28.628 -9.744
Atom #4.16/A:54@O 119.845 29.786 -9.328
Atom #4.16/A:54@CB 118.291 29.199 -11.592
Atom #4.16/A:54@OG 117.301 29.117 -10.576
Atom #4.16/A:54@H 118.221 26.643 -11.440
Atom #4.16/A:54@HA 120.319 28.594 -11.834
Atom #4.16/A:54@HB2 118.606 30.225 -11.695
Atom #4.16/A:54@HB3 117.892 28.853 -12.536
Atom #4.16/A:54@HG 116.515 28.721 -10.959
Atom #4.16/A:55@N 120.221 27.602 -8.968
Atom #4.16/A:55@CA 120.610 27.803 -7.572
Atom #4.16/A:55@C 119.512 27.419 -6.571
Atom #4.16/A:55@O 119.751 27.445 -5.363
Atom #4.16/A:55@H 120.214 26.695 -9.335
Atom #4.16/A:55@HA2 121.486 27.204 -7.368
Atom #4.16/A:55@HA3 120.863 28.844 -7.427
Atom #4.17/A:53@N 125.488 25.126 -6.745
Atom #4.17/A:53@CA 125.820 26.337 -7.487
Atom #4.17/A:53@C 125.574 27.571 -6.626
Atom #4.17/A:53@O 126.509 28.279 -6.255
Atom #4.17/A:53@CB 124.974 26.419 -8.759
Atom #4.17/A:53@OG 125.601 25.662 -9.786
Atom #4.17/A:53@H 125.017 25.201 -5.889
Atom #4.17/A:53@HA 126.864 26.303 -7.764
Atom #4.17/A:53@HB2 123.994 26.013 -8.571
Atom #4.17/A:53@HB3 124.879 27.454 -9.059
Atom #4.17/A:53@HG 126.534 25.887 -9.793
Atom #4.17/A:54@N 124.306 27.821 -6.313
Atom #4.17/A:54@CA 123.945 28.959 -5.470
Atom #4.17/A:54@C 124.536 28.835 -4.064
Atom #4.17/A:54@O 124.816 29.844 -3.415
Atom #4.17/A:54@CB 122.423 29.068 -5.374
Atom #4.17/A:54@OG 121.920 27.956 -4.645
Atom #4.17/A:54@H 123.601 27.233 -6.655
Atom #4.17/A:54@HA 124.324 29.861 -5.926
Atom #4.17/A:54@HB2 122.155 29.975 -4.859
Atom #4.17/A:54@HB3 122.002 29.086 -6.369
Atom #4.17/A:54@HG 121.816 28.224 -3.729
Atom #4.17/A:55@N 124.726 27.604 -3.590
Atom #4.17/A:55@CA 125.273 27.381 -2.251
Atom #4.17/A:55@C 124.205 27.018 -1.209
Atom #4.17/A:55@O 124.542 26.758 -0.054
Atom #4.17/A:55@H 124.496 26.833 -4.150
Atom #4.17/A:55@HA2 125.991 26.576 -2.302
Atom #4.17/A:55@HA3 125.779 28.278 -1.930
Atom #4.18/A:53@N 117.476 29.475 -6.589
Atom #4.18/A:53@CA 118.191 30.742 -6.702
Atom #4.18/A:53@C 118.388 31.389 -5.331
Atom #4.18/A:53@O 119.423 32.003 -5.071
Atom #4.18/A:53@CB 117.414 31.699 -7.608
Atom #4.18/A:53@OG 118.200 32.858 -7.845
Atom #4.18/A:53@H 116.617 29.364 -7.049
Atom #4.18/A:53@HA 119.159 30.558 -7.142
Atom #4.18/A:53@HB2 117.204 31.217 -8.549
Atom #4.18/A:53@HB3 116.482 31.967 -7.129
Atom #4.18/A:53@HG 118.214 33.377 -7.037
Atom #4.18/A:54@N 117.393 31.251 -4.459
Atom #4.18/A:54@CA 117.464 31.844 -3.127
Atom #4.18/A:54@C 118.713 31.381 -2.378
Atom #4.18/A:54@O 119.306 32.147 -1.619
Atom #4.18/A:54@CB 116.220 31.462 -2.325
Atom #4.18/A:54@OG 116.222 32.172 -1.093
Atom #4.18/A:54@H 116.597 30.740 -4.717
Atom #4.18/A:54@HA 117.495 32.918 -3.225
Atom #4.18/A:54@HB2 115.334 31.724 -2.880
Atom #4.18/A:54@HB3 116.224 30.395 -2.144
Atom #4.18/A:54@HG 115.605 31.738 -0.500
Atom #4.18/A:55@N 119.110 30.130 -2.591
Atom #4.18/A:55@CA 120.284 29.584 -1.914
Atom #4.18/A:55@C 119.948 28.962 -0.553
Atom #4.18/A:55@O 120.830 28.816 0.293
Atom #4.18/A:55@H 118.606 29.563 -3.212
Atom #4.18/A:55@HA2 120.729 28.827 -2.543
Atom #4.18/A:55@HA3 121.001 30.378 -1.765
Atom #4.19/A:53@N 118.659 28.910 -7.794
Atom #4.19/A:53@CA 119.558 29.984 -8.204
Atom #4.19/A:53@C 120.391 30.482 -7.023
Atom #4.19/A:53@O 121.567 30.811 -7.182
Atom #4.19/A:53@CB 118.749 31.146 -8.782
Atom #4.19/A:53@OG 117.929 30.664 -9.837
Atom #4.19/A:53@H 117.694 29.009 -7.935
Atom #4.19/A:53@HA 120.223 29.611 -8.968
Atom #4.19/A:53@HB2 118.123 31.572 -8.015
Atom #4.19/A:53@HB3 119.427 31.905 -9.149
Atom #4.19/A:53@HG 118.458 30.640 -10.638
Atom #4.19/A:54@N 119.780 30.535 -5.843
Atom #4.19/A:54@CA 120.484 30.989 -4.647
Atom #4.19/A:54@C 121.688 30.099 -4.330
Atom #4.19/A:54@O 122.695 30.576 -3.807
Atom #4.19/A:54@CB 119.529 30.993 -3.454
Atom #4.19/A:54@OG 119.183 29.653 -3.129
Atom #4.19/A:54@H 118.842 30.263 -5.775
Atom #4.19/A:54@HA 120.833 31.997 -4.813
Atom #4.19/A:54@HB2 120.008 31.450 -2.605
Atom #4.19/A:54@HB3 118.642 31.559 -3.709
Atom #4.19/A:54@HG 118.246 29.632 -2.917
Atom #4.19/A:55@N 121.584 28.810 -4.644
Atom #4.19/A:55@CA 122.680 27.878 -4.385
Atom #4.19/A:55@C 122.661 27.320 -2.957
Atom #4.19/A:55@O 123.687 26.851 -2.465
Atom #4.19/A:55@H 120.759 28.480 -5.056
Atom #4.19/A:55@HA2 122.609 27.054 -5.081
Atom #4.19/A:55@HA3 123.617 28.389 -4.546
Atom #4.20/A:53@N 118.659 26.960 -8.352
Atom #4.20/A:53@CA 117.700 27.815 -9.044
Atom #4.20/A:53@C 117.073 28.810 -8.068
Atom #4.20/A:53@O 117.341 30.010 -8.136
Atom #4.20/A:53@CB 116.603 26.969 -9.695
Atom #4.20/A:53@OG 116.126 26.018 -8.752
Atom #4.20/A:53@H 118.811 27.087 -7.392
Atom #4.20/A:53@HA 118.218 28.365 -9.814
Atom #4.20/A:53@HB2 115.786 27.602 -10.000
Atom #4.20/A:53@HB3 117.008 26.466 -10.563
Atom #4.20/A:53@HG 116.408 25.147 -9.040
Atom #4.20/A:54@N 116.238 28.306 -7.163
Atom #4.20/A:54@CA 115.587 29.159 -6.174
Atom #4.20/A:54@C 116.611 29.852 -5.279
Atom #4.20/A:54@O 116.427 31.005 -4.891
Atom #4.20/A:54@CB 114.638 28.325 -5.313
Atom #4.20/A:54@OG 113.721 27.642 -6.156
