Opened 11 hours ago

#19768 new defect

ChimeraX bug report submission

Reported by: chimerax-bug-report@… 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-26.2-arm64-arm-64bit
ChimeraX Version: 1.11 (2025-12-17 06:45:39 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 0x00000001f905ec40 (most recent call first):
  File "/Applications/ChimeraX-1.11.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.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.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.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.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.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.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, chimerax.map._map, psutil._psutil_osx, psutil._psutil_posix, chimerax.surface._surface, chimerax.pdb_lib._load_libs, PIL._imaging, 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, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, lxml._elementpath, lxml.etree, PIL._imagingmath, chimerax.mlp._mlp, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.coulombic._esp (total: 63)


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  "uptime" : 350000,
  "procRole" : "Background",
  "version" : 2,
  "userID" : 501,
  "deployVersion" : 210,
  "modelCode" : "Mac13,1",
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    "releaseType" : "User"
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  "captureTime" : "2026-01-23 13:01:37.7496 +0900",
  "codeSigningMonitor" : 1,
  "incident" : "A27D9C38-FE17-4A98-8B69-5938DF4212B1",
  "pid" : 20504,
  "translated" : false,
  "cpuType" : "ARM-64",
  "procLaunch" : "2026-01-21 17:10:52.2967 +0900",
  "procStartAbsTime" : 4801116350297,
  "procExitAbsTime" : 8589407847271,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.11.app\/Contents\/MacOS\/ChimeraX",
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  "storeInfo" : {"deviceIdentifierForVendor":"A1C1BA6C-C43F-54B8-98F3-283FF20A8DA8","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "508537E5-4B74-46FC-076B-5A833F958BCF",
  "appleIntelligenceStatus" : {"state":"restricted","reasons":["assetIsNotReady"]},
  "developerMode" : 1,
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 4294967295,
  "codeSigningAuxiliaryInfo" : 0,
  "instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRFOD\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkQng\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="},
  "bootSessionUUID" : "4AF77F09-E993-4B9D-9FAA-9C504FE1D54F",
  "sip" : "enabled",
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      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      MALLOC_LARGE                648000000-64b3ac000    [ 51.7M] rw-\/rwx SM=PRV  
      GAP OF 0x6cc54000 BYTES
--->  commpage (reserved)         6b8000000-9b3400000    [ 11.9G] ---\/--- SM=NUL  reserved VM address space (unallocated)
      MALLOC_SMALL                9b3400000-9b3800000    [ 4096K] rw-\/rwx SM=PRV  ",
  "exception" : {"codes":"0x0000000000000002, 0x0000000900001340","rawCodes":[2,38654710592],"type":"EXC_BAD_ACCESS","signal":"SIGBUS","subtype":"KERN_PROTECTION_FAILURE at 0x0000000900001340"},
  "termination" : {"flags":0,"code":10,"namespace":"SIGNAL","indicator":"Bus error: 10","byProc":"ChimeraX","byPid":20504},
  "vmregioninfo" : "0x900001340 is in 0x6b8000000-0x9b3400000;  bytes after start: 9797899072  bytes before end: 3007311039
      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      MALLOC_LARGE                648000000-64b3ac000    [ 51.7M] rw-\/rwx SM=PRV  
      GAP OF 0x6cc54000 BYTES
--->  commpage (reserved)         6b8000000-9b3400000    [ 11.9G] ---\/--- SM=NUL  reserved VM address space (unallocated)
      MALLOC_SMALL                9b3400000-9b3800000    [ 4096K] rw-\/rwx SM=PRV  ",
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===== Log before crash start =====
UCSF ChimeraX version: 1.11 (2025-12-17)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/GP-1-cut.cxs format session

