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#18731 closed defect (duplicate)

'CategorizedOptionsPanel' object has no attribute 'currentIndex'

Reported by:	pmcarlton@…	Owned by:	Eric Pettersen
Priority:	normal	Milestone:
Component:	General Controls	Version:
Keywords:		Cc:
Blocked By:		Blocking:
Notify when closed:		Platform:	all
Project:	ChimeraX

Description (last modified by Eric Pettersen)

The following bug report has been submitted:
Platform:        macOS-15.6-arm64-arm-64bit
ChimeraX Version: 1.11.dev202506162128 (2025-06-16 21:28:04 UTC)
Description
Tried to set the Cα RMSD as a default header in the sequence alignment window; clicking "save" caused this error.

Log:
UCSF ChimeraX version: 1.11.dev202506162128 (2025-06-16)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open /Users/pcarlton/Desktop/wow3.cxs

Log from Sat Sep 6 22:32:53 2025UCSF ChimeraX version: 1.11.dev202506162128
(2025-06-16)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open /Users/pcarlton/Desktop/wow.cxs

Log from Fri Sep 5 17:09:26 2025UCSF ChimeraX version: 1.11.dev202506132009
(2025-06-13)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/pcarlton/Downloads/fold_dsb_1_chk_2/fold_dsb_1_chk_2_model_0.cif

Chain information for fold_dsb_1_chk_2_model_0.cif #1  
---  
Chain | Description  
A | .  
B | .  
  
Computing secondary structure  

> open /Users/pcarlton/Downloads/fold_dsb_1_chk_2/fold_dsb_1_chk_2_model_4.cif

Chain information for fold_dsb_1_chk_2_model_4.cif #2  
---  
Chain | Description  
A | .  
B | .  
  

> open /Users/pcarlton/Downloads/fold_dsb_1_chk_2/fold_dsb_1_chk_2_model_3.cif

Chain information for fold_dsb_1_chk_2_model_3.cif #3  
---  
Chain | Description  
A | .  
B | .  
  

> open /Users/pcarlton/Downloads/fold_dsb_1_chk_2/fold_dsb_1_chk_2_model_2.cif

Chain information for fold_dsb_1_chk_2_model_2.cif #4  
---  
Chain | Description  
A | .  
B | .  
  

> open /Users/pcarlton/Downloads/fold_dsb_1_chk_2/fold_dsb_1_chk_2_model_1.cif

Chain information for fold_dsb_1_chk_2_model_1.cif #5  
---  
Chain | Description  
A | .  
B | .  
  
Computing secondary structure  
[Repeated 3 time(s)]

> mmaker #5,4,3,2/B to #1/B

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain B (#1) with
fold_dsb_1_chk_2_model_1.cif, chain B (#5), sequence alignment score = 2388.7  
RMSD between 387 pruned atom pairs is 0.493 angstroms; (across all 476 pairs:
22.599)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain B (#1) with
fold_dsb_1_chk_2_model_2.cif, chain B (#4), sequence alignment score = 2399.5  
RMSD between 275 pruned atom pairs is 0.544 angstroms; (across all 476 pairs:
22.976)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain B (#1) with
fold_dsb_1_chk_2_model_3.cif, chain B (#3), sequence alignment score = 2393.5  
RMSD between 293 pruned atom pairs is 0.667 angstroms; (across all 476 pairs:
18.255)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain B (#1) with
fold_dsb_1_chk_2_model_4.cif, chain B (#2), sequence alignment score = 2387.5  
RMSD between 266 pruned atom pairs is 0.428 angstroms; (across all 476 pairs:
32.072)  
  

> mmaker #5,4,3,2/A to #1/A

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain A (#1) with
fold_dsb_1_chk_2_model_1.cif, chain A (#5), sequence alignment score = 1874.1  
RMSD between 45 pruned atom pairs is 0.675 angstroms; (across all 385 pairs:
42.674)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain A (#1) with
fold_dsb_1_chk_2_model_2.cif, chain A (#4), sequence alignment score = 1863.6  
RMSD between 102 pruned atom pairs is 0.370 angstroms; (across all 385 pairs:
42.971)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain A (#1) with
fold_dsb_1_chk_2_model_3.cif, chain A (#3), sequence alignment score = 1893.6  
RMSD between 16 pruned atom pairs is 1.156 angstroms; (across all 385 pairs:
42.030)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain A (#1) with
fold_dsb_1_chk_2_model_4.cif, chain A (#2), sequence alignment score = 1854.6  
RMSD between 12 pruned atom pairs is 1.416 angstroms; (across all 385 pairs:
56.468)  
  