Atom #4.20/A:54@H 116.057 27.342 -7.161
Atom #4.20/A:54@HA 115.011 29.913 -6.691
Atom #4.20/A:54@HB2 115.202 27.601 -4.748
Atom #4.20/A:54@HB3 114.109 28.976 -4.630
Atom #4.20/A:54@HG 113.990 26.722 -6.205
Atom #4.20/A:55@N 117.691 29.146 -4.953
Atom #4.20/A:55@CA 118.720 29.699 -4.074
Atom #4.20/A:55@C 118.417 29.467 -2.590
Atom #4.20/A:55@O 118.946 30.175 -1.732
Atom #4.20/A:55@H 117.798 28.239 -5.308
Atom #4.20/A:55@HA2 119.667 29.235 -4.313
Atom #4.20/A:55@HA3 118.797 30.761 -4.252
> select #4/A:53-55@CA
60 atoms, 60 residues, 20 models selected
> getcrd sel
Atom #4.1/A:53@CA -2.718 -14.903 32.797
Atom #4.1/A:54@CA -4.644 -12.095 34.509
Atom #4.1/A:55@CA -7.864 -13.255 32.828
Atom #4.2/A:53@CA 125.246 29.083 -6.794
Atom #4.2/A:54@CA 123.827 30.858 -3.740
Atom #4.2/A:55@CA 124.258 27.661 -1.692
Atom #4.3/A:53@CA 123.421 25.767 -11.520
Atom #4.3/A:54@CA 119.951 26.877 -10.434
Atom #4.3/A:55@CA 119.934 28.430 -6.960
Atom #4.4/A:53@CA 124.898 29.595 -6.307
Atom #4.4/A:54@CA 122.736 31.506 -3.811
Atom #4.4/A:55@CA 123.723 28.949 -1.154
Atom #4.5/A:53@CA 127.097 25.608 -6.640
Atom #4.5/A:54@CA 125.726 28.239 -4.263
Atom #4.5/A:55@CA 126.628 26.010 -1.299
Atom #4.6/A:53@CA 118.136 30.162 -8.479
Atom #4.6/A:54@CA 118.393 31.589 -4.960
Atom #4.6/A:55@CA 120.950 28.888 -4.122
Atom #4.7/A:53@CA 126.715 28.635 -4.330
Atom #4.7/A:54@CA 123.491 30.545 -3.656
Atom #4.7/A:55@CA 119.776 29.749 -3.441
Atom #4.8/A:53@CA 123.563 29.068 -7.801
Atom #4.8/A:54@CA 123.434 30.618 -4.322
Atom #4.8/A:55@CA 124.930 27.431 -2.855
Atom #4.9/A:53@CA 115.989 26.194 -11.620
Atom #4.9/A:54@CA 113.797 27.709 -8.905
Atom #4.9/A:55@CA 116.887 29.103 -7.150
Atom #4.10/A:53@CA 124.465 29.321 -7.255
Atom #4.10/A:54@CA 123.156 31.015 -4.103
Atom #4.10/A:55@CA 123.977 27.895 -2.060
Atom #4.11/A:53@CA 122.068 29.873 -6.913
Atom #4.11/A:54@CA 122.351 31.204 -3.355
Atom #4.11/A:55@CA 124.277 28.054 -2.393
Atom #4.12/A:53@CA 122.058 28.943 -6.390
Atom #4.12/A:54@CA 119.654 31.013 -4.293
Atom #4.12/A:55@CA 121.656 30.078 -1.171
Atom #4.13/A:53@CA 123.899 26.405 -4.757
Atom #4.13/A:54@CA 125.912 28.665 -2.458
Atom #4.13/A:55@CA 124.166 30.009 0.643
Atom #4.14/A:53@CA 124.684 28.038 -5.516
Atom #4.14/A:54@CA 121.600 29.996 -4.464
Atom #4.14/A:55@CA 122.765 29.691 -0.840
Atom #4.15/A:53@CA 123.099 28.916 -9.099
Atom #4.15/A:54@CA 122.005 30.810 -5.978
Atom #4.15/A:55@CA 123.531 28.065 -3.815
Atom #4.16/A:53@CA 119.637 24.577 -11.822
Atom #4.16/A:54@CA 119.486 28.330 -11.200
Atom #4.16/A:55@CA 120.610 27.803 -7.572
Atom #4.17/A:53@CA 125.820 26.337 -7.487
Atom #4.17/A:54@CA 123.945 28.959 -5.470
Atom #4.17/A:55@CA 125.273 27.381 -2.251
Atom #4.18/A:53@CA 118.191 30.742 -6.702
Atom #4.18/A:54@CA 117.464 31.844 -3.127
Atom #4.18/A:55@CA 120.284 29.584 -1.914
Atom #4.19/A:53@CA 119.558 29.984 -8.204
Atom #4.19/A:54@CA 120.484 30.989 -4.647
Atom #4.19/A:55@CA 122.680 27.878 -4.385
Atom #4.20/A:53@CA 117.700 27.815 -9.044
Atom #4.20/A:54@CA 115.587 29.159 -6.174
Atom #4.20/A:55@CA 118.720 29.699 -4.074
> select #3/A:53-55@CA
3 atoms, 3 residues, 1 model selected
> getcrd sel
Atom #3/A:53@CA -1.447 2.950 -10.492
Atom #3/A:54@CA 1.188 3.983 -13.069
Atom #3/A:55@CA 0.692 5.688 -16.444
> select #3/A:95-97@CA
3 atoms, 3 residues, 1 model selected
> getcrd sel
Atom #3/A:95@CA 9.781 4.496 -10.919
Atom #3/A:96@CA 13.589 4.771 -10.654
Atom #3/A:97@CA 14.372 1.789 -12.948
> select #4.1/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.2/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.3/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.4/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.5/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.6/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.7/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.8/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.9/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.10/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.11/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.12/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.13/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.14/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.15/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.16/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.17/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.18/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.19/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
> #4.20/A:3-15,20-30,38-48,60-73,77-90,104-115,122-132,135-148
30200 atoms, 30500 bonds, 2000 residues, 20 models selected
> select #4.1/A:53-55 #4.2/A:53-55 #4.3/A:53-55 #4.4/A:53-55 #4.5/A:53-55
> #4.6/A:53-55 #4.7/A:53-55 #4.8/A:53-55 #4.9/A:53-55 #4.10/A:53-55
> #4.11/A:53-55 #4.12/A:53-55 #4.13/A:53-55 #4.14/A:53-55 #4.15/A:53-55
> #4.16/A:53-55 #4.17/A:53-55 #4.18/A:53-55 #4.19/A:53-55 #4.20/A:53-55