> view name session-start

opened ChimeraX session  

> select #1 :20,105,140

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

> color bfactor sel

24 atoms, 3 residues, atom bfactor range 97 to 98.7  

> select add #1

3562 atoms, 3640 bonds, 1 pseudobond, 490 residues, 4 models selected  

> color bfactor sel

3562 atoms, 490 residues, atom bfactor range 0 to 98.9  

> select subtract #1

Nothing selected  

> select #1 :20,105,140

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

> save /Users/kouei/Desktop/image52.png supersample 3

> close session

> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/J-2-cut.cxs format session

> view name session-start

opened ChimeraX session  

> color bfactor

3558 atoms, 490 residues, atom bfactor range 0 to 98.9  

> select #1 :20,105,140

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

> save /Users/kouei/Desktop/image53.png supersample 3

> close session

> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/GP-2-cut.cxs format session

> view name session-start

opened ChimeraX session  

> color bfactor

3519 atoms, 489 residues, 1 surfaces, atom bfactor range 0 to 98.9  

> select #1 :20,105,140

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

> save /Users/kouei/Desktop/image54.png supersample 3

> close session

> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/J-3-cut.cxs format session

> view name session-start

opened ChimeraX session  

> color bfactor

3360 atoms, 464 residues, atom bfactor range 0 to 98.4  

> select #1 :140,215,274

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

> save /Users/kouei/Desktop/image55.png supersample 3

> mlp sel

Map values for surface "fold_j3_signalcut_model_0.cif_A SES surface": minimum
-30.06, mean -6.987, maximum 21.46  
To also show corresponding color key, enter the above mlp command and add key
true  

> select add #1

3360 atoms, 3442 bonds, 1 pseudobond, 464 residues, 5 models selected  

> mlp sel

Map values for surface "fold_j3_signalcut_model_0.cif_A SES surface": minimum
-30.06, mean -6.987, maximum 21.46  
To also show corresponding color key, enter the above mlp command and add key
true  

> select subtract #1

1 model selected  

> select #1 :140,215,274

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

> close session

> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_gp_1_signalcut_model_0.cif
> /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_gp_2_signalcut_model_0.cif
> /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_j1_signalcut_model_0.cif
> /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_j2_signalcut_model_0.cif
> /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_j3_signalcut_model_0.cif

Chain information for fold_gp_1_signalcut_model_0.cif #1  
---  
Chain | Description  
A | .  
  
Chain information for fold_gp_2_signalcut_model_0.cif #2  
---  
Chain | Description  
A | .  
  
Chain information for fold_j1_signalcut_model_0.cif #3  
---  
Chain | Description  
A | .  
  
Chain information for fold_j2_signalcut_model_0.cif #4  
---  
Chain | Description  
A | .  
  
Chain information for fold_j3_signalcut_model_0.cif #5  
---  
Chain | Description  
A | .  
  
Computing secondary structure  

> mmaker #1 to #2

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_gp_1_signalcut_model_0.cif, chain A (#1), sequence alignment score =
2170.8  
RMSD between 327 pruned atom pairs is 0.275 angstroms; (across all 487 pairs:
8.106)  
  

> mmaker #3 to #2

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j1_signalcut_model_0.cif, chain A (#3), sequence alignment score = 531.8  
RMSD between 4 pruned atom pairs is 0.514 angstroms; (across all 334 pairs:
19.942)  
  

> mmaker #4 to #2

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j2_signalcut_model_0.cif, chain A (#4), sequence alignment score = 2129.9  
RMSD between 323 pruned atom pairs is 0.256 angstroms; (across all 487 pairs:
12.630)  
  

> mmaker #5 to #2

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j3_signalcut_model_0.cif, chain A (#5), sequence alignment score = 568.6  
RMSD between 72 pruned atom pairs is 0.597 angstroms; (across all 335 pairs:
25.274)  
  

> hide #1 models

> hide #3 models

> hide #4 models

> hide #5 models

> mlp #2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> select #2 : 20,105,140

