﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
16194	Crash rendering QToolButton icon: QPainter::begin: Paint device returned engine == 0, type: 2	chimerax-bug-report@…	Tom Goddard	"{{{
The following bug report has been submitted:
Platform:        macOS-14.6.1-x86_64-i386-64bit
ChimeraX Version: 1.9.dev202407040137 (2024-07-04 01:37:03 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Current thread 0x00007ff84f230dc0 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 323 in event_loop
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1030 in init
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1193 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.surface._surface, chimerax.map._map, charset_normalizer.md, requests.packages.charset_normalizer.md, requests.packages.chardet.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.pdb_lib._load_libs, 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, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, scipy._lib._ccallback_c, scipy.linalg._fblas, scipy.linalg._flapack, scipy.linalg.cython_lapack, scipy.linalg._cythonized_array_utils, scipy.linalg._solve_toeplitz, scipy.linalg._decomp_lu_cython, scipy.linalg._matfuncs_sqrtm_triu, scipy.linalg.cython_blas, scipy.linalg._matfuncs_expm, scipy.linalg._decomp_update, scipy.sparse._sparsetools, _csparsetools, scipy.sparse._csparsetools, scipy.sparse.linalg._dsolve._superlu, scipy.sparse.linalg._eigen.arpack._arpack, scipy.sparse.linalg._propack._spropack, scipy.sparse.linalg._propack._dpropack, scipy.sparse.linalg._propack._cpropack, scipy.sparse.linalg._propack._zpropack, scipy.sparse.csgraph._tools, scipy.sparse.csgraph._shortest_path, scipy.sparse.csgraph._traversal, scipy.sparse.csgraph._min_spanning_tree, scipy.sparse.csgraph._flow, scipy.sparse.csgraph._matching, scipy.sparse.csgraph._reordering, scipy.optimize._minpack2, scipy.optimize._group_columns, scipy._lib.messagestream, scipy.optimize._trlib._trlib, scipy.optimize._lbfgsb, _moduleTNC, scipy.optimize._moduleTNC, scipy.optimize._cobyla, scipy.optimize._slsqp, scipy.optimize._minpack, scipy.optimize._lsq.givens_elimination, scipy.optimize._zeros, scipy.optimize._highs.cython.src._highs_wrapper, scipy.optimize._highs._highs_wrapper, scipy.optimize._highs.cython.src._highs_constants, scipy.optimize._highs._highs_constants, scipy.linalg._interpolative, scipy.optimize._bglu_dense, scipy.optimize._lsap, scipy.spatial._ckdtree, scipy.spatial._qhull, scipy.spatial._voronoi, scipy.spatial._distance_wrap, scipy.spatial._hausdorff, scipy.special._ufuncs_cxx, scipy.special._cdflib, scipy.special._ufuncs, scipy.special._specfun, scipy.special._comb, scipy.special._ellip_harm_2, scipy.spatial.transform._rotation, scipy.optimize._direct, PIL._imagingmath (total: 123)


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  ""procRole"" : ""Background"",
  ""version"" : 2,
  ""userID"" : 501,
  ""deployVersion"" : 210,
  ""modelCode"" : ""MacBookPro15,1"",
  ""coalitionID"" : 15246,
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  ""captureTime"" : ""2024-10-25 11:02:37.1712 -0700"",
  ""codeSigningMonitor"" : 0,
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  ""cpuType"" : ""X86-64"",
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  ""procLaunch"" : ""2024-10-14 18:43:38.6735 -0700"",
  ""procStartAbsTime"" : 168368296469559,
  ""procExitAbsTime"" : 412089773645295,
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  ""procPath"" : ""\/Applications\/ChimeraX_Daily.app\/Contents\/MacOS\/ChimeraX"",
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  ""parentPid"" : 1,
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  ""crashReporterKey"" : ""F61753C3-C3EF-C2A7-AE02-99293A3B58AC"",
  ""codeSigningID"" : ""edu.ucsf.cgl.ChimeraX"",
  ""codeSigningTeamID"" : ""LWV8X224YF"",
  ""codeSigningFlags"" : 570491649,
  ""codeSigningValidationCategory"" : 6,
  ""codeSigningTrustLevel"" : 4294967295,
  ""wakeTime"" : 11,
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  ""sleepWakeUUID"" : ""CB8257D3-99A9-4A9B-BF07-1479BECEA407"",
  ""sip"" : ""enabled"",
  ""vmRegionInfo"" : ""0x18 is not in any region.  Bytes before following region: 4351971304\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      __TEXT                      10365d000-103661000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX_Daily.app\/Contents\/MacOS\/ChimeraX"",
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  ""termination"" : {""flags"":0,""code"":11,""namespace"":""SIGNAL"",""indicator"":""Segmentation fault: 11"",""byProc"":""ChimeraX"",""byPid"":4347},
  ""vmregioninfo"" : ""0x18 is not in any region.  Bytes before following region: 4351971304\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      __TEXT                      10365d000-103661000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX_Daily.app\/Contents\/MacOS\/ChimeraX"",
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  ""faultingThread"" : 0,
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===== Log before crash start =====
UCSF ChimeraX version: 1.9.dev202407040137 (2024-07-04)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v0.cxs""

Log from Mon Oct 14 18:43:18 2024 Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
You can double click a model's Name or ID in the model panel to edit those
fields  
UCSF ChimeraX version: 1.9.dev202407040137 (2024-07-04)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/Alphafold_prediction/PumNav14_with_template_hNav14_9fa5e/PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb""

Chain information for
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb
#1  
---  
Chain | Description  
A | No description available  
  

> color bfactor #1 palette alphafold

14707 atoms, 1843 residues, atom bfactor range 20.8 to 95.3  

> open 8T6L

8t6l title:  
Cryo-EM structure of rat cardiac sodium channel NaV1.5 with batrachotoxin
analog BTX-B [more info...]  
  
Chain information for 8t6l #2  
---  
Chain | Description | UniProt  
A | Sodium channel protein type 5 subunit alpha,Green fluorescent protein | SCN5A_RAT 1-1931, GFP_AEQVI 1946-2182  
  
Non-standard residues in 8t6l #2  
---  
9Z9 —
(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en  
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)  
LBN — 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
((2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl
2-(trimethylammonio)ethyl phosphate)  
MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose)  
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)  
Y01 — cholesterol hemisuccinate  
YIJ —
(1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl
benzoate  
  
8 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> ui mousemode right select

> select add #2

10980 atoms, 11288 bonds, 4 pseudobonds, 1279 residues, 3 models selected  
Drag select of 85 atoms, 151 residues, 82 bonds  

> select add #2

10980 atoms, 11288 bonds, 4 pseudobonds, 1279 residues, 3 models selected  
Drag select of 102 atoms, 107 residues, 93 bonds  

> select add #2

10980 atoms, 11288 bonds, 4 pseudobonds, 1279 residues, 3 models selected  

> ui mousemode right select

> ui mousemode right ""move picked models""

> ui mousemode right ""translate selected models""

> view matrix models #2,1,0,0,-43.553,0,1,0,-34.438,0,0,1,-57.686

> view matrix models #2,1,0,0,-88.86,0,1,0,-73.528,0,0,1,-120.38

> view matrix models #2,1,0,0,-65.567,0,1,0,-64.765,0,0,1,-104.5

> select subtract #2

Nothing selected  

> matchmaker #2 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
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb,
chain A (#1) with 8t6l, chain A (#2), sequence alignment score = 5749.2  
RMSD between 1090 pruned atom pairs is 0.896 angstroms; (across all 1236
pairs: 3.532)  
  

> hide #1 models

> ui mousemode right select

Drag select of 3 bonds  
Drag select of 25 atoms, 18 residues, 26 bonds  

> select #2/A:3012@C4

1 atom, 1 residue, 1 model selected  

> select #2/A:3012@C32

1 atom, 1 residue, 1 model selected  

> select clear

Drag select of 4 atoms, 3 bonds  
Drag select of 4 atoms, 4 bonds  

> select #2/A:3012@C4

1 atom, 1 residue, 1 model selected  
Drag select of 4 atoms, 3 bonds  

> hide #!2 target m

[Repeated 1 time(s)]