580 atoms, 560 bonds, 60 residues, 20 models selected
> move y 20 models #2
> measure center #2
Center of area of surface rectangle #2 = (-9.49, -7.80, 34.79)
> measure center #2
Center of area of surface rectangle #2 = (-6.48, -9.04, 15.06)
> redo
> move y 20 models #2
> undo
> redo
> undo
> redo
> undo
> redo
> undo
> move y 20 models #2
> measure center #2
Center of area of surface rectangle #2 = (-7.10, -9.25, 35.05)
> measure center #2
Center of area of surface rectangle #2 = (-6.48, -9.04, 15.06)
> measure center #2
Center of area of surface rectangle #2 = (-6.48, -9.04, 15.06)
> redo
> move y 20 models #2
> measure center #2
Center of area of surface rectangle #2 = (-7.15, -9.19, 35.05)
> matchmaker #4.4 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.4), sequence alignment score = 703.6
RMSD between 106 pruned atom pairs is 1.150 angstroms; (across all 148 pairs:
4.159)
> hide #4.1 models
> hide #4.4 models
> show #4.4 models
> getcrd sel
Atom #4.1/A:53@N -3.377 -15.004 31.500
Atom #4.1/A:53@CA -2.718 -14.903 32.797
Atom #4.1/A:53@C -3.629 -14.186 33.795
Atom #4.1/A:53@O -4.200 -14.816 34.685
Atom #4.1/A:53@CB -1.382 -14.162 32.660
Atom #4.1/A:53@OG -0.348 -15.107 32.419
Atom #4.1/A:53@H -4.276 -14.627 31.390
Atom #4.1/A:53@HA -2.523 -15.901 33.164
Atom #4.1/A:53@HB2 -1.432 -13.475 31.832
Atom #4.1/A:53@HB3 -1.181 -13.609 33.568
Atom #4.1/A:53@HG -0.123 -15.069 31.487
Atom #4.1/A:54@N -3.763 -12.871 33.642
Atom #4.1/A:54@CA -4.644 -12.095 34.509
Atom #4.1/A:54@C -6.101 -12.529 34.344
Atom #4.1/A:54@O -6.857 -12.570 35.316
Atom #4.1/A:54@CB -4.518 -10.607 34.181
Atom #4.1/A:54@OG -3.152 -10.224 34.272
Atom #4.1/A:54@H -3.261 -12.414 32.935
Atom #4.1/A:54@HA -4.349 -12.250 35.537
Atom #4.1/A:54@HB2 -4.868 -10.423 33.178
Atom #4.1/A:54@HB3 -5.116 -10.035 34.877
Atom #4.1/A:54@HG -2.938 -9.704 33.494
Atom #4.1/A:55@N -6.487 -12.853 33.114
Atom #4.1/A:55@CA -7.864 -13.255 32.828
Atom #4.1/A:55@C -8.723 -12.112 32.264
Atom #4.1/A:55@O -9.862 -12.347 31.858
Atom #4.1/A:55@H -5.835 -12.821 32.382
Atom #4.1/A:55@HA2 -7.848 -14.062 32.112
Atom #4.1/A:55@HA3 -8.317 -13.611 33.741
Atom #4.2/A:53@N 124.160 28.109 -6.855
Atom #4.2/A:53@CA 125.246 29.083 -6.794
Atom #4.2/A:53@C 125.207 29.843 -5.470
Atom #4.2/A:53@O 126.245 30.103 -4.861
Atom #4.2/A:53@CB 125.130 30.070 -7.955
Atom #4.2/A:53@OG 125.070 29.347 -9.177
Atom #4.2/A:53@H 123.509 28.155 -7.586
Atom #4.2/A:53@HA 126.188 28.562 -6.872
Atom #4.2/A:53@HB2 124.230 30.655 -7.848
Atom #4.2/A:53@HB3 125.986 30.730 -7.950
Atom #4.2/A:53@HG 124.423 28.645 -9.076
Atom #4.2/A:54@N 124.002 30.196 -5.031
Atom #4.2/A:54@CA 123.827 30.858 -3.740
Atom #4.2/A:54@C 124.188 29.931 -2.575
Atom #4.2/A:54@O 124.644 30.393 -1.529
Atom #4.2/A:54@CB 122.378 31.319 -3.589
Atom #4.2/A:54@OG 121.535 30.180 -3.475
Atom #4.2/A:54@H 123.215 30.009 -5.584
Atom #4.2/A:54@HA 124.469 31.726 -3.704
Atom #4.2/A:54@HB2 122.277 31.920 -2.699
Atom #4.2/A:54@HB3 122.098 31.910 -4.451
Atom #4.2/A:54@HG 121.622 29.665 -4.281
Atom #4.2/A:55@N 123.983 28.627 -2.755
Atom #4.2/A:55@CA 124.258 27.661 -1.692
Atom #4.2/A:55@C 123.004 27.245 -0.908
Atom #4.2/A:55@O 123.101 26.442 0.020
Atom #4.2/A:55@H 123.640 28.309 -3.616
Atom #4.2/A:55@HA2 124.697 26.778 -2.133
Atom #4.2/A:55@HA3 124.969 28.096 -1.005
Atom #4.3/A:53@N 123.845 24.514 -10.895
Atom #4.3/A:53@CA 123.421 25.767 -11.520
Atom #4.3/A:53@C 121.901 25.911 -11.516
Atom #4.3/A:53@O 121.209 25.377 -12.383
Atom #4.3/A:53@CB 123.945 25.838 -12.956
Atom #4.3/A:53@OG 123.239 24.908 -13.765
Atom #4.3/A:53@H 124.530 24.542 -10.194
Atom #4.3/A:53@HA 123.845 26.588 -10.962
Atom #4.3/A:53@HB2 123.795 26.830 -13.349
Atom #4.3/A:53@HB3 125.003 25.612 -12.960
Atom #4.3/A:53@HG 122.314 25.165 -13.775
Atom #4.3/A:54@N 121.388 26.649 -10.537
Atom #4.3/A:54@CA 119.951 26.877 -10.434
Atom #4.3/A:54@C 119.645 27.862 -9.310
Atom #4.3/A:54@O 118.964 28.866 -9.518
Atom #4.3/A:54@CB 119.231 25.554 -10.166
Atom #4.3/A:54@OG 117.855 25.813 -9.923
Atom #4.3/A:54@H 121.987 27.048 -9.871
Atom #4.3/A:54@HA 119.593 27.286 -11.367
Atom #4.3/A:54@HB2 119.321 24.909 -11.024
Atom #4.3/A:54@HB3 119.680 25.071 -9.308
Atom #4.3/A:54@HG 117.350 25.437 -10.648
Atom #4.3/A:55@N 120.155 27.565 -8.119
Atom #4.3/A:55@CA 119.934 28.430 -6.960
Atom #4.3/A:55@C 118.765 27.974 -6.075
Atom #4.3/A:55@O 118.555 28.536 -5.000
Atom #4.3/A:55@H 120.689 26.750 -8.015
Atom #4.3/A:55@HA2 120.834 28.445 -6.363
Atom #4.3/A:55@HA3 119.734 29.432 -7.310
Atom #4.4/A:53@N -6.501 -15.060 33.437
Atom #4.4/A:53@CA -7.318 -15.982 34.222
Atom #4.4/A:53@C -8.514 -15.269 34.856
Atom #4.4/A:53@O -9.582 -15.858 35.013
Atom #4.4/A:53@CB -6.467 -16.623 35.320
Atom #4.4/A:53@OG -6.109 -15.631 36.272
Atom #4.4/A:53@H -5.554 -14.944 33.661
Atom #4.4/A:53@HA -7.685 -16.762 33.570
Atom #4.4/A:53@HB2 -7.033 -17.397 35.813
Atom #4.4/A:53@HB3 -5.582 -17.059 34.877
Atom #4.4/A:53@HG -6.613 -15.794 37.073