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

> show #1 models

> mlp sel

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> hide #1 models

> show #1 models

> hide #!2 models

> hide #1 models

> show #!2 models

> mlp sel

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> select add #2

3517 atoms, 3596 bonds, 487 residues, 2 models selected  

> mlp sel

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> select subtract #2

1 model selected  

> select #2 : 20,105,140

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

> set bgColor white

> set bgColor black

> save /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/5strains.cxs

> show #1 models

> hide #!2 models

> select add #2

3517 atoms, 3596 bonds, 487 residues, 2 models selected  

> select add #1

7077 atoms, 7236 bonds, 975 residues, 3 models selected  

> select subtract #2

3560 atoms, 3640 bonds, 488 residues, 2 models selected  

> mlp sel

Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -28.97, mean -7.263, maximum 24.92  
To also show corresponding color key, enter the above mlp command and add key
true  

> select #2 : 20,105,140

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

> select #2 : 20,105,140

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

> select #1 : 20,105,140

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

> select add #1

3560 atoms, 3640 bonds, 488 residues, 2 models selected  

> select subtract #1

1 model selected  

> hide #!1 models

> show #4 models

> mlp #4

Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-29.06, mean -7.334, maximum 23.95  
To also show corresponding color key, enter the above mlp command and add key
true  

> select #1 : 20,105,140

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

> select #4 : 20,105,140

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

> show #3 models

> hide #!4 models

> select add #4

3556 atoms, 3636 bonds, 488 residues, 2 models selected  

> mlp #3

Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.93, mean -6.652, maximum 22.08  
To also show corresponding color key, enter the above mlp command and add key
true  

> select #3 : 140,212,271

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

> select add #3

3385 atoms, 3470 bonds, 471 residues, 2 models selected  

> select subtract #3

1 model selected  

> hide #!3 models

> show #5 models

> mlp #5

Map values for surface "fold_j3_signalcut_model_0.cif_A SES surface": minimum
-29.92, mean -6.99, maximum 21.26  
To also show corresponding color key, enter the above mlp command and add key
true  

> select #5 : 140,215,274

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

> hide #!5 models

> show #!4 models

> hide #!4 models

> show #!3 models

> hide #!3 models

> show #!2 models

> view

> show #!1 models

> show #!3 models

> hide #!2 models

> hide #!3 models

> view

> hide #!1 models

> show #!2 models

> view

> ui mousemode right distance

> sequence chain #5/A

Alignment identifier is 5/A  

> ui mousemode #2 : 468 to 438

> mousemode #2 : 468 to 438

Expected a keyword  

> ui mousemode #2 : 468 438

> mousemode #2 : 468 438

Expected a keyword  

> distance #2/A:468@CE2 #2/A:468@CZ

Distance between fold_gp_2_signalcut_model_0.cif #2/A PHE 468 CE2 and CZ:
1.407Å  

> distance #2/A:438@CZ #2/A:468@CZ

Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 438 CZ and PHE 468
CZ: 11.381Å  

> distance #2/A:465@CZ3 #2/A:438@CZ

Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CZ3 and TYR 438
CZ: 6.446Å  

> distance #2/A:465@CH2 #2/A:438@CZ

Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CH2 and TYR 438
CZ: 5.405Å  

> view

> distance #2/A:465@CZ3 #2/A:438@CE1

Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CZ3 and TYR 438
CE1: 7.489Å  

> distance #2/A:465@CE3 #2/A:467@CG1

Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CE3 and VAL 467
CG1: 8.815Å  

> distance #2/A:465@CE3 #2/A:438@CG

Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CE3 and TYR 438
CG: 6.201Å  

> coulombic #!2

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for fold_gp_2_signalcut_model_0.cif_A SES surface #2.1:
minimum, -10.97, mean -0.67, maximum 10.78  
To also show corresponding color key, enter the above coulombic command and
add key true  

> rainbow #!2

> color #!2 bypolymer

> color #!2 bychain

> color #!2 byhetero

> color bfactor #!2

3517 atoms, 487 residues, 1 surfaces, atom bfactor range 21.7 to 98.9  

> hide #!2 surfaces

> show #!2 surfaces

> color bfactor #!2

3517 atoms, 487 residues, 1 surfaces, atom bfactor range 21.7 to 98.9  

> color bfactor #!2

3517 atoms, 487 residues, 1 surfaces, atom bfactor range 21.7 to 98.9  

> mlp #!2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> hide #!2 surfaces