> show #!2 target m

> hide sel target a

Drag select of 4 atoms, 4 bonds  

> select #2/A:3012@C32

1 atom, 1 residue, 1 model selected  

> select add #2/A:3012@C28

1 atom, 1 bond, 1 residue, 1 model selected  

> select clear

> select #2/A:3012@C32

1 atom, 1 residue, 1 model selected  

> select #2/A:3012@C28

1 atom, 1 residue, 1 model selected  

> select #2/A:3012@C32

1 atom, 1 residue, 1 model selected  

> select add #2/A:3012@C28

2 atoms, 1 residue, 1 model selected  

> select clear

> select #2/A:3012@C30

1 atom, 1 residue, 1 model selected  

> select add #2/A:3012@C12

1 atom, 15 bonds, 1 residue, 1 model selected  

> hide sel target ab

> undo

> surface hidePatches sel

> undo

> hide sel target ab

> select #2/A:3012@C30

1 atom, 1 residue, 1 model selected  

> select add #2/A:3012@C29

2 atoms, 1 residue, 1 model selected  

> select add #2/A:3012@C32

3 atoms, 1 residue, 1 model selected  
Drag select of 7 atoms, 1 residues  
Drag select of 5 atoms  

> select clear

> select #2/A:3012@C26

1 atom, 1 residue, 1 model selected  

> select add #2/A:3012@O6

2 atoms, 1 residue, 1 model selected  

> select #2/A:3012@C28

1 atom, 1 residue, 1 model selected  
Drag select of 6 atoms  

> hide sel target a

> select #2/A:3012@C30

1 atom, 1 residue, 1 model selected  

> select add #2/A:3012@C32

2 atoms, 1 residue, 1 model selected  

> select add #2/A:3012@C29

3 atoms, 1 residue, 1 model selected  

> select add #2/A:3012@O5

4 atoms, 1 residue, 1 model selected  

> select add #2/A:3012@C3

5 atoms, 1 residue, 1 model selected  

> select add #2/A:3012@O3

6 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:3012@P1

7 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:3012@C2

8 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #2/A:3012@O2

9 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #2/A:3012@O8

10 atoms, 6 bonds, 1 residue, 1 model selected  

> select add #2/A:3012@C6

11 atoms, 6 bonds, 1 residue, 1 model selected  

> select add #2/A:3012@C15

12 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel target ab

Drag select of 4 atoms, 4 residues, 1 pseudobonds  

> select #2/A:3012@O4

1 atom, 1 residue, 1 model selected  

> select add #2/A:3012@C9

2 atoms, 1 residue, 1 model selected  

> select add #2/A:3012@N1

3 atoms, 1 residue, 1 model selected  

> select add #2/A:3012@C18

4 atoms, 1 residue, 1 model selected  

> hide sel target a

> select #2/A:3012@O7

1 atom, 1 residue, 1 model selected  

> select add #2/A:3012@O1

2 atoms, 1 residue, 1 model selected  

> select add #2/A:3012@C1

3 atoms, 1 residue, 1 model selected  

> hide

> undo

Drag select of 207 atoms, 43 residues, 204 bonds  

> hide sel target a

Drag select of 11 atoms, 51 residues, 5 bonds  

> hide sel target a

> show #1 models

> hide #1 models

Drag select of 143 atoms, 86 residues, 140 bonds  

> hide sel target a

Drag select of 23 atoms, 26 residues, 24 bonds  
Drag select of 25 atoms, 33 residues, 24 bonds  

> hide sel target a

Drag select of 41 atoms, 23 residues, 39 bonds  

> hide sel target a

> select #2/A:136@SD

1 atom, 1 residue, 1 model selected  

> hide sel target a

Drag select of 40 atoms, 43 residues, 40 bonds  

> hide sel target a

Drag select of 2 atoms  

> hide sel target a

> save ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v1.pdb"" models #2
> displayedOnly true

Drag select of 2 atoms, 10 residues, 2 bonds  
Drag select of 57 atoms, 56 residues, 60 bonds  

> select clear

Drag select of 41 atoms, 38 residues, 41 bonds  
Drag select of 76 atoms, 85 residues, 78 bonds  
Drag select of 110 atoms, 125 residues, 111 bonds  

> hide sel target a

Drag select of 4 atoms, 2 residues, 2 bonds  

> hide sel target a

Drag select of 4 atoms, 7 residues, 3 bonds  
Drag select of 29 atoms, 44 residues, 26 bonds  

> hide sel target a

Drag select of 6 atoms, 3 residues, 5 bonds  

> hide sel target a

Drag select of 38 atoms, 7 residues, 37 bonds  

> hide sel target a

Drag select of 3 atoms, 8 residues, 4 bonds  

> hide sel target a

Drag select of 30 atoms, 11 residues, 34 bonds  

> hide sel target a

Drag select of 1 atoms  

> hide sel target a

Drag select of 3 atoms  

> hide sel target a

Drag select of 14 atoms, 2 residues, 13 bonds  

> hide sel target a

Drag select of 57 atoms, 55 residues, 58 bonds  

> hide sel target a

Drag select of 5 atoms, 15 residues, 4 bonds  

> hide sel target a

Drag select of 8 atoms, 4 residues, 8 bonds  

> hide sel target a

Drag select of 19 atoms, 28 residues, 18 bonds  

> hide sel target a

> select #2/A:3010@O8

1 atom, 1 residue, 1 model selected  

> hide sel target a

Drag select of 12 atoms, 13 residues, 12 bonds  

> hide sel target a

Drag select of 17 atoms, 7 residues, 16 bonds  

> hide sel target a

Drag select of 35 atoms, 11 residues, 38 bonds  

> hide sel target a

Drag select of 31 atoms, 34 bonds  

> hide sel target a

Drag select of 66 atoms, 10 residues, 70 bonds  

> hide sel target a

Drag select of 12 atoms, 8 residues, 10 bonds  

> hide sel target a

Drag select of 4 atoms, 2 residues, 2 bonds  

> select add #2/A:3011@C22

21 atoms, 4 bonds, 3 residues, 1 model selected  

> select subtract #2/A:3011@C20

20 atoms, 3 bonds, 3 residues, 1 model selected  

> select add #2/A:3011@C20

21 atoms, 3 bonds, 3 residues, 1 model selected  

> select add #2/A:3011@C36

22 atoms, 4 bonds, 3 residues, 1 model selected  

> hide sel target ab

> select clear

> select #2/A:3011@C37

1 atom, 1 residue, 1 model selected  

> select add #2/A:3011@C8

2 atoms, 1 residue, 1 model selected  

> select add #2/A:3011@C14

3 atoms, 1 residue, 1 model selected  

> select add #2/A:3011@C17

4 atoms, 1 residue, 1 model selected  

> hide sel target a

Drag select of 35 atoms, 12 residues, 38 bonds  

> hide sel target a

Drag select of 31 atoms, 5 residues, 34 bonds  

> hide sel target a

Drag select of 15 atoms, 1 residues, 13 bonds  

> hide sel target a

Drag select of 14 atoms, 2 residues, 14 bonds  

> hide sel target a

Drag select of 10 atoms, 2 residues, 9 bonds  

> hide sel target a

Drag select of 17 atoms, 5 residues, 16 bonds  

> hide sel target a

Drag select of 33 atoms, 8 residues, 38 bonds  

> hide sel target a

> select #2/A:3023@CAD

1 atom, 1 residue, 1 model selected  

> select add #2/A:3023@CAE

2 atoms, 1 residue, 1 model selected  

> hide sel target a

Drag select of 130 atoms, 65 residues, 141 bonds  

> hide sel target a

Drag select of 5 atoms, 9 residues, 4 bonds  

> hide sel target a

Drag select of 5 atoms, 8 residues, 4 bonds  

> hide sel target a

Drag select of 4 atoms, 6 residues, 3 bonds  

> hide sel target a

Drag select of 12 atoms, 8 residues, 13 bonds  

> hide sel target a

Drag select of 5 atoms, 7 residues, 4 bonds  

> hide sel target a

> hide sel target b

> select #2/A:899@SG

1 atom, 1 residue, 1 model selected  

> select add #2/A:899@CB

2 atoms, 1 residue, 1 model selected  

> hide sel target a

> select add #2/A:1420@CD1

1 atom, 8 bonds, 1 residue, 1 model selected  

> select add #2/A:1420@CZ

2 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #2/A:1420@CE2

3 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #2/A:1420@CD2

4 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #2/A:1420@CG

5 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel target ab

> select #2/A:1420@CE1

1 atom, 1 residue, 1 model selected  

> select add #2/A:1420@CB

2 atoms, 1 residue, 1 model selected  

> hide sel target a

> select add #2/A:1464@CB

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:1464@CG

2 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:1464@CD2

3 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:1464@CD1

4 atoms, 4 bonds, 1 residue, 1 model selected  

> hide sel target a

> select add #2/A:1347@CH2

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:1347@CZ3

2 atoms, 1 bond, 1 residue, 1 model selected  

> select add #2/A:1347@CE3

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:1347@CD2

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:1347@CE2

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #2/A:1347@CZ2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #2/A:1347@NE1