Atom #4.4/A:54@N -8.333 -14.001 35.220
Atom #4.4/A:54@CA -9.417 -13.218 35.807
Atom #4.4/A:54@C -10.632 -13.164 34.879
Atom #4.4/A:54@O -11.772 -13.137 35.342
Atom #4.4/A:54@CB -8.934 -11.796 36.093
Atom #4.4/A:54@OG -9.940 -11.098 36.815
Atom #4.4/A:54@H -7.455 -13.585 35.093
Atom #4.4/A:54@HA -9.712 -13.676 36.739
Atom #4.4/A:54@HB2 -8.034 -11.830 36.687
Atom #4.4/A:54@HB3 -8.725 -11.294 35.158
Atom #4.4/A:54@HG -10.702 -10.996 36.238
Atom #4.4/A:55@N -10.388 -13.150 33.570
Atom #4.4/A:55@CA -11.476 -13.081 32.595
Atom #4.4/A:55@C -11.686 -11.676 32.011
Atom #4.4/A:55@O -12.625 -11.467 31.245
Atom #4.4/A:55@H -9.461 -13.185 33.254
Atom #4.4/A:55@HA2 -11.258 -13.762 31.786
Atom #4.4/A:55@HA3 -12.390 -13.398 33.074
Atom #4.5/A:53@N 126.519 24.396 -6.072
Atom #4.5/A:53@CA 127.097 25.608 -6.640
Atom #4.5/A:53@C 127.078 26.732 -5.610
Atom #4.5/A:53@O 128.126 27.176 -5.140
Atom #4.5/A:53@CB 126.312 26.037 -7.881
Atom #4.5/A:53@OG 125.987 24.887 -8.651
Atom #4.5/A:53@H 125.974 24.459 -5.261
Atom #4.5/A:53@HA 128.120 25.409 -6.925
Atom #4.5/A:53@HB2 125.402 26.530 -7.586
Atom #4.5/A:53@HB3 126.913 26.721 -8.465
Atom #4.5/A:53@HG 125.127 25.033 -9.054
Atom #4.5/A:54@N 125.878 27.187 -5.264
Atom #4.5/A:54@CA 125.726 28.239 -4.263
Atom #4.5/A:54@C 126.294 27.808 -2.910
Atom #4.5/A:54@O 126.841 28.628 -2.172
Atom #4.5/A:54@CB 124.247 28.590 -4.102
Atom #4.5/A:54@OG 123.712 28.949 -5.370
Atom #4.5/A:54@H 125.080 26.807 -5.686
Atom #4.5/A:54@HA 126.255 29.118 -4.599
Atom #4.5/A:54@HB2 123.708 27.738 -3.722
Atom #4.5/A:54@HB3 124.148 29.413 -3.406
Atom #4.5/A:54@HG 124.031 28.315 -6.016
Atom #4.5/A:55@N 126.164 26.523 -2.589
Atom #4.5/A:55@CA 126.628 26.010 -1.299
Atom #4.5/A:55@C 125.490 25.790 -0.291
Atom #4.5/A:55@O 125.724 25.239 0.786
Atom #4.5/A:55@H 125.748 25.908 -3.228
Atom #4.5/A:55@HA2 127.132 25.069 -1.463
Atom #4.5/A:55@HA3 127.332 26.712 -0.879
Atom #4.6/A:53@N 117.359 28.993 -8.076
Atom #4.6/A:53@CA 118.136 30.162 -8.479
Atom #4.6/A:53@C 118.715 30.877 -7.261
Atom #4.6/A:53@O 119.848 31.358 -7.296
Atom #4.6/A:53@CB 117.249 31.128 -9.266
Atom #4.6/A:53@OG 118.055 32.171 -9.798
Atom #4.6/A:53@H 116.416 28.929 -8.333
Atom #4.6/A:53@HA 118.946 29.840 -9.115
Atom #4.6/A:53@HB2 116.770 30.605 -10.077
Atom #4.6/A:53@HB3 116.493 31.536 -8.609
Atom #4.6/A:53@HG 117.684 33.009 -9.512
Atom #4.6/A:54@N 117.935 30.945 -6.187
Atom #4.6/A:54@CA 118.393 31.589 -4.960
Atom #4.6/A:54@C 119.671 30.935 -4.436
Atom #4.6/A:54@O 120.548 31.613 -3.900
Atom #4.6/A:54@CB 117.304 31.503 -3.890
Atom #4.6/A:54@OG 116.100 32.055 -4.405
Atom #4.6/A:54@H 117.036 30.556 -6.219
Atom #4.6/A:54@HA 118.593 32.630 -5.165
Atom #4.6/A:54@HB2 117.134 30.473 -3.625
Atom #4.6/A:54@HB3 117.622 32.049 -3.011
Atom #4.6/A:54@HG 115.364 31.622 -3.966
Atom #4.6/A:55@N 119.775 29.618 -4.593
Atom #4.6/A:55@CA 120.950 28.888 -4.122
Atom #4.6/A:55@C 120.811 28.414 -2.672
Atom #4.6/A:55@O 121.815 28.129 -2.018
Atom #4.6/A:55@H 119.049 29.129 -5.034
Atom #4.6/A:55@HA2 121.102 28.027 -4.756
Atom #4.6/A:55@HA3 121.814 29.532 -4.197
Atom #4.7/A:53@N 126.048 27.507 -4.972
Atom #4.7/A:53@CA 126.715 28.635 -4.330
Atom #4.7/A:53@C 125.702 29.532 -3.620
Atom #4.7/A:53@O 125.967 30.043 -2.533
Atom #4.7/A:53@CB 127.480 29.451 -5.371
Atom #4.7/A:53@OG 128.371 28.595 -6.074
Atom #4.7/A:53@H 126.140 27.380 -5.940
Atom #4.7/A:53@HA 127.417 28.257 -3.600
Atom #4.7/A:53@HB2 126.788 29.890 -6.071
Atom #4.7/A:53@HB3 128.029 30.241 -4.875
Atom #4.7/A:53@HG 129.268 28.836 -5.829
Atom #4.7/A:54@N 124.541 29.721 -4.243
Atom #4.7/A:54@CA 123.491 30.545 -3.656
Atom #4.7/A:54@C 122.115 30.008 -4.040
Atom #4.7/A:54@O 121.948 29.418 -5.107
Atom #4.7/A:54@CB 123.630 31.990 -4.137
Atom #4.7/A:54@OG 122.681 32.801 -3.459
Atom #4.7/A:54@H 124.388 29.297 -5.113
Atom #4.7/A:54@HA 123.587 30.524 -2.580
Atom #4.7/A:54@HB2 124.622 32.352 -3.922
Atom #4.7/A:54@HB3 123.462 32.027 -5.205
Atom #4.7/A:54@HG 122.899 32.791 -2.524
Atom #4.7/A:55@N 121.134 30.215 -3.167
Atom #4.7/A:55@CA 119.776 29.749 -3.441
Atom #4.7/A:55@C 119.557 28.287 -3.036
Atom #4.7/A:55@O 118.636 27.640 -3.535
Atom #4.7/A:55@H 121.324 30.686 -2.329
Atom #4.7/A:55@HA2 119.080 30.369 -2.895
Atom #4.7/A:55@HA3 119.578 29.851 -4.497
Atom #4.8/A:53@N 122.482 28.122 -7.538
Atom #4.8/A:53@CA 123.563 29.068 -7.801
Atom #4.8/A:53@C 124.035 29.731 -6.507
Atom #4.8/A:53@O 125.228 29.978 -6.328
Atom #4.8/A:53@CB 123.090 30.140 -8.781
Atom #4.8/A:53@OG 122.110 30.952 -8.148
Atom #4.8/A:53@H 121.599 28.276 -7.933
Atom #4.8/A:53@HA 124.392 28.535 -8.243
Atom #4.8/A:53@HB2 123.923 30.758 -9.076
Atom #4.8/A:53@HB3 122.673 29.663 -9.659
Atom #4.8/A:53@HG 122.415 31.862 -8.177
Atom #4.8/A:54@N 123.097 30.017 -5.609
Atom #4.8/A:54@CA 123.434 30.618 -4.322
Atom #4.8/A:54@C 124.351 29.705 -3.507
Atom #4.8/A:54@O 125.236 30.180 -2.796
Atom #4.8/A:54@CB 122.158 30.897 -3.528
Atom #4.8/A:54@OG 121.284 31.694 -4.315
Atom #4.8/A:54@H 122.159 29.820 -5.815