> mlp #!2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> hide #!2 surfaces

> show #!2 atoms

> ui mousemode right "delete markers"

> select add #5

3358 atoms, 3442 bonds, 462 residues, 2 models selected  

> select subtract #5

1 model selected  

> select add #6

7 pseudobonds, 2 models selected  

> close #6

> mlp #!2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> hide #!2 surfaces

> mlp #!2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> ui mousemode right distance

> distance #2/A:468@CZ #2/A:438@CE1

Distance between fold_gp_2_signalcut_model_0.cif #2/A PHE 468 CZ and TYR 438
CE1: 10.969Å  

> distance #2/A:438@CE1 #2/A:465@CZ3

Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 438 CE1 and TRP 465
CZ3: 7.489Å  

> hide #!2 surfaces

> select add #6

2 pseudobonds, 2 models selected  

> hide #!2 models

> close #2

> hide #6 models

> close #6

> close session

> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/GP-2-cut.cxs format session

> view name session-start

opened ChimeraX session  

> mlp

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> hide surfaces

> mlp

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> ui mousemode right distance

> distance #!1/A:465@CZ3 #!1/A:438@CZ

Distance between fold_gp_2_signalcut_model_0.cif #!1/A TRP 465 CZ3 and TYR 438
CZ: 6.446Å  

> hide #!1 models

> select add #2

2 pseudobonds, 2 models selected  

> close #1

> close

> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/5strains.cxs format session

> view name session-start

opened ChimeraX session  

> ui mousemode right "play map series"

> ui mousemode right "map eraser"

> select add #6

24 atoms, 22 bonds, 3 residues, 2 models selected  

> select add #2

3517 atoms, 3596 bonds, 487 residues, 2 models selected  

> select subtract #2

2 models selected  

> hide #!2 models

> close

> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/5strains.cxs format session

> view name session-start

opened ChimeraX session  

> select add #1

3584 atoms, 3662 bonds, 491 residues, 2 models selected  

> show #1 models

> select subtract #1

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

> mlp sel

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> mlp sel

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> select add #1

3584 atoms, 3662 bonds, 491 residues, 2 models selected  

> select add #2

7077 atoms, 7236 bonds, 975 residues, 2 models selected  

> mlp sel

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -28.97, mean -7.263, maximum 24.92  
To also show corresponding color key, enter the above mlp command and add key
true  

> sequence chain #1/A

Alignment identifier is 1/A  

> sequence chain #2/A

Alignment identifier is 2/A  

> select subtract #1

3517 atoms, 3596 bonds, 487 residues, 3 models selected  

> select subtract #2

1 model selected  

> mmaker #1 : 470 to #2 : 469

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_gp_1_signalcut_model_0.cif, chain A (#1), sequence alignment score = 0.5  
Fewer than 3 residues aligned; cannot match fold_gp_2_signalcut_model_0.cif,
chain A with fold_gp_1_signalcut_model_0.cif, chain A  

> mmaker #1 : 438-488 to #2 : 437-487

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_gp_1_signalcut_model_0.cif, chain A (#1), sequence alignment score =
263.7  
RMSD between 51 pruned atom pairs is 0.107 angstroms; (across all 51 pairs:
0.107)  
  

> view

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> color bfactor #!1

3560 atoms, 488 residues, 1 surfaces, atom bfactor range 18.6 to 98.9  

> show #!2 models

> color bfactor #!1-2

7077 atoms, 975 residues, 2 surfaces, atom bfactor range 18.6 to 98.9  

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> show #!1 models

> view

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> mlp #!1-2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25  
To also show corresponding color key, enter the above mlp command and add key
true  