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #2/A:1347@CD1

8 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #2/A:1347@CG

9 atoms, 9 bonds, 1 residue, 1 model selected  

> select subtract #2/A:1347@CD2

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #2/A:1347@CD2

9 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #2/A:1347@CB

10 atoms, 11 bonds, 1 residue, 1 model selected  

> hide sel target a

> select clear

> select add #2/A:1712@CB

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:1712@OG

2 atoms, 2 bonds, 1 residue, 1 model selected  

> hide sel target a

> select #2/A:1762@CZ

1 atom, 1 residue, 1 model selected  

> select add #2/A:1762@CD1

2 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:1762@CG

3 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:1762@CE2

4 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #2/A:1762@CD2

5 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #2/A:1762@CB

6 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel target a

> select #2/A:3101@O

1 atom, 1 residue, 1 model selected  

> hide sel target a

> select add #2/A:1765@CG1

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:1765@CG2

2 atoms, 2 bonds, 1 residue, 1 model selected  

> hide sel target ab

> select #2/A:1765@CB

1 atom, 1 residue, 1 model selected  

> hide sel target a

> select add #2/A:1768@CE

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:1768@CG

2 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:1768@SD

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:1768@CB

4 atoms, 3 bonds, 1 residue, 1 model selected  

> hide sel target a

> select add #2/A:395@CE

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:395@SD

2 atoms, 1 bond, 1 residue, 1 model selected  

> select add #2/A:395@CG

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:395@CB

4 atoms, 3 bonds, 1 residue, 1 model selected  

> hide sel target a

> select add #2/A:398@CB

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:398@CG1

2 atoms, 1 bond, 1 residue, 1 model selected  

> select add #2/A:398@CD1

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:398@CG2

4 atoms, 3 bonds, 1 residue, 1 model selected  

> hide sel target a

> select add #2/A:1707@CB

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:1707@CG

2 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:1707@CZ

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:1707@CE1

4 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #2/A:1707@CD1

5 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #2/A:1707@CD2

6 atoms, 6 bonds, 1 residue, 1 model selected  

> select subtract #2/A:1707@CG

5 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #2/A:1707@CG

6 atoms, 5 bonds, 1 residue, 1 model selected  

> hide sel target a

> select #2/A:1707@CE2

1 atom, 1 residue, 1 model selected  

> hide sel target a

> select #2/A:372@OE1

1 atom, 1 residue, 1 model selected  

> select add #2/A:372@CD

2 atoms, 1 bond, 1 residue, 1 model selected  

> select add #2/A:372@NE2

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:372@CG

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:372@CB

5 atoms, 4 bonds, 1 residue, 1 model selected  

> hide sel target a

> select #2/A:854@CZ

1 atom, 1 residue, 1 model selected  

> select add #2/A:854@CE2

2 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:854@CD2

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:854@CG

4 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #2/A:854@CD1

5 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #2/A:854@CE1

6 atoms, 6 bonds, 1 residue, 1 model selected  

> select add #2/A:854@CB

7 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel target a

Drag select of 7 atoms, 5 residues, 8 bonds  

> hide sel target a

> save ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v2.pdb"" models #2
> displayedOnly true

> select #2/A:1762@CE1

1 atom, 1 residue, 1 model selected  

> hide sel target a

Drag select of 11 atoms, 24 residues, 8 bonds  

> hide sel target a

> select clear

Drag select of 3 residues, 1 bonds  

> select add #2/A:403@CB

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:403@CG

2 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:403@CD1

3 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:403@CE1

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:403@CZ

5 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:403@CE2

6 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:403@CD2

7 atoms, 3 bonds, 1 residue, 1 model selected  

> hide sel target a

Drag select of 6 atoms, 2 residues, 5 bonds  

> hide sel target a

Drag select of 5 atoms, 8 residues, 1 pseudobonds, 4 bonds  

> hide (#!2 & sel) target a

> show #1 models

> hide #1 models

> select add #2/A:399@CB

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #2/A:399@CG

2 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #2/A:399@CD2

3 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:399@CE2

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:399@CZ

5 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:399@CE1

6 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #2/A:399@CD1

7 atoms, 3 bonds, 1 residue, 1 model selected  

> hide sel target a

> select #2/A:1666@CD2

1 atom, 1 residue, 1 model selected  

> select add #2/A:1666@CD1

2 atoms, 1 residue, 1 model selected  

> select add #2/A:1666@CG

3 atoms, 1 residue, 1 model selected  

> select add #2/A:1666@CB

4 atoms, 3 bonds, 1 residue, 1 model selected  

> hide sel target a

> save ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb"" models #2
> displayedOnly true

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb""

Summary of feedback from opening /Users/fayal/Documents/taf/1-Fayal
lab/4-Projects/Toxin survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 1 1 THR A 17 GLN A 32 1 16  
Start residue of secondary structure not found: HELIX 2 2 GLN A 56 GLN A 60 1
5  
Start residue of secondary structure not found: HELIX 3 3 PRO A 66 GLY A 70 1
5  
Start residue of secondary structure not found: HELIX 4 4 ASN A 110 VAL A 114
1 5  
Start residue of secondary structure not found: HELIX 5 5 HIS A 119 VAL A 130
1 12  
69 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (281 )  
Cannot find LINK/SSBOND residue CYS (327 )  
Cannot find LINK/SSBOND residue CYS (909 )  
Cannot find LINK/SSBOND residue CYS (1365 )  
Cannot find LINK/SSBOND residue CYS (1730 )  
16 messages similar to the above omitted  
  
Chain information for 8T6L_rNav1.5_BTX-v3.pdb #3  
---  
Chain | Description  
A | No description available  
  

> hide #!2 models

> show #!2 models

> hide #!3 models

> close #3

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v2.pdb""

Summary of feedback from opening /Users/fayal/Documents/taf/1-Fayal
lab/4-Projects/Toxin survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v2.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 1 1 THR A 17 GLN A 32 1 16  
Start residue of secondary structure not found: HELIX 2 2 GLN A 56 GLN A 60 1
5  
Start residue of secondary structure not found: HELIX 3 3 PRO A 66 GLY A 70 1
5  
Start residue of secondary structure not found: HELIX 4 4 ASN A 110 VAL A 114
1 5  
Start residue of secondary structure not found: HELIX 5 5 HIS A 119 VAL A 130
1 12  
69 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (281 )  
Cannot find LINK/SSBOND residue CYS (327 )  
Cannot find LINK/SSBOND residue CYS (909 )  
Cannot find LINK/SSBOND residue CYS (1365 )  
Cannot find LINK/SSBOND residue CYS (1730 )  
16 messages similar to the above omitted  
  
Chain information for 8T6L_rNav1.5_BTX-v2.pdb #3  
---  
Chain | Description  
A | No description available  
  

> hide #!2 models

> close #3

> close #1

> show #!2 models

> ui mousemode right select

> save ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb""

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb""

Chain information for 8T6L_rNav1.5_BTX-v3.pdb #1  
---  
Chain | Description  
A | No description available  
  
8 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> hide #!2 models

> show #!2 models

> hide #!1 models

> close #1

> save ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb"" displayedOnly
> true

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb""