Atom #4.8/A:54@HA 123.943 31.553 -4.498
Atom #4.8/A:54@HB2 121.667 29.967 -3.290
Atom #4.8/A:54@HB3 122.412 31.410 -2.611
Atom #4.8/A:54@HG 121.221 32.559 -3.905
Atom #4.8/A:55@N 124.134 28.396 -3.612
Atom #4.8/A:55@CA 124.930 27.431 -2.855
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Atom #4.20/A:53@OG 116.126 26.018 -8.752
Atom #4.20/A:53@H 118.811 27.087 -7.392
Atom #4.20/A:53@HA 118.218 28.365 -9.814
Atom #4.20/A:53@HB2 115.786 27.602 -10.000
Atom #4.20/A:53@HB3 117.008 26.466 -10.563
Atom #4.20/A:53@HG 116.408 25.147 -9.040
Atom #4.20/A:54@N 116.238 28.306 -7.163
Atom #4.20/A:54@CA 115.587 29.159 -6.174
Atom #4.20/A:54@C 116.611 29.852 -5.279
Atom #4.20/A:54@O 116.427 31.005 -4.891
Atom #4.20/A:54@CB 114.638 28.325 -5.313
Atom #4.20/A:54@OG 113.721 27.642 -6.156
Atom #4.20/A:54@H 116.057 27.342 -7.161
Atom #4.20/A:54@HA 115.011 29.913 -6.691
Atom #4.20/A:54@HB2 115.202 27.601 -4.748
Atom #4.20/A:54@HB3 114.109 28.976 -4.630
Atom #4.20/A:54@HG 113.990 26.722 -6.205
Atom #4.20/A:55@N 117.691 29.146 -4.953
Atom #4.20/A:55@CA 118.720 29.699 -4.074
Atom #4.20/A:55@C 118.417 29.467 -2.590
Atom #4.20/A:55@O 118.946 30.175 -1.732
Atom #4.20/A:55@H 117.798 28.239 -5.308
Atom #4.20/A:55@HA2 119.667 29.235 -4.313
Atom #4.20/A:55@HA3 118.797 30.761 -4.252
> matchmaker #4.2 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.2), sequence alignment score = 729.4
RMSD between 103 pruned atom pairs is 1.128 angstroms; (across all 148 pairs:
4.520)
> matchmaker #4.3 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.3), sequence alignment score = 725.2
RMSD between 100 pruned atom pairs is 1.239 angstroms; (across all 148 pairs:
4.182)
> matchmaker #4.5 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.5), sequence alignment score = 710.8
RMSD between 98 pruned atom pairs is 1.172 angstroms; (across all 148 pairs:
4.609)
> matchmaker #4.6 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.6), sequence alignment score = 718.6
RMSD between 98 pruned atom pairs is 1.259 angstroms; (across all 148 pairs:
4.091)
> matchmaker #4.7 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.7), sequence alignment score = 718
RMSD between 104 pruned atom pairs is 1.138 angstroms; (across all 148 pairs:
4.731)
> matchmaker #4.8 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.8), sequence alignment score = 718
RMSD between 97 pruned atom pairs is 1.239 angstroms; (across all 148 pairs:
3.996)
> matchmaker #4.9 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.9), sequence alignment score = 711.4
RMSD between 104 pruned atom pairs is 1.276 angstroms; (across all 148 pairs:
4.516)
> matchmaker #4.10 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.10), sequence alignment score = 704.2
RMSD between 96 pruned atom pairs is 1.219 angstroms; (across all 148 pairs:
4.950)
> matchmaker #4.11 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.11), sequence alignment score = 707.8
RMSD between 93 pruned atom pairs is 1.245 angstroms; (across all 148 pairs:
4.612)
> matchmaker #4.12 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.12), sequence alignment score = 718
RMSD between 99 pruned atom pairs is 1.209 angstroms; (across all 148 pairs:
4.067)
> matchmaker #4.13 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.13), sequence alignment score = 722.2
RMSD between 99 pruned atom pairs is 1.144 angstroms; (across all 148 pairs:
4.378)
> matchmaker #4.14 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.14), sequence alignment score = 714.4
RMSD between 96 pruned atom pairs is 1.131 angstroms; (across all 148 pairs:
4.271)
> matchmaker #4.15 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.15), sequence alignment score = 711.4
RMSD between 104 pruned atom pairs is 1.219 angstroms; (across all 148 pairs:
4.119)
> matchmaker #4.16 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.16), sequence alignment score = 711.4
RMSD between 102 pruned atom pairs is 1.216 angstroms; (across all 148 pairs:
4.316)
> matchmaker #4.17 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.17), sequence alignment score = 718.6
RMSD between 95 pruned atom pairs is 1.274 angstroms; (across all 148 pairs:
4.613)
> matchmaker #4.18 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.18), sequence alignment score = 718
RMSD between 104 pruned atom pairs is 1.131 angstroms; (across all 148 pairs:
4.915)
> matchmaker #4.19 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.19), sequence alignment score = 703.6
RMSD between 101 pruned atom pairs is 1.228 angstroms; (across all 148 pairs:
4.141)
> matchmaker #4.20 to #3
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker AF-P0A917-F1-model_v6.pdb, chain A (#3) with exp - 2M06.cif, chain
A (#4.20), sequence alignment score = 714.4
RMSD between 89 pruned atom pairs is 1.253 angstroms; (across all 148 pairs:
4.638)
> select #4/A:53-55@CA