> color bfactor #!1-2

7077 atoms, 975 residues, 2 surfaces, atom bfactor range 18.6 to 98.9  

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> mlp #!1-2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25  
To also show corresponding color key, enter the above mlp command and add key
true  

> view orient

> color bfactor #!1-2

7077 atoms, 975 residues, 2 surfaces, atom bfactor range 18.6 to 98.9  

> mlp #!1-2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25  
To also show corresponding color key, enter the above mlp command and add key
true  

> hide #!1 models

> show #!1 models

> show #3 models

> mmaker #3 : 438-488 to #2 : 437-487

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j1_signalcut_model_0.cif, chain A (#3), sequence alignment score = 123.3  
RMSD between 31 pruned atom pairs is 0.297 angstroms; (across all 34 pairs:
1.703)  
  

> mlp #3#!1-2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-29.02, mean -6.647, maximum 21.51  
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25  
To also show corresponding color key, enter the above mlp command and add key
true  

> sequence chain #1/A

Destroying pre-existing alignment with identifier 1/A  
Alignment identifier is 1/A  

> sequence chain #2/A

Destroying pre-existing alignment with identifier 2/A  
Alignment identifier is 2/A  

> sequence chain #3/A

Alignment identifier is 3/A  

> sequence chain #4/A

Alignment identifier is 4/A  

> sequence chain #5/A

Alignment identifier is 5/A  

> mmaker #3 : 422-451 to #2 : 437-487

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j1_signalcut_model_0.cif, chain A (#3), sequence alignment score = 106.7  
RMSD between 29 pruned atom pairs is 0.292 angstroms; (across all 30 pairs:
0.656)  
  

> mmaker #4 : 438-488 to #2 : 437-487

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j2_signalcut_model_0.cif, chain A (#4), sequence alignment score = 243.3  
RMSD between 51 pruned atom pairs is 0.240 angstroms; (across all 51 pairs:
0.240)  
  

> hide #!3 models

> show #4 models

> mlp #4#!1-2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-28.64, mean -7.335, maximum 23.55  
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25  
To also show corresponding color key, enter the above mlp command and add key
true  

> select add #4

3556 atoms, 3636 bonds, 488 residues, 1 model selected  

> mlp sel

Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-28.64, mean -7.335, maximum 23.55  
To also show corresponding color key, enter the above mlp command and add key
true  

> select subtract #4

1 model selected  

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> color bfactor #!2,4

7073 atoms, 975 residues, 2 surfaces, atom bfactor range 19.5 to 98.9  

> show #!1 models

> color bfactor #!1-2,4

10633 atoms, 1463 residues, 3 surfaces, atom bfactor range 18.6 to 98.9  

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> mlp #!2,4

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-28.64, mean -7.335, maximum 23.55  
To also show corresponding color key, enter the above mlp command and add key
true  

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!1 models

> mlp #!1,4

Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-28.64, mean -7.335, maximum 23.55  
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25  
To also show corresponding color key, enter the above mlp command and add key
true  

> show #!2 models

> view

> hide #!1 models

> hide #!2 models

> hide #!4 models

> show #!3 models

> show #5 models

> mlp #5#!3

Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6  
Map values for surface "fold_j3_signalcut_model_0.cif_A SES surface": minimum
-29.92, mean -6.99, maximum 21.26  
To also show corresponding color key, enter the above mlp command and add key
true  

> mmaker #5 : 412-462 to #2 : 437-487

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 fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j3_signalcut_model_0.cif, chain A (#5), sequence alignment score = 199.9  
RMSD between 48 pruned atom pairs is 0.326 angstroms; (across all 51 pairs:
1.314)  
  

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> interfaces #!3 & ~solvent

0 buried areas:  

> hide #!3 models

> show #!2 models

> interfaces #!2 & ~solvent

0 buried areas:  

> select add #2

3517 atoms, 3596 bonds, 487 residues, 1 model selected  

> interfaces select & ~solvent

Missing or invalid "atoms" argument: invalid atoms specifier  

> select subtract #2

1 model selected  

> ui mousemode right "tape measure"