Summary of feedback from opening /Users/fayal/Documents/taf/1-Fayal
lab/4-Projects/Toxin survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 1 1 THR A 17 GLN A 32 1 16  
Start residue of secondary structure not found: HELIX 2 2 GLN A 56 GLN A 60 1
5  
Start residue of secondary structure not found: HELIX 3 3 PRO A 66 GLY A 70 1
5  
Start residue of secondary structure not found: HELIX 4 4 ASN A 110 VAL A 114
1 5  
Start residue of secondary structure not found: HELIX 5 5 HIS A 119 VAL A 130
1 12  
69 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (281 )  
Cannot find LINK/SSBOND residue CYS (327 )  
Cannot find LINK/SSBOND residue CYS (909 )  
Cannot find LINK/SSBOND residue CYS (1365 )  
Cannot find LINK/SSBOND residue CYS (1730 )  
16 messages similar to the above omitted  
  
Chain information for 8T6L_rNav1.5_BTX-v3.pdb #1  
---  
Chain | Description  
A | No description available  
  

> select add #1

181 atoms, 175 bonds, 18 pseudobonds, 25 residues, 4 models selected  

> select subtract #1

4 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #2

10980 atoms, 11288 bonds, 4 pseudobonds, 1279 residues, 3 models selected  

> select subtract #2

Nothing selected  

> hide #!2 models

> show #!2 models

> close #1

> select add #2

10980 atoms, 11288 bonds, 4 pseudobonds, 1279 residues, 3 models selected  

> save ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb"" selectedOnly true

> select subtract #2

Nothing selected  

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v3.pdb""

Chain information for 8T6L_rNav1.5_BTX-v3.pdb #1  
---  
Chain | Description  
A | No description available  
  
8 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> hide #!2 models

> show #!2 models

> hide #!1 models

> close #1

> save ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/8T6L_rNav1.5_BTX-v0.cxs""

——— End of log from Mon Oct 14 18:43:18 2024 ———

opened ChimeraX session  

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/Alphafold_prediction/PumNav14_with_template_hNav14_9fa5e/PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb""

Chain information for
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb
#1  
---  
Chain | Description  
A | No description available  
  

> matchmaker #2 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
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb,
chain A (#1) with 8t6l, chain A (#2), sequence alignment score = 5749.2  
RMSD between 1090 pruned atom pairs is 0.896 angstroms; (across all 1236
pairs: 3.532)  
  

> matchmaker #2 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
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb,
chain A (#1) with 8t6l, chain A (#2), sequence alignment score = 5749.2  
RMSD between 1090 pruned atom pairs is 0.896 angstroms; (across all 1236
pairs: 3.532)  
  

> select add #1

14707 atoms, 15051 bonds, 1843 residues, 1 model selected  

> preset cartoons/nucleotides cylinders/stubs

Using preset: Cartoons/Nucleotides / Cylinders/Stubs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    ~worm
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh tube rad 2 sides 24 thick 0.6
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides stubs

  

> select subtract #1

Nothing selected  

> preset cartoons/nucleotides ribbons/slabs

Using preset: Cartoons/Nucleotides / Ribbons/Slabs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    ~worm
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    nucleotides tube/slab shape box

  

> preset cartoons/nucleotides licorice/ovals

Using preset: Cartoons/Nucleotides / Licorice/Ovals  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    ~worm
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh default arrows f x round width 1 thick 1
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides tube/slab shape ellipsoid

  

> preset cartoons/nucleotides cylinders/stubs

Using preset: Cartoons/Nucleotides / Cylinders/Stubs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    ~worm
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh tube rad 2 sides 24 thick 0.6
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides stubs

  

> select add #1

14707 atoms, 15051 bonds, 1843 residues, 1 model selected  

> select subtract #1

Nothing selected  

> set bgColor white

> set bgColor black

> set bgColor white

> color #2 #7a81ffff

> color #2 #0433ffff

> color #2 #005493ff

> color #2 #011993ff

> color #2 #005493ff

> color #2 #009193ff

> color #2 #005493ff

> color #2 #0096ffff

> color #2 #0433ffff

> color #2 #011993ff

> color #2 #531b93ff

> color #2 #011993ff

> color #2 #005493ff

> color #2 #531b93ff

> color #2 #9437ffff

> color #2 #0433ffff

> color #2 #005493ff

> color #2 #0062aeff

> color #2 #0061acff

> color #2 #011993ff

> color #2 #0433ffff

> color #2 #0096ffff

> color #2 #0433ffff

> color #2 #032eefff

> color #2 #531b93ff

> color #2 #011993ff

> color #2 #005493ff

> color #2 #0096ffff

> color #2 #00fdffff

> color #2 #00fa92ff

> color #2 #00fdffff

> color #2 #0096ffff

> color #2 #0433ffff

> color #2 #7a81ffff

> color #2 #4a4f9dff

> color #2 #4f55a9ff

> color #2 #3b3f7eff

> color #2 #5257aeff

> color #2 #575db9ff

> color #2 #595fbdff

> color #1 #008f00ff

> color #1 #4f8f00ff

> color #1 #929000ff

> color #1 #9437ffff

> color #1 #942193ff

> color #1 #941751ff

> color #1 #942193ff

> color #1 #941751ff

> color #1 #ff2f92ff

> color #1 #9437ffff

> color #1 #ff2f92ff

> color #1 #941751ff

> color #1 #d52176ff

> color #1 #a5195bff

> color #1 #be1d69ff

> color #1 #ab1a5eff

> ui mousemode right select

> select #1/A:813

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/A:391

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/A:392

11 atoms, 11 bonds, 1 residue, 1 model selected  

> ui mousemode right select

> ui mousemode right ""move label""

> ui mousemode right select

> select clear

> ui mousemode right label

> label delete residues

> ui mousemode right zone

> ui mousemode right label

> ui mousemode right ""move label""

> ui mousemode right label

> label delete residues

> ui mousemode right select

> select clear

> ui mousemode right ""move label""

> ui mousemode right rotate

> ui mousemode right select

> select clear

> delete label

Missing or invalid ""atoms"" argument: invalid atoms specifier  

> select clear

> ui mousemode right label

> label delete residues

> ui mousemode right ""move label""

> lighting soft

> lighting full

> lighting flat

> lighting shadows true intensity 0.5

> graphics silhouettes false

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting full

> lighting simple

> lighting soft

> lighting simple

> save /Users/fayal/Desktop/image2.png supersample 3

> save /Users/fayal/Desktop/image3.png supersample 3

> save ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/PumNav1.4-rNav1.5-BTX.cxs""

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/Alphafold_prediction/PumNav14_with_template_hNav14_9fa5e/PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb""

Chain information for
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb
#3  
---  
Chain | Description  
A | No description available  
  

> hide #!2 models

> hide #1 models

> color bfactor #3 palette alphafold

14707 atoms, 1843 residues, atom bfactor range 20.8 to 95.3  

> select add #3

14707 atoms, 15051 bonds, 1843 residues, 1 model selected  

> preset cartoons/nucleotides cylinders/stubs

Using preset: Cartoons/Nucleotides / Cylinders/Stubs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    ~worm
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh tube rad 2 sides 24 thick 0.6
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides stubs

  

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/Alphafold_prediction/PumNav14_with_template_hNav14_9fa5e/PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_003_alphafold2_ptm_model_3_seed_000.pdb""

Chain information for
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_003_alphafold2_ptm_model_3_seed_000.pdb
#4  
---  
Chain | Description  
A | No description available  
  

> color bfactor #4 palette alphafold

14707 atoms, 1843 residues, atom bfactor range 19.8 to 93.9  

> hide #3 models

> select subtract #3

Nothing selected  

> matchmaker #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
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb,
chain A (#3) with
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_003_alphafold2_ptm_model_3_seed_000.pdb,
chain A (#4), sequence alignment score = 9361.6  
RMSD between 1105 pruned atom pairs is 0.989 angstroms; (across all 1843
pairs: 12.359)  
  

> select add #4

14707 atoms, 15051 bonds, 1843 residues, 1 model selected  

> show #3 models

> preset cartoons/nucleotides cylinders/stubs

Using preset: Cartoons/Nucleotides / Cylinders/Stubs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    ~worm
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh tube rad 2 sides 24 thick 0.6
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides stubs

  

> select subtract #4

Nothing selected  

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> hide #4 models

> show #3 models

> show #4 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #4 models

> show #4 models

> hide #4 models

> show #4 models

> hide #4 models

> show #4 models

> hide #4 models

> show #4 models

> hide #4 models

> close #4

> lighting simple

> lighting soft

> lighting full

> lighting soft

> lighting simple

> lighting soft

> lighting full

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting full

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> lighting soft

> lighting simple

> save /Users/fayal/Desktop/image2.png supersample 3

> show #!2 models

> show #1 models

> hide #3 models

> hide #1 models

> show #1 models

> hide #!2 models

> show #3 models

> show #!2 models

> hide #1 models

> hide #!2 models

> lighting full

> lighting soft

> lighting simple

> save /Users/fayal/Desktop/image3.png supersample 3

> open ""/Users/fayal/Documents/taf/1-Fayal lab/4-Projects/Toxin
> survival_autoresistance/BTX_birds/6agf.pdb""

6agf.pdb title:  
Structure of the human voltage-gated sodium channel NAV1.4 In complex with Β1
[more info...]  
  