60 atoms, 60 residues, 20 models selected
> getcrd sel
Atom #4.1/A:53@CA -2.718 -14.903 32.797
Atom #4.1/A:54@CA -4.644 -12.095 34.509
Atom #4.1/A:55@CA -7.864 -13.255 32.828
Atom #4.2/A:53@CA -7.785 -16.564 33.533
Atom #4.2/A:54@CA -10.594 -14.276 34.703
Atom #4.2/A:55@CA -11.670 -13.754 31.074
Atom #4.3/A:53@CA -2.063 -16.287 31.870
Atom #4.3/A:54@CA -2.240 -12.729 33.197
Atom #4.3/A:55@CA -5.813 -11.577 33.819
Atom #4.4/A:53@CA -7.318 -15.982 34.222
Atom #4.4/A:54@CA -9.417 -13.218 35.807
Atom #4.4/A:55@CA -11.476 -13.081 32.595
Atom #4.5/A:53@CA -7.758 -17.978 29.869
Atom #4.5/A:54@CA -10.231 -16.020 31.991
Atom #4.5/A:55@CA -12.535 -15.680 28.967
Atom #4.6/A:53@CA -4.855 -10.826 35.913
Atom #4.6/A:54@CA -8.525 -9.904 36.320
Atom #4.6/A:55@CA -9.291 -11.806 33.105
Atom #4.7/A:53@CA -10.103 -16.585 32.700
Atom #4.7/A:54@CA -10.173 -13.426 34.824
Atom #4.7/A:55@CA -8.927 -9.843 34.528
Atom #4.8/A:53@CA -6.282 -15.374 34.025
Atom #4.8/A:54@CA -9.831 -14.147 34.675
Atom #4.8/A:55@CA -10.726 -14.831 31.031
Atom #4.9/A:53@CA 0.208 -9.830 33.273
Atom #4.9/A:54@CA -1.979 -6.935 34.416
Atom #4.9/A:55@CA -4.957 -9.295 34.786
Atom #4.10/A:53@CA -7.064 -15.994 34.055
Atom #4.10/A:54@CA -9.980 -13.782 35.116
Atom #4.10/A:55@CA -11.223 -13.655 31.508
Atom #4.11/A:53@CA -7.141 -13.989 34.590
Atom #4.11/A:54@CA -10.834 -13.111 34.912
Atom #4.11/A:55@CA -11.380 -14.358 31.347
Atom #4.12/A:53@CA -6.596 -13.928 33.686
Atom #4.12/A:54@CA -8.345 -11.124 35.567
Atom #4.12/A:55@CA -11.543 -11.875 33.608
Atom #4.13/A:53@CA -8.947 -14.511 30.529
Atom #4.13/A:54@CA -12.338 -15.712 31.757
Atom #4.13/A:55@CA -14.959 -13.064 32.525
Atom #4.14/A:53@CA -8.610 -15.658 32.185
Atom #4.14/A:54@CA -9.162 -12.538 34.285
Atom #4.14/A:55@CA -12.710 -12.344 32.887
Atom #4.15/A:53@CA -5.153 -15.298 34.289
Atom #4.15/A:54@CA -8.161 -13.288 35.490
Atom #4.15/A:55@CA -9.808 -13.777 32.085
Atom #4.16/A:53@CA 0.223 -12.837 31.336
Atom #4.16/A:54@CA -1.337 -12.717 34.807
Atom #4.16/A:55@CA -4.836 -12.475 33.257
Atom #4.17/A:53@CA -6.877 -17.267 30.878
Atom #4.17/A:54@CA -8.880 -14.977 33.160
Atom #4.17/A:55@CA -11.731 -14.993 30.613
Atom #4.18/A:53@CA -6.363 -10.508 35.945
Atom #4.18/A:54@CA -9.678 -8.649 36.231
Atom #4.18/A:55@CA -11.006 -10.674 33.287
Atom #4.19/A:53@CA -4.797 -12.351 35.398
Atom #4.19/A:54@CA -8.595 -12.040 35.359
Atom #4.19/A:55@CA -8.657 -13.746 31.945
Atom #4.20/A:53@CA -3.210 -10.225 33.984
Atom #4.20/A:54@CA -5.533 -7.341 34.874
Atom #4.20/A:55@CA -8.570 -9.585 34.366
> select #3/A:53-55@CA
3 atoms, 3 residues, 1 model selected
> getcrd sel
Atom #3/A:53@CA -1.447 2.950 -10.492
Atom #3/A:54@CA 1.188 3.983 -13.069
Atom #3/A:55@CA 0.692 5.688 -16.444
> hide #!4 models
> select #4.1/A:53-55 #4.2/A:53-55 #4.3/A:53-55 #4.4/A:53-55 #4.5/A:53-55
> #4.6/A:53-55 #4.7/A:53-55 #4.8/A:53-55 #4.9/A:53-55 #4.10/A:53-55
> #4.11/A:53-55 #4.12/A:53-55 #4.13/A:53-55 #4.14/A:53-55 #4.15/A:53-55
> #4.16/A:53-55 #4.17/A:53-55 #4.18/A:53-55 #4.19/A:53-55 #4.20/A:53-55
580 atoms, 560 bonds, 60 residues, 20 models selected
> hide #3 models
> show #1 models
> hide #1 models
> show #3 models
> hide #3 models
> show #1 models
> hide #1 models
> show #3 models
> select #3/A:76
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #3/A:76-78
16 atoms, 15 bonds, 3 residues, 1 model selected
> select #3/A:76-78@CA
3 atoms, 3 residues, 1 model selected
> getcrd sel
Atom #3/A:76@CA -5.162 -14.841 33.381
Atom #3/A:77@CA -7.031 -12.379 35.725
Atom #3/A:78@CA -9.917 -12.167 33.161
> select #4/A:95-97@CA
60 atoms, 60 residues, 20 models selected
> getcrd sel
Atom #4.1/A:95@CA -16.810 7.491 33.455
Atom #4.1/A:96@CA -18.334 10.893 34.466
Atom #4.1/A:97@CA -19.007 13.197 31.524
Atom #4.2/A:95@CA -23.445 6.072 29.389
Atom #4.2/A:96@CA -24.652 7.133 25.918
Atom #4.2/A:97@CA -22.495 9.802 24.296
Atom #4.3/A:95@CA -20.821 3.889 31.515
Atom #4.3/A:96@CA -19.956 6.383 28.681
Atom #4.3/A:97@CA -21.187 9.967 28.674
Atom #4.4/A:95@CA -11.861 7.854 36.456
Atom #4.4/A:96@CA -14.130 9.083 33.638
Atom #4.4/A:97@CA -13.206 12.261 31.790
Atom #4.5/A:95@CA -15.063 8.211 33.814
Atom #4.5/A:96@CA -14.030 9.909 30.496
Atom #4.5/A:97@CA -12.651 13.438 30.329
Atom #4.6/A:95@CA -20.954 4.564 32.459
Atom #4.6/A:96@CA -20.490 6.910 29.467
Atom #4.6/A:97@CA -18.484 10.111 29.768
Atom #4.7/A:95@CA -25.763 4.079 24.992
Atom #4.7/A:96@CA -24.204 6.643 22.602
Atom #4.7/A:97@CA -22.888 9.904 24.028
Atom #4.8/A:95@CA -22.683 3.055 31.242
Atom #4.8/A:96@CA -22.205 6.007 28.844
Atom #4.8/A:97@CA -20.344 9.127 29.924
Atom #4.9/A:95@CA -18.957 6.955 32.582
Atom #4.9/A:96@CA -17.924 8.842 29.393
Atom #4.9/A:97@CA -16.485 12.344 29.317
Atom #4.10/A:95@CA -21.773 7.991 29.892
Atom #4.10/A:96@CA -23.374 11.481 30.317
Atom #4.10/A:97@CA -22.632 13.908 27.495
Atom #4.11/A:95@CA -23.958 5.151 28.577
Atom #4.11/A:96@CA -26.211 8.283 28.399
Atom #4.11/A:97@CA -24.973 10.859 25.903