> view orient

> select #2/A:274@ND2

1 atom, 1 residue, 1 model selected  

> select #2/A:137@CA

1 atom, 1 residue, 1 model selected  

> select add #2/A:274@ND2

2 atoms, 2 residues, 2 models selected  

> ui mousemode right "tape measure"

> segmentations mouseModes true

> ui mousemode shift wheel 'resize segmentation cursor'

> ui mousemode right 'create segmentations'

> ui mousemode shift right 'erase segmentations'

> ui mousemode shift middle 'move segmentation cursor'

> select #2/A:137@CA

1 atom, 1 residue, 1 model selected  

> select add #2/A:274@ND2

2 atoms, 2 residues, 2 models selected  

> ui mousemode right distance

> select add #2

3517 atoms, 3596 bonds, 487 residues, 2 models selected  

> select subtract #2

1 model selected  

> select #2/A:137@CA

1 atom, 1 residue, 1 model selected  

> select add #2/A:274@ND2

2 atoms, 2 residues, 2 models selected  

> ui mousemode right distance

> hide sel surfaces

> select add #2

3517 atoms, 3596 bonds, 487 residues, 2 models selected  

> hide sel surfaces

> mlp sel

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> ui mousemode right distance

> select subtract #2

1 model selected  

> select #2/A:137@CA

1 atom, 1 residue, 1 model selected  

> select #2/A:274@ND2

1 atom, 1 residue, 1 model selected  

> select add #2/A:137@CA

2 atoms, 2 residues, 2 models selected  

> distance

Missing or invalid "objects" argument: empty atom specifier  

> ui mousemode right distance

> hide #!2 models

> hide #2.1 models

> show #2.1 models

> hide #!2 models

> show #!2 models

> select add #2

3517 atoms, 3596 bonds, 487 residues, 2 models selected  

> select subtract #2

1 model selected  

> select add #2.1

3517 atoms, 487 residues, 1 model selected  

> close #2.1

> select add #2

3517 atoms, 3596 bonds, 487 residues, 1 model selected  

> mlp sel

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> select subtract #2.1

1 model selected  

> select #2/A:106@CD2

1 atom, 1 residue, 1 model selected  

> select #2/A:156@OG

1 atom, 1 residue, 1 model selected  

> distance #2/A:106@CD2 #2/A:156@OG

Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 106 CD2 and SER 156
OG: 10.486Å  

> select #2/A:137@CA

1 atom, 1 residue, 1 model selected  

> select #2/A:283@CA

1 atom, 1 residue, 1 model selected  

> select #2/A:282@O

1 atom, 1 residue, 1 model selected  

> distance #2/A:137@CA #2/A:282@O

Distance between fold_gp_2_signalcut_model_0.cif #2/A GLY 137 CA and SER 282
O: 33.320Å  

> select #2/A:157@CB

1 atom, 1 residue, 1 model selected  

> select #2/A:161@CE1

1 atom, 1 residue, 1 model selected  

> select #2/A:283@CB

1 atom, 1 residue, 1 model selected  

> distance #2/A:161@CE1 #2/A:283@CB

Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 161 CE1 and LEU 283
CB: 18.328Å  

> close #6

> distance #2/A:137@CA #2/A:157@O

Distance between fold_gp_2_signalcut_model_0.cif #2/A GLY 137 CA and SER 157
O: 13.652Å  

> select add #2

3517 atoms, 3596 bonds, 1 pseudobond, 487 residues, 3 models selected  

> select subtract #2

1 model selected  

> select add #6

1 pseudobond, 2 models selected  

> close #6

> distance #2/A:283@CB #2/A:161@CE1

Distance between fold_gp_2_signalcut_model_0.cif #2/A LEU 283 CB and TYR 161
CE1: 18.328Å  

> distance #2/A:161@CE1 #2/A:283@CD2

Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 161 CE1 and LEU 283
CD2: 18.371Å  