Chain information for 6agf.pdb #4  
---  
Chain | Description | UniProt  
A | sodium channel protein type 4 subunit α | SCN4A_HUMAN 1-1836  
B | sodium channel subunit β-1 | SCN1B_HUMAN 1-218  
  
Non-standard residues in 6agf.pdb #4  
---  
6OU — [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-
propan-2-yl] (~{Z})-octadec-9-enoate  
9Z9 — (3Β,14Β,17Β,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en  
BMA — β-D-mannopyranose  
NAG — 2-acetamido-2-deoxy-β-D-glucopyranose  
  

> hide #3 models

> matchmaker #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
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb,
chain A (#3) with 6agf.pdb, chain A (#4), sequence alignment score = 6509  
RMSD between 1080 pruned atom pairs is 0.824 angstroms; (across all 1138
pairs: 1.259)  
  

> show #3 models

> select add #4

10980 atoms, 11243 bonds, 3 pseudobonds, 1327 residues, 3 models selected  

> preset cartoons/nucleotides cylinders/stubs

Using preset: Cartoons/Nucleotides / Cylinders/Stubs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    ~worm
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh tube rad 2 sides 24 thick 0.6
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides stubs

  

> select subtract #4

Nothing selected  

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> ui mousemode right select

> select #4/B:169

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #4/B:175

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #4/B:186

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #4/B:190

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/B:64

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #4/B:190

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #4/B:191

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #4/B:192

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #4/B:191

12 atoms, 10 bonds, 2 residues, 1 model selected  

> select add #4/B:190

21 atoms, 18 bonds, 3 residues, 1 model selected  

> select add #4/B:189

28 atoms, 24 bonds, 4 residues, 1 model selected  

> select add #4/B:188

33 atoms, 28 bonds, 5 residues, 1 model selected  

> select add #4/B:186

38 atoms, 32 bonds, 6 residues, 1 model selected  

> select add #4/B:187

43 atoms, 36 bonds, 7 residues, 1 model selected  

> select subtract #4/B:187

38 atoms, 32 bonds, 6 residues, 1 model selected  

> select subtract #4/B:186

33 atoms, 28 bonds, 5 residues, 1 model selected  

> select add #4/B:186

38 atoms, 32 bonds, 6 residues, 1 model selected  

> cartoon hide sel

> select add #4/B:187

43 atoms, 36 bonds, 7 residues, 1 model selected  

> select add #4/B:185

51 atoms, 43 bonds, 8 residues, 1 model selected  

> select add #4/B:184

60 atoms, 51 bonds, 9 residues, 1 model selected  

> select add #4/B:183

69 atoms, 59 bonds, 10 residues, 1 model selected  

> select add #4/B:182

81 atoms, 71 bonds, 11 residues, 1 model selected  

> select add #4/B:181

87 atoms, 76 bonds, 12 residues, 1 model selected  

> select add #4/B:180

99 atoms, 88 bonds, 13 residues, 1 model selected  

> select add #4/B:179

107 atoms, 95 bonds, 14 residues, 1 model selected  

> select add #4/B:178

115 atoms, 102 bonds, 15 residues, 1 model selected  

> select add #4/B:177

124 atoms, 110 bonds, 16 residues, 1 model selected  

> select add #4/B:176

129 atoms, 114 bonds, 17 residues, 1 model selected  

> select add #4/B:175

136 atoms, 120 bonds, 18 residues, 1 model selected  

> select add #4/B:174

144 atoms, 127 bonds, 19 residues, 1 model selected  

> select subtract #4/B:174

136 atoms, 120 bonds, 18 residues, 1 model selected  

> select add #4/B:174

144 atoms, 127 bonds, 19 residues, 1 model selected  

> select add #4/B:173

158 atoms, 142 bonds, 20 residues, 1 model selected  

> select add #4/B:171

165 atoms, 148 bonds, 21 residues, 1 model selected  

> select add #4/B:170

173 atoms, 155 bonds, 22 residues, 1 model selected  

> select add #4/B:169

180 atoms, 161 bonds, 23 residues, 1 model selected  

> cartoon hide sel

> select #4/B:172

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #4/B:168

15 atoms, 13 bonds, 2 residues, 1 model selected  

> select add #4/B:167

23 atoms, 20 bonds, 3 residues, 1 model selected  

> select add #4/B:166

31 atoms, 27 bonds, 4 residues, 1 model selected  

> select add #4/B:165

38 atoms, 33 bonds, 5 residues, 1 model selected  

> select add #4/B:164

50 atoms, 45 bonds, 6 residues, 1 model selected  

> select add #4/B:163

58 atoms, 52 bonds, 7 residues, 1 model selected  

> select add #4/B:162

66 atoms, 59 bonds, 8 residues, 1 model selected  

> select add #4/B:161

74 atoms, 66 bonds, 9 residues, 1 model selected  

> select add #4/B:160

83 atoms, 74 bonds, 10 residues, 1 model selected  

> select add #4/B:159

89 atoms, 79 bonds, 11 residues, 1 model selected  

> select add #4/B:158

96 atoms, 85 bonds, 12 residues, 1 model selected  

> select add #4/B:157

104 atoms, 92 bonds, 13 residues, 1 model selected  

> select add #4/B:156

110 atoms, 97 bonds, 14 residues, 1 model selected  

> select add #4/B:155

115 atoms, 101 bonds, 15 residues, 1 model selected  

> select add #4/B:154

123 atoms, 108 bonds, 16 residues, 1 model selected  

> cartoon hide sel

Drag select of 28 atoms, 92 residues, 28 bonds  

> cartoon hide sel

Drag select of 28 atoms, 2 residues, 28 bonds  

> cartoon hide sel

Drag select of 28 atoms, 28 bonds  

> cartoon hide sel

> hide sel target a

> select #4/B:102

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #4/B:101

17 atoms, 15 bonds, 2 residues, 1 model selected  

> select add #4/B:99

26 atoms, 23 bonds, 3 residues, 1 model selected  

> select add #4/B:100

34 atoms, 30 bonds, 4 residues, 1 model selected  

> select add #4/B:98

41 atoms, 36 bonds, 5 residues, 1 model selected  

> select add #4/B:97

45 atoms, 39 bonds, 6 residues, 1 model selected  

> select add #4/B:76

54 atoms, 47 bonds, 7 residues, 1 model selected  

> select add #4/B:75

62 atoms, 54 bonds, 8 residues, 1 model selected  

> select add #4/B:74

71 atoms, 62 bonds, 9 residues, 1 model selected  

> hide sel target a

> cartoon hide sel

> select #4/B:123

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select add #4/B:124

19 atoms, 18 bonds, 2 residues, 1 model selected  