Atom #4.12/A:95@CA -17.631 5.952 35.061
Atom #4.12/A:96@CA -19.644 8.334 32.842
Atom #4.12/A:97@CA -17.503 10.754 30.859
Atom #4.13/A:95@CA -20.596 5.897 32.813
Atom #4.13/A:96@CA -20.997 8.382 29.919
Atom #4.13/A:97@CA -18.353 11.089 29.636
Atom #4.14/A:95@CA -23.524 3.701 29.582
Atom #4.14/A:96@CA -22.861 6.280 26.820
Atom #4.14/A:97@CA -20.532 9.162 27.630
Atom #4.15/A:95@CA -19.763 5.884 33.845
Atom #4.15/A:96@CA -21.616 7.847 31.131
Atom #4.15/A:97@CA -19.491 10.503 29.455
Atom #4.16/A:95@CA -18.836 5.383 33.171
Atom #4.16/A:96@CA -19.821 6.823 29.759
Atom #4.16/A:97@CA -18.470 10.245 28.831
Atom #4.17/A:95@CA -16.773 8.109 31.917
Atom #4.17/A:96@CA -14.800 9.474 28.876
Atom #4.17/A:97@CA -13.150 12.887 28.844
Atom #4.18/A:95@CA -27.067 3.304 24.756
Atom #4.18/A:96@CA -25.555 5.735 22.208
Atom #4.18/A:97@CA -24.376 9.150 23.367
Atom #4.19/A:95@CA -13.546 6.463 35.449
Atom #4.19/A:96@CA -14.967 8.727 32.687
Atom #4.19/A:97@CA -12.584 11.294 31.216
Atom #4.20/A:95@CA -21.730 7.000 30.103
Atom #4.20/A:96@CA -19.687 8.664 27.310
Atom #4.20/A:97@CA -17.974 12.032 27.584
> select #3/A:118
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #3/A:118-120
26 atoms, 27 bonds, 3 residues, 1 model selected
> select #3/A:118-120@CA
3 atoms, 3 residues, 1 model selected
> getcrd sel
Atom #3/A:118@CA -13.531 -7.719 35.293
Atom #3/A:119@CA -16.480 -7.726 36.143
Atom #3/A:120@CA -17.912 -4.854 33.946
> select #3/A:57
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:57-59
21 atoms, 21 bonds, 3 residues, 1 model selected
> select #3/A:24-37,44-55,60-74,80-97,100-117,121-138,144-155,158-171
950 atoms, 968 bonds, 121 residues, 1 model selected
> select #3/A:53
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #3/A:53-55
30 atoms, 30 bonds, 3 residues, 1 model selected
> select #3/A:76
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #3/A:76-78
16 atoms, 15 bonds, 3 residues, 1 model selected
> select #3/A:118
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #3/A:118-120
26 atoms, 27 bonds, 3 residues, 1 model selected
> select #3/A:76
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #3/A:76-78
16 atoms, 15 bonds, 3 residues, 1 model selected
> select #3/A:118-120
26 atoms, 27 bonds, 3 residues, 1 model selected
> select #4.1/A:95 #4.2/A:95 #4.3/A:95 #4.4/A:95 #4.5/A:95 #4.6/A:95 #4.7/A:95
> #4.8/A:95 #4.9/A:95 #4.10/A:95 #4.11/A:95 #4.12/A:95 #4.13/A:95 #4.14/A:95
> #4.15/A:95 #4.16/A:95 #4.17/A:95 #4.18/A:95 #4.19/A:95 #4.20/A:95
420 atoms, 420 bonds, 20 residues, 20 models selected
> select #4.1/A:95-97 #4.2/A:95-97 #4.3/A:95-97 #4.4/A:95-97 #4.5/A:95-97
> #4.6/A:95-97 #4.7/A:95-97 #4.8/A:95-97 #4.9/A:95-97 #4.10/A:95-97
> #4.11/A:95-97 #4.12/A:95-97 #4.13/A:95-97 #4.14/A:95-97 #4.15/A:95-97
> #4.16/A:95-97 #4.17/A:95-97 #4.18/A:95-97 #4.19/A:95-97 #4.20/A:95-97
980 atoms, 1000 bonds, 60 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [95-97] RMSD: 7.199
> select #4.1/A:53-54 #4.2/A:53-54 #4.3/A:53-54 #4.4/A:53-54 #4.5/A:53-54
> #4.6/A:53-54 #4.7/A:53-54 #4.8/A:53-54 #4.9/A:53-54 #4.10/A:53-54
> #4.11/A:53-54 #4.12/A:53-54 #4.13/A:53-54 #4.14/A:53-54 #4.15/A:53-54
> #4.16/A:53-54 #4.17/A:53-54 #4.18/A:53-54 #4.19/A:53-54 #4.20/A:53-54
440 atoms, 420 bonds, 40 residues, 20 models selected
> select #4.1/A:53-55 #4.2/A:53-55 #4.3/A:53-55 #4.4/A:53-55 #4.5/A:53-55
> #4.6/A:53-55 #4.7/A:53-55 #4.8/A:53-55 #4.9/A:53-55 #4.10/A:53-55
> #4.11/A:53-55 #4.12/A:53-55 #4.13/A:53-55 #4.14/A:53-55 #4.15/A:53-55
> #4.16/A:53-55 #4.17/A:53-55 #4.18/A:53-55 #4.19/A:53-55 #4.20/A:53-55
580 atoms, 560 bonds, 60 residues, 20 models selected
Outer Membrane Protein X [ID: 1] region 20 chains [53-55] RMSD: 5.633
===== Log before crash end =====
Log:
UCSF ChimeraX version: 1.11.1 (2026-01-23)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
OpenGL version: 4.1 Metal - 90.5
OpenGL renderer: Apple M5
OpenGL vendor: Apple
Python: 3.11.9
Locale: en_US.UTF-8
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: Mac17,2
Model Number: MDE34LL/A
Chip: Apple M5
Total Number of Cores: 10 (4 performance and 6 efficiency)
Memory: 24 GB
System Firmware Version: 13822.41.1
OS Loader Version: 13822.41.1
Software:
System Software Overview:
System Version: macOS 26.1 (25B78)
Kernel Version: Darwin 25.1.0
Time since boot: 18天16小时50分钟
Graphics/Displays:
Apple M5:
Chipset Model: Apple M5
Type: GPU
Bus: Built-In
Total Number of Cores: 10
Vendor: Apple (0x106b)
Metal Support: Metal 4
Displays:
Color LCD:
Display Type: Built-in Liquid Retina XDR Display
Resolution: 3024 x 1964 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
Installed Packages:
aiohappyeyeballs: 2.6.1
aiohttp: 3.13.1
aiosignal: 1.4.0
alabaster: 1.0.0
annotated-types: 0.7.0
anyio: 4.12.1
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 3.0.1
attrs: 25.4.0
babel: 2.17.0
beautifulsoup4: 4.13.5
blockdiag: 3.0.0
blosc2: 3.12.2
build: 1.3.0
certifi: 2025.7.14