> distance #2/A:157@O #2/A:283@CA

Distance between fold_gp_2_signalcut_model_0.cif #2/A SER 157 O and LEU 283
CA: 20.938Å  

> show #!1 models

> hide #!1 models

> show #!4 models

> hide #!4 models

> show #!1 models

> hide #!1 models

> color bfactor #!2

3517 atoms, 487 residues, 1 surfaces, atom bfactor range 21.7 to 98.9  

> mlp #!2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> show #!1 models

> hide #!2 models

> hide #2.1 models

> view

> select #1/A:157@CB

1 atom, 1 residue, 1 model selected  

> select #1/A:283@CA

1 atom, 1 residue, 1 model selected  

> select #1/A:157@CB

1 atom, 1 residue, 1 model selected  

> select add #1/A:283@CA

2 atoms, 2 residues, 2 models selected  

> distance #1/A:157@CB #1/A:283@CA

Distance between fold_gp_1_signalcut_model_0.cif #1/A SER 157 CB and LEU 283
CA: 21.621Å  

> select #1/A:161@CE1

1 atom, 1 residue, 1 model selected  

> distance #1/A:157@O #1/A:283@CB

Distance between fold_gp_1_signalcut_model_0.cif #1/A SER 157 O and LEU 283
CB: 20.168Å  

> hide #!1 models

> show #!4 models

> view

> select #4/A:157@CB

1 atom, 1 residue, 1 model selected  

> select #4/A:283@CB

1 atom, 1 residue, 1 model selected  

> select #4/A:157@CB

1 atom, 1 residue, 1 model selected  

> select add #4/A:284@N

2 atoms, 2 residues, 2 models selected  

> distance #4/A:157@CB #4/A:284@N

Distance between fold_j2_signalcut_model_0.cif #4/A SER 157 CB and ALA 284 N:
21.189Å  

> select #4/A:161@CE1

1 atom, 1 residue, 1 model selected  

> select add #4/A:284@N

2 atoms, 2 residues, 2 models selected  

> distance #4/A:284@N #4/A:161@CE1

Distance between fold_j2_signalcut_model_0.cif #4/A ALA 284 N and TYR 161 CE1:
18.630Å  

> select #4/A:161@CE1

1 atom, 1 residue, 1 model selected  

> select #4/A:284@N

1 atom, 1 residue, 1 model selected  

> select add #4/A:161@CE1

2 atoms, 2 residues, 2 models selected  

> select #4/A:161@OH

1 atom, 1 residue, 1 model selected  

> select #4/A:283@CD2

1 atom, 1 residue, 1 model selected  

> distance #4/A:284@N #4/A:161@OH

Distance between fold_j2_signalcut_model_0.cif #4/A ALA 284 N and TYR 161 OH:
16.996Å  

> select #4/A:161@CE1

1 atom, 1 residue, 1 model selected  

> distance #4/A:283@CB #4/A:284@N

Distance between fold_j2_signalcut_model_0.cif #4/A LEU 283 CB and ALA 284 N:
3.272Å  

> select #4/A:283@CB

1 atom, 1 residue, 1 model selected  

> distance #4/A:161@CE1 #4/A:283@CB

Distance between fold_j2_signalcut_model_0.cif #4/A TYR 161 CE1 and LEU 283
CB: 18.481Å  

> distance #4/A:287@ND2 #4/A:60@CE

Distance between fold_j2_signalcut_model_0.cif #4/A ASN 287 ND2 and MET 60 CE:
7.999Å  

> distance #4/A:236@NE2 #4/A:107@CG2

Distance between fold_j2_signalcut_model_0.cif #4/A GLN 236 NE2 and THR 107
CG2: 8.538Å  

> hide #!4 models

> show #!5 models

> distance #5/A:287@OH #5/A:173@CZ3

Distance between fold_j3_signalcut_model_0.cif #5/A TYR 287 OH and TRP 173
CZ3: 15.036Å  