> select add #4/B:125

30 atoms, 28 bonds, 3 residues, 1 model selected  

> select add #4/B:126

38 atoms, 35 bonds, 4 residues, 1 model selected  

> select add #4/B:127

46 atoms, 42 bonds, 5 residues, 1 model selected  

> select add #4/B:138

53 atoms, 48 bonds, 6 residues, 1 model selected  

> select add #4/B:137

59 atoms, 53 bonds, 7 residues, 1 model selected  

> select add #4/B:129

70 atoms, 64 bonds, 8 residues, 1 model selected  

> select add #4/B:130

79 atoms, 72 bonds, 9 residues, 1 model selected  

> select add #4/B:131

87 atoms, 79 bonds, 10 residues, 1 model selected  

> select add #4/B:132

99 atoms, 91 bonds, 11 residues, 1 model selected  

> select add #4/B:135

107 atoms, 98 bonds, 12 residues, 1 model selected  

> hide sel target a

> cartoon hide sel

> select #4/B:128

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #4/B:134

21 atoms, 21 bonds, 2 residues, 1 model selected  

> select add #4/B:136

28 atoms, 27 bonds, 3 residues, 1 model selected  

> select add #4/B:133

37 atoms, 35 bonds, 4 residues, 1 model selected  

> cartoon hide sel

> select #4/B:24

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select add #4/B:23

16 atoms, 14 bonds, 2 residues, 1 model selected  

> select add #4/B:22

23 atoms, 20 bonds, 3 residues, 1 model selected  

> select add #4/B:20

27 atoms, 23 bonds, 4 residues, 1 model selected  

> select add #4/B:21

33 atoms, 28 bonds, 5 residues, 1 model selected  

> cartoon hide sel

> select #4/B:54

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #4/B:53

18 atoms, 17 bonds, 2 residues, 1 model selected  

> select add #4/B:52

27 atoms, 25 bonds, 3 residues, 1 model selected  

> select add #4/B:51

32 atoms, 29 bonds, 4 residues, 1 model selected  

> select add #4/B:50

40 atoms, 36 bonds, 5 residues, 1 model selected  

> select add #4/B:49

47 atoms, 42 bonds, 6 residues, 1 model selected  

> select add #4/B:48

56 atoms, 50 bonds, 7 residues, 1 model selected  

> select add #4/B:47

62 atoms, 55 bonds, 8 residues, 1 model selected  

> select add #4/B:46

73 atoms, 65 bonds, 9 residues, 1 model selected  

> select add #4/B:44

82 atoms, 73 bonds, 10 residues, 1 model selected  

> select add #4/B:45

93 atoms, 83 bonds, 11 residues, 1 model selected  

> select add #4/B:43

99 atoms, 88 bonds, 12 residues, 1 model selected  

> cartoon hide sel

> select #4/E:2@C4

1 atom, 1 residue, 1 model selected  
Drag select of 27 atoms, 28 bonds  

> hide sel target a

> select #4/E:1@C8

1 atom, 1 residue, 1 model selected  

> hide sel target a

> show #1 models

> matchmaker #4 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
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb,
chain A (#1) with 6agf.pdb, chain A (#4), sequence alignment score = 6509  
RMSD between 1080 pruned atom pairs is 0.824 angstroms; (across all 1138
pairs: 1.259)  
  

> hide #1 models

> show #!2 models

> show #1 models

> hide #1 models

> hide #!4 models

> show #!4 models

> hide #!2 models

> select clear

> ui mousemode right label

> ui mousemode right ""move label""

> ui mousemode right select

> select add #4/D:2@C6

1 atom, 1 bond, 1 residue, 1 model selected  
Drag select of 19 atoms, 20 bonds  

> hide sel target a

Drag select of 9 atoms, 7 bonds  

> hide sel target a

Drag select of 10 atoms, 12 bonds  

> hide sel target a

Drag select of 10 atoms, 8 bonds  

> hide sel target a

Drag select of 19 atoms, 19 bonds  

> hide sel target a

> select #4/A:1909@N29

1 atom, 1 residue, 1 model selected  

> select add #4/A:1909@O25

2 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@O26

3 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@P23

4 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C27

5 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@O22

6 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C21

7 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C20

8 atoms, 9 bonds, 1 residue, 1 model selected  

> hide sel target a

> select #4/A:1909@C28

1 atom, 1 residue, 1 model selected  

> select add #4/A:1909@O24

2 atoms, 1 residue, 1 model selected  

> hide sel target a

> select #4/A:1909@O30

1 atom, 1 residue, 1 model selected  

> select add #4/A:1909@O32

2 atoms, 1 residue, 1 model selected  

> select add #4/A:1909@C31

3 atoms, 1 residue, 1 model selected  

> select add #4/A:1909@C33

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C34

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C35

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C36

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C37

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C38

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C39

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C40

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C41

12 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C42

13 atoms, 12 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C43

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C44

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select add #4/A:1426

23 atoms, 22 bonds, 2 residues, 1 model selected  

> select subtract #4/A:1426

15 atoms, 15 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C45

16 atoms, 15 bonds, 1 residue, 1 model selected  

> hide sel target a

> select #4/A:1909@C19

1 atom, 1 residue, 1 model selected  

> select add #4/A:1909@C16

2 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@O17

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C15

4 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C14

5 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C13

6 atoms, 6 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C12

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C11

8 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C10

9 atoms, 9 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C09

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C08

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C07

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C06

13 atoms, 13 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C05

14 atoms, 14 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C04

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select subtract #4/A:1909@C04