cftime: 1.6.5
charset-normalizer: 3.4.4
ChimeraX-AddCharge: 1.5.20
ChimeraX-AddH: 2.2.8
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 3.1.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Animations: 1.0
ChimeraX-Aniso: 1.3.2
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.61.4
ChimeraX-AtomicLibrary: 14.2.1
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-Boltz: 1.1
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.6.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.5
ChimeraX-ChemGroup: 2.0.2
ChimeraX-Clashes: 2.3
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.3.0
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.11.1
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.5
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.4
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.4
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.4.1
ChimeraX-Hbonds: 2.5.3
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.4
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.7.3
ChimeraX-Label: 1.2
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.2
ChimeraX-Map: 1.3
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.2.2
ChimeraX-MCopy: 1.0
ChimeraX-MCPServer: 0.1.0
ChimeraX-MDcrds: 2.17.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.3.2
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.22
ChimeraX-ModelPanel: 1.6
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0.1
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.15.2
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.12
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.5
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.4
ChimeraX-ProfileGrids: 1.4.2
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.5
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.3
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.2
ChimeraX-Scenes: 0.3.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.10
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.3
ChimeraX-Shape: 1.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.1
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.49.1
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDock: 1.5.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.5
ChimeraX-Zone: 1.0.1
click: 8.3.1
colorama: 0.4.6
comm: 0.2.3
contourpy: 1.3.3
coverage: 7.13.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.1.4
debugpy: 1.8.19
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.1
filelock: 3.19.1
fonttools: 4.61.1
frozenlist: 1.8.0
funcparserlib: 2.0.0a0
glfw: 2.10.0
grako: 3.16.5
h11: 0.16.0
h5py: 3.15.1
html2text: 2025.4.15
httpcore: 1.0.9
httpx: 0.28.1
httpx-sse: 0.4.3
idna: 3.11
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.3.0
ipykernel: 6.30.1
ipython: 9.5.0
ipython_pygments_lexers: 1.1.1
ipywidgets: 8.1.8
jedi: 0.19.2
Jinja2: 3.1.6
jsonschema: 4.26.0
jsonschema-specifications: 2025.9.1
jupyter_client: 8.6.3
jupyter_core: 5.9.1
jupyterlab_widgets: 3.0.16
kiwisolver: 1.4.9
line_profiler: 5.0.0
lxml: 6.0.2
lz4: 4.3.2
Markdown: 3.8.2
MarkupSafe: 3.0.3
matplotlib: 3.10.7
matplotlib-inline: 0.2.1
mcp: 1.18.0
msgpack: 1.1.1
multidict: 6.7.0
ndindex: 1.10.1
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.14.1
numpy: 1.26.4
OpenMM: 8.2.0
openvr: 1.26.701
packaging: 25.0
ParmEd: 4.2.2
parso: 0.8.5
pep517: 0.13.1
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 11.3.0
pip: 25.2
pkginfo: 1.12.1.2
platformdirs: 4.5.1
pluggy: 1.6.0
prompt_toolkit: 3.0.52
propcache: 0.4.1
psutil: 7.0.0
ptyprocess: 0.7.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pybind11: 3.0.1
pycollada: 0.8
pydantic: 2.12.5
pydantic-settings: 2.12.0
pydantic_core: 2.41.5
pydicom: 2.4.4
Pygments: 2.18.0
pynmrstar: 3.3.6
pynrrd: 1.0.0
PyOpenGL: 3.1.10
PyOpenGL-accelerate: 3.1.10
pyopenxr: 1.1.4501
pyparsing: 3.3.2
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.9.1
PyQt6-Qt6: 6.9.2
PyQt6-WebEngine-commercial: 6.9.0
PyQt6-WebEngine-Qt6: 6.9.2
PyQt6_sip: 13.10.2
pytest: 9.0.2
pytest-cov: 7.0.0
python-dateutil: 2.9.0.post0
python-dotenv: 1.2.1
python-multipart: 0.0.21
pyzmq: 27.1.0
qtconsole: 5.7.0
QtPy: 2.4.3
qtshim: 1.2
RandomWords: 0.4.0
referencing: 0.37.0
requests: 2.32.5
roman-numerals: 4.1.0
roman-numerals-py: 4.1.0
rpds-py: 0.30.0
scipy: 1.14.0
setuptools: 80.9.0
sfftk-rw: 0.8.1
six: 1.17.0
snowballstemmer: 3.0.1
sortedcontainers: 2.4.0
soupsieve: 2.8.3
Sphinx: 8.2.3
sphinx-autodoc-typehints: 3.2.0
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
sse-starlette: 3.2.0
stack-data: 0.6.3
starlette: 0.52.1
superqt: 0.7.6
tables: 3.10.2
tcia_utils: 1.5.1
tifffile: 2025.3.13
tinyarray: 1.2.5
tornado: 6.5.4
traitlets: 5.14.3
typing-inspection: 0.4.2
typing_extensions: 4.15.0
urllib3: 2.6.3
uvicorn: 0.40.0
wcwidth: 0.3.2
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.15
yarl: 1.22.0
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