> distance #5/A:287@OH #5/A:172@CB

Distance between fold_j3_signalcut_model_0.cif #5/A TYR 287 OH and ARG 172 CB:
14.231Å  

> hide #!5 models

> show #!3 models

> sequence chain #4/A

Alignment identifier is 4/A  

> select
> #4/A:20-32,50-53,56-59,67-82,89-94,110-122,127-129,169-178,190-192,199-201,218-221,239-249,252-258,306-320,438-443

884 atoms, 884 bonds, 118 residues, 1 model selected  

> select #3 : 20

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

> color bfactor sel

8 atoms, 1 residues, 1 surfaces, atom bfactor range 80.8 to 91.5  

> color bfactor sel

8 atoms, 1 residues, 1 surfaces, atom bfactor range 80.8 to 91.5  

> sequence chain #3/A

Alignment identifier is 3/A  

> select #3 : 140

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

> color bfactor sel

6 atoms, 1 residues, 1 surfaces, atom bfactor range 91.1 to 95.3  

> select add #3

3385 atoms, 3470 bonds, 471 residues, 2 models selected  

> mlp sel

Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6  
To also show corresponding color key, enter the above mlp command and add key
true  

> view

> distance #3/A:172@CB #3/A:284@OH

Distance between fold_j1_signalcut_model_0.cif #3/A THR 172 CB and TYR 284 OH:
14.607Å  

> select #3 : 140

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

> style sel stick

Changed 6 atom styles  

> style sel stick

Changed 6 atom styles  

> color bfactor sel

6 atoms, 1 residues, 1 surfaces, atom bfactor range 91.1 to 95.3  

> mlp sel

Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6  
To also show corresponding color key, enter the above mlp command and add key
true  

> mlp sel

Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6  
To also show corresponding color key, enter the above mlp command and add key
true  

> mlp sel

Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6  
To also show corresponding color key, enter the above mlp command and add key
true  

> color bfactor sel

6 atoms, 1 residues, 1 surfaces, atom bfactor range 91.1 to 95.3  

> hide sel surfaces

> show #!2 models

> hide #!3 models

> mlp #!2

Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15  
To also show corresponding color key, enter the above mlp command and add key
true  

> view


===== Log before crash end =====

Log:
UCSF ChimeraX version: 1.11 (2025-12-17)  
© 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 M1 Max
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: Mac Studio
      Model Identifier: Mac13,1
      Model Number: Z14J000HDJ/A
      Chip: Apple M1 Max
      Total Number of Cores: 10 (8 performance and 2 efficiency)
      Memory: 64 GB
      System Firmware Version: 13822.61.10
      OS Loader Version: 13822.61.10

Software:

    System Software Overview:

      System Version: macOS 26.2 (25C56)
      Kernel Version: Darwin 25.2.0
      Time since boot: 4日 6時間 20分

Graphics/Displays:

    Apple M1 Max:

      Chipset Model: Apple M1 Max
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 32
      Vendor: Apple (0x106b)
      Metal Support: Metal 4
      Displays:
        EV3240X:
          Resolution: 5120 x 2880 (5K/UHD+ - Ultra High Definition Plus)
          UI Looks like: 2560 x 1440 @ 60.00Hz
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported


Installed Packages:
    aiohappyeyeballs: 2.6.1
    aiohttp: 3.13.1
    aiosignal: 1.4.0
    alabaster: 1.0.0
    annotated-types: 0.7.0
    anyio: 4.12.0
    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
    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: 2.7.11
    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: 7.13.0
    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: 4.25.1
    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: 3.2.5
    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
    pytz: 2025.2
    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: 4.0.0
    roman-numerals-py: 4.0.0
    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
    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: 3.0.4
    stack-data: 0.6.3
    starlette: 0.50.0
    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
    tzdata: 2025.3
    urllib3: 2.6.2
    uvicorn: 0.38.0
    wcwidth: 0.2.14
    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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