14 atoms, 14 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C04

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C03

16 atoms, 16 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C02

17 atoms, 17 bonds, 1 residue, 1 model selected  

> select add #4/A:1909@C01

18 atoms, 18 bonds, 1 residue, 1 model selected  

> hide sel target a

> select #4/A:1909@O18

1 atom, 1 residue, 1 model selected  

> hide sel target a

> select #4/A:1913@N29

1 atom, 1 residue, 1 model selected  

> select add #4/A:1913@C28

2 atoms, 1 bond, 1 residue, 1 model selected  

> select add #4/A:1913@C27

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@O26

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@P23

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@O24

6 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@O25

7 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@O22

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C21

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C20

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C19

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@O18

12 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C16

13 atoms, 12 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@O17

14 atoms, 12 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C15

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C14

16 atoms, 15 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C13

17 atoms, 16 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C12

18 atoms, 17 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C11

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C10

20 atoms, 19 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C09

21 atoms, 20 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C08

22 atoms, 21 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C07

23 atoms, 22 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C06

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C05

25 atoms, 24 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C04

26 atoms, 25 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C03

27 atoms, 26 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@O30

28 atoms, 27 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C31

29 atoms, 28 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@O32

30 atoms, 28 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C33

31 atoms, 30 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C34

32 atoms, 31 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C35

33 atoms, 32 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C36

34 atoms, 33 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C37

35 atoms, 34 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C38

36 atoms, 34 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C39

37 atoms, 36 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C40

38 atoms, 37 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C41

39 atoms, 38 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C42

40 atoms, 39 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C43

41 atoms, 40 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C44

42 atoms, 41 bonds, 1 residue, 1 model selected  

> select add #4/A:1913@C45

43 atoms, 42 bonds, 1 residue, 1 model selected  

> hide sel target a

> select add #4/A:1908@N29

44 atoms, 42 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C28

45 atoms, 43 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C27

46 atoms, 44 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@O26

47 atoms, 45 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@P23

48 atoms, 46 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@O25

49 atoms, 47 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@O24

50 atoms, 48 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@O22

51 atoms, 49 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C21

52 atoms, 50 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C20

53 atoms, 51 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@O30

54 atoms, 52 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C31

55 atoms, 53 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@O32

56 atoms, 54 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C19

57 atoms, 55 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@O18

58 atoms, 56 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C16

59 atoms, 57 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@O17

60 atoms, 58 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C33

61 atoms, 59 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C34

62 atoms, 60 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C15

63 atoms, 61 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C14

64 atoms, 62 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C35

65 atoms, 63 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C36

66 atoms, 64 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C13

67 atoms, 65 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C12

68 atoms, 66 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C37

69 atoms, 67 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C38

70 atoms, 68 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C39

71 atoms, 69 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C40

72 atoms, 70 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C41

73 atoms, 71 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C43

74 atoms, 73 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C44

75 atoms, 74 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C11

76 atoms, 75 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C10

77 atoms, 76 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C09

78 atoms, 77 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C08

79 atoms, 78 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C07

80 atoms, 79 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C06

81 atoms, 80 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C05

82 atoms, 81 bonds, 2 residues, 1 model selected  

> select add #4/A:1908@C04

83 atoms, 82 bonds, 2 residues, 1 model selected  

> hide sel target a

> select #4/A:1908@C42

1 atom, 1 residue, 1 model selected  

> hide sel target a

> select add #4/A:1912@N29

2 atoms, 2 residues, 1 model selected  

> select add #4/A:1912@C28

3 atoms, 1 bond, 2 residues, 1 model selected  

> select add #4/A:1912@C27

4 atoms, 2 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@O26

5 atoms, 3 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@P23

6 atoms, 4 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@O24

7 atoms, 5 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@O25

8 atoms, 6 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@O22

9 atoms, 7 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C21

10 atoms, 8 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C20

11 atoms, 9 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@O30

12 atoms, 10 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C31

13 atoms, 11 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@O32

14 atoms, 12 bonds, 2 residues, 1 model selected  

> select subtract #4/A:1912@O32

13 atoms, 11 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@O32

14 atoms, 11 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C33

15 atoms, 13 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C34

16 atoms, 14 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C35

17 atoms, 15 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C36

18 atoms, 16 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C37

19 atoms, 17 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C38

20 atoms, 18 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C39

21 atoms, 19 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C19

22 atoms, 20 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@O18

23 atoms, 21 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C16

24 atoms, 22 bonds, 2 residues, 1 model selected  

> select subtract #4/A:1912@C16

23 atoms, 21 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C16

24 atoms, 21 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@O17

25 atoms, 22 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C15

26 atoms, 24 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C14

27 atoms, 25 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C13

28 atoms, 26 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C12

29 atoms, 27 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C11

30 atoms, 28 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C10

31 atoms, 29 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C09

32 atoms, 30 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C08

33 atoms, 31 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C07

34 atoms, 32 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C06

35 atoms, 33 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C05

36 atoms, 34 bonds, 2 residues, 1 model selected  

> select add #4/A:1912@C04

37 atoms, 35 bonds, 2 residues, 1 model selected  

> hide sel target a

> select add #4/A:1910@C45

38 atoms, 35 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C44

39 atoms, 36 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C43

40 atoms, 37 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C42

41 atoms, 38 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C41

42 atoms, 39 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C40

43 atoms, 40 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C39

44 atoms, 41 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C38

45 atoms, 42 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C37

46 atoms, 43 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C36

47 atoms, 44 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C35

48 atoms, 45 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C34

49 atoms, 46 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C33

50 atoms, 47 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C31

51 atoms, 48 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@O32

52 atoms, 49 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@O30

53 atoms, 50 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C20

54 atoms, 51 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C19

55 atoms, 52 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@O18

56 atoms, 53 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C16

57 atoms, 54 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@O17

58 atoms, 55 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C21

59 atoms, 56 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@O22

60 atoms, 57 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@P23

61 atoms, 58 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@O24

62 atoms, 59 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@O25

63 atoms, 60 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@O26

64 atoms, 61 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C27

65 atoms, 62 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@C28

66 atoms, 63 bonds, 3 residues, 1 model selected  

> select add #4/A:1910@N29

67 atoms, 64 bonds, 3 residues, 1 model selected  

> hide sel target a

> select add #4/A:1914@C26

68 atoms, 64 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@O25

69 atoms, 65 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C24

70 atoms, 66 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C23

71 atoms, 67 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C48

72 atoms, 68 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C22

73 atoms, 69 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@O20

74 atoms, 70 bonds, 4 residues, 1 model selected  

> hide sel target a

> select add #4/A:1914@C21

75 atoms, 70 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@O49

76 atoms, 70 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C50

77 atoms, 71 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C17

78 atoms, 71 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C18

79 atoms, 72 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C19

80 atoms, 73 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C16

81 atoms, 74 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C13

82 atoms, 75 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C11

83 atoms, 76 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C08

84 atoms, 78 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C14

85 atoms, 79 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C15

86 atoms, 80 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C07

87 atoms, 81 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C09

88 atoms, 83 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C12

89 atoms, 84 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C10

90 atoms, 85 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C02

91 atoms, 86 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C06

92 atoms, 87 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C03

93 atoms, 89 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C01

94 atoms, 90 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C05

95 atoms, 91 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C04

96 atoms, 92 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C74

97 atoms, 94 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C75

98 atoms, 94 bonds, 4 residues, 1 model selected  

> select subtract #4/A:1914@C74

97 atoms, 93 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C74

98 atoms, 93 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@O72

99 atoms, 95 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C73

100 atoms, 96 bonds, 4 residues, 1 model selected  

> hide sel target a

> select add #4/A:1914@O80

101 atoms, 97 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C79

102 atoms, 98 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C78

103 atoms, 99 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C81

104 atoms, 100 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C77

105 atoms, 101 bonds, 4 residues, 1 model selected  

> select add #4/A:1914@C76

106 atoms, 102 bonds, 4 residues, 1 model selected  

> hide sel target a

> select #4/A:1911@N29

1 atom, 1 residue, 1 model selected  

> select add #4/A:1911@C28

2 atoms, 1 bond, 1 residue, 1 model selected  

> select add #4/A:1911@C27

3 atoms, 2 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@O24

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@P23

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@O25

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@O22

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C21

8 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C20

9 atoms, 9 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@O30

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C19

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C34

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C33

13 atoms, 13 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@O18

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C16

15 atoms, 15 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@O17

16 atoms, 15 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C36

17 atoms, 18 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C37

18 atoms, 19 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C38

19 atoms, 20 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C39

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C15

21 atoms, 22 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C14

22 atoms, 23 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C13

23 atoms, 24 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C12

24 atoms, 25 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C11

25 atoms, 25 bonds, 1 residue, 1 model selected  

> hide sel target a

> select add #4/A:1911@C31

26 atoms, 26 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@O32

27 atoms, 27 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@O26

28 atoms, 27 bonds, 1 residue, 1 model selected  

> select add #4/A:1911@C35

29 atoms, 27 bonds, 1 residue, 1 model selected  

> hide sel target a

> show #1 models

> select add #4

10980 atoms, 11243 bonds, 3 pseudobonds, 1327 residues, 3 models selected  

> select subtract #4

Nothing selected  

> select clear

> ui mousemode right label

> ui mousemode right ""move label""

> ui mousemode right select

> hide #!4 models

> show #!4 models

> hide #!4 models

> hide #1 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!4 models

> show #1 models

> matchmaker #4 to #1 showAlignment true

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
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb,
chain A (#1) with 6agf.pdb, chain A (#4), sequence alignment score = 6509  
Alignment identifier is 1  
Showing conservation header (""seq_conservation"" residue attribute) for
alignment 1  
Hiding conservation header for alignment 1  
Chains used in RMSD evaluation for alignment 1:
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb
#1/A, 6agf.pdb #4/A  
Showing rmsd header (""seq_rmsd"" residue attribute) for alignment 1  
RMSD between 1080 pruned atom pairs is 0.824 angstroms; (across all 1138
pairs: 1.259)  
  

> ui tool show ""Render/Select by Attribute""

> key blue-white-red :0.06 :2.50 :4.96 showTool true

> ui mousemode right ""color key""

> ui mousemode right select

> color byattribute r:seq_rmsd #1#!4 target sabc palette
> 0.06,blue:2.5,white:4.96246,red

25687 atoms, 3170 residues, atom seq_rmsd range 0.0659 to 11.5  

> hide #1 models

> hide #!4 models

> show #!4 models

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #!4 models

> hide #1 models

> show #1 models

> hide #5 models

> show #5 models

> hide #5 models

> show #5 models

> hide #1 models

> show #!4 models

> show #1 models

> hide #!4 models

> show #!4 models

> hide #1 models

> show #1 models

> hide #!4 models

> show #!4 models

> hide #1 models

> close #5

> show #1 models

> hide #1 models

> hide #!4 models

> show #!4 models

> show #1 models

> matchmaker #4 to #1 showAlignment true

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
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb,
chain A (#1) with 6agf.pdb, chain A (#4), sequence alignment score = 6509  
Alignment identifier is 1  
Showing conservation header (""seq_conservation"" residue attribute) for
alignment 1  
Hiding conservation header for alignment 1  
Chains used in RMSD evaluation for alignment 1:
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb
#1/A, 6agf.pdb #4/A  
Showing rmsd header (""seq_rmsd"" residue attribute) for alignment 1  
RMSD between 1080 pruned atom pairs is 0.824 angstroms; (across all 1138
pairs: 1.259)  
  

> ui tool show ""Render/Select by Attribute""

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!2 models

> hide #1 models

> show #1 models

> matchmaker #2 to #1 showAlignment true

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
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb,
chain A (#1) with 8t6l, chain A (#2), sequence alignment score = 5749.2  
Alignment identifier is 1  
Showing conservation header (""seq_conservation"" residue attribute) for
alignment 1  
Hiding conservation header for alignment 1  
Chains used in RMSD evaluation for alignment 1:
PumNav14_with_template_hNav14_9fa5e_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb
#1/A, 8t6l #2/A  
Showing rmsd header (""seq_rmsd"" residue attribute) for alignment 1  
RMSD between 1090 pruned atom pairs is 0.896 angstroms; (across all 1236
pairs: 3.532)  
  

> ui tool show ""Render/Select by Attribute""

> key blue-white-red :0.05 :2.00 :5.00 showTool true

> ui mousemode right ""color key""

> key blue-white-red :0.05 :2.00 :5.0

> key blue-white-red :0.05 :2.0 :5.0

> ui mousemode right select

> key blue-white-red :0.1 :2.0 :5.0 showTool true

> ui mousemode right ""color key""

> ui mousemode right select

> color byattribute r:seq_rmsd #1#!2 target sabc palette
> 0.1,blue:2,white:5,red

25687 atoms, 3122 residues, atom seq_rmsd range 0.0361 to 36.9  

> 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 #1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #3 models

> close #3

> show #!2 models

> show #!4 models

> hide #!4 models

> show #1 models

> hide #1 models

> show #1 models

> hide #!2 models

> hide #6 models

> show #6 models

> hide #1 models

> show #1 models

> show #!2 models

> hide #1 models

> color #2 #fa4821ff

> color #2 #e8b791ff

> color #2 #ecbcb1ff

> color #2 #eaa8a0ff

> color #2 #e89b8fff

> color #2 #ebb9aeff

> color #2 #e9aa9bff

> color #2 #e6998aff

> color #2 #e9a89cff

> color #2 #e8a798ff

> color #2 #e79a8bff

> color #2 #e8ad95ff

> color #2 #e89e8fff

> color #2 #e9a89aff

> color #2 #eab4a9ff

> color #2 #e9a599ff

> lighting soft

> lighting full

> lighting soft

> lighting simple

> lighting soft

> lighting full

> lighting soft

> lighting simple

> lighting soft

> close #6

> show #1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

QPainter::begin: Paint device returned engine == 0, type: 2  


===== Log before crash end =====

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
You can double click a model's Name or ID in the model panel to edit those
fields  
UCSF ChimeraX version: 1.9.dev202407040137 (2024-07-04)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 ATI-5.5.17
OpenGL renderer: AMD Radeon Pro 560X OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.7.0, Qt 6.7.1
Qt runtime version: 6.7.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro15,1
      Processor Name: 6-Core Intel Core i7
      Processor Speed: 2.6 GHz
      Number of Processors: 1
      Total Number of Cores: 6
      L2 Cache (per Core): 256 KB
      L3 Cache: 9 MB
      Hyper-Threading Technology: Enabled
      Memory: 32 GB
      System Firmware Version: 2022.140.5.0.0 (iBridge: 21.16.6074.0.0,0)
      OS Loader Version: 580.140.1~8

Software:

    System Software Overview:

      System Version: macOS 14.6.1 (23G93)
      Kernel Version: Darwin 23.6.0
      Time since boot: 17 days, 22 hours, 38 minutes

Graphics/Displays:

    Intel UHD Graphics 630:

      Chipset Model: Intel UHD Graphics 630
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x3e9b
      Revision ID: 0x0000
      Automatic Graphics Switching: Supported
      gMux Version: 5.0.0
      Metal Support: Metal 3

    Radeon Pro 560X:

      Chipset Model: Radeon Pro 560X
      Type: GPU
      Bus: PCIe
      PCIe Lane Width: x8
      VRAM (Total): 4 GB
      Vendor: AMD (0x1002)
      Device ID: 0x67ef
      Revision ID: 0x00c2
      ROM Revision: 113-C980AL-075
      VBIOS Version: 113-C97501U-005
      EFI Driver Version: 01.A1.075
      Automatic Graphics Switching: Supported
      gMux Version: 5.0.0
      Metal Support: Metal 2
      Displays:
        DELL P3223QE:
          Resolution: 6016 x 3384
          UI Looks like: 3008 x 1692 @ 60.00Hz
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Display Serial Number: C3M9WN3     
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Connection Type: Thunderbolt/DisplayPort


Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 2.4.1
    Babel: 2.15.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.17
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.13
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.58.3
    ChimeraX-AtomicLibrary: 14.1.1
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.4.6
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.13
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.7
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.9.dev202407040137
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.3
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-DeepMutationalScan: 1.0
    ChimeraX-Dicom: 1.2.4
    ChimeraX-DiffPlot: 1.0
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-Foldseek: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.10
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.2
    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: 2.1.4
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.1
    ChimeraX-MedicalToolbar: 1.0.3
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.17
    ChimeraX-ModelPanel: 1.5
    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
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.5
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.6
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.4.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.1.5
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.12.1
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.16.6
    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
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.39.4
    ChimeraX-uniprot: 2.3.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.3
    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: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.2.1
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.2
    decorator: 5.1.1
    docutils: 0.20.1
    executing: 2.0.1
    filelock: 3.13.4
    fonttools: 4.53.0
    funcparserlib: 2.0.0a0
    glfw: 2.7.0
    grako: 3.16.5
    h5py: 3.11.0
    html2text: 2024.2.26
    idna: 3.7
    ihm: 1.0
    imagecodecs: 2024.1.1
    imagesize: 1.4.1
    ipykernel: 6.29.2
    ipython: 8.21.0
    ipywidgets: 8.1.3
    jedi: 0.19.1
    Jinja2: 3.1.4
    jupyter_client: 8.6.0
    jupyter_core: 5.7.2
    jupyterlab_widgets: 3.0.11
    kiwisolver: 1.4.5
    line-profiler: 4.1.2
    lxml: 5.2.1
    lz4: 4.3.3
    MarkupSafe: 2.1.5
    matplotlib: 3.8.4
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.1
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.3.0
    pip: 24.0
    pkginfo: 1.10.0
    platformdirs: 4.2.2
    prompt_toolkit: 3.0.47
    psutil: 5.9.8
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    Pygments: 2.17.2
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.1.2
    pyproject_hooks: 1.1.0
    PyQt6-commercial: 6.7.0
    PyQt6-Qt6: 6.7.2
    PyQt6-sip: 13.6.0
    PyQt6-WebEngine-commercial: 6.7.0
    PyQt6-WebEngine-Qt6: 6.7.2
    PyQt6-WebEngineSubwheel-Qt6: 6.7.2
    python-dateutil: 2.9.0.post0
    pytz: 2024.1
    pyzmq: 26.0.3
    qtconsole: 5.5.1
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.32.3
    scipy: 1.13.0
    setuptools: 69.5.1
    setuptools-scm: 8.0.4
    sfftk-rw: 0.8.1
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    Sphinx: 7.2.6
    sphinx-autodoc-typehints: 2.0.1
    sphinxcontrib-applehelp: 1.0.8
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.6
    sphinxcontrib-htmlhelp: 2.0.5
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.7
    sphinxcontrib-serializinghtml: 1.1.10
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.8.0
    tcia_utils: 1.5.1
    tifffile: 2024.1.30
    tinyarray: 1.2.4
    tornado: 6.4.1
    traitlets: 5.14.2
    typing_extensions: 4.12.2
    tzdata: 2024.1
    urllib3: 2.2.2
    wcwidth: 0.2.13
    webcolors: 1.13
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.11
}}}
"	defect	closed	normal		Window Toolkit		can't reproduce		Greg Couch Eric Pettersen				all	ChimeraX