> mmaker #5,4,3,2/B to #1/B

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain B (#1) with
fold_dsb_1_chk_2_model_1.cif, chain B (#5), sequence alignment score = 2388.7  
RMSD between 387 pruned atom pairs is 0.493 angstroms; (across all 476 pairs:
22.599)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain B (#1) with
fold_dsb_1_chk_2_model_2.cif, chain B (#4), sequence alignment score = 2399.5  
RMSD between 275 pruned atom pairs is 0.544 angstroms; (across all 476 pairs:
22.976)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain B (#1) with
fold_dsb_1_chk_2_model_3.cif, chain B (#3), sequence alignment score = 2393.5  
RMSD between 293 pruned atom pairs is 0.667 angstroms; (across all 476 pairs:
18.255)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain B (#1) with
fold_dsb_1_chk_2_model_4.cif, chain B (#2), sequence alignment score = 2387.5  
RMSD between 266 pruned atom pairs is 0.428 angstroms; (across all 476 pairs:
32.072)  
  

> color bychain

> sequence align /B

Alignment identifier is 1  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 1  
Webservices job id: LBXTEHCHG0IHUB1K  
Webservices job finished: LBXTEHCHG0IHUB1K  

> sequence header rmsd show

Chains used in RMSD evaluation for alignment 1: fold_dsb_1_chk_2_model_0.cif
#1/B, fold_dsb_1_chk_2_model_4.cif #2/B, fold_dsb_1_chk_2_model_3.cif #3/B,
fold_dsb_1_chk_2_model_2.cif #4/B, fold_dsb_1_chk_2_model_1.cif #5/B  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 1  

> sequence header conservation hide

Hiding conservation header for alignment 1  

> sequence align /A

Alignment identifier is 2  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 2  
Webservices job id: FM4FCOR4ASUZ530R  
Webservices job finished: FM4FCOR4ASUZ530R  

> sequence header 2 rmsd show

Chains used in RMSD evaluation for alignment 2: fold_dsb_1_chk_2_model_0.cif
#1/A, fold_dsb_1_chk_2_model_4.cif #2/A, fold_dsb_1_chk_2_model_3.cif #3/A,
fold_dsb_1_chk_2_model_2.cif #4/A, fold_dsb_1_chk_2_model_1.cif #5/A  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 2  

> sequence header 2 conservation hide

Hiding conservation header for alignment 2  

> select #1/A:301

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

> select #1/A:301 #2/A:301 #3/A:301 #4/A:301 #5/A:301

35 atoms, 30 bonds, 5 residues, 5 models selected  
Clustal Omega Alignment [ID: 2] region chain A..chain A [301] RMSD: 1.635  
  

> select #1/A:369-370

15 atoms, 14 bonds, 2 residues, 1 model selected  

> select #1/A:369-382 #2/A:369-382 #3/A:369-382 #4/A:369-382 #5/A:369-382

500 atoms, 505 bonds, 70 residues, 5 models selected  
Clustal Omega Alignment [ID: 2] region chain A..chain A [369-382] RMSD: 0.597  
  

> select #1/A:301

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

> select #1/A:301-302 #2/A:301-302 #3/A:301-302 #4/A:301-302 #5/A:301-302

80 atoms, 75 bonds, 10 residues, 5 models selected  
Clustal Omega Alignment [ID: 2] region chain A..chain A [301-302] RMSD: 3.351  
  

> show sel atoms

> color sel byhetero

> select add /A:301-302

80 atoms, 75 bonds, 10 residues, 5 models selected  

> select #1/A:369

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

> select #1/A:369-383 #2/A:369-383 #3/A:369-383 #4/A:369-383 #5/A:369-383

540 atoms, 545 bonds, 75 residues, 5 models selected  
Clustal Omega Alignment [ID: 2] region chain A..chain A [369-383] RMSD: 0.678  
  

> mmaker #5,4,3,2/A & sel to #1/A & sel

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain A (#1) with
fold_dsb_1_chk_2_model_4.cif, chain A (#2), sequence alignment score = 70.5  
RMSD between 15 pruned atom pairs is 0.575 angstroms; (across all 15 pairs:
0.575)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain A (#1) with
fold_dsb_1_chk_2_model_3.cif, chain A (#3), sequence alignment score = 70.5  
RMSD between 15 pruned atom pairs is 0.520 angstroms; (across all 15 pairs:
0.520)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain A (#1) with
fold_dsb_1_chk_2_model_2.cif, chain A (#4), sequence alignment score = 70.5  
RMSD between 15 pruned atom pairs is 0.242 angstroms; (across all 15 pairs:
0.242)  
  
Matchmaker fold_dsb_1_chk_2_model_0.cif, chain A (#1) with
fold_dsb_1_chk_2_model_1.cif, chain A (#5), sequence alignment score = 64.5  
RMSD between 15 pruned atom pairs is 0.401 angstroms; (across all 15 pairs:
0.401)  
  

> select #1/B:322-323

19 atoms, 19 bonds, 2 residues, 1 model selected  

> select #1/B:323-338 #2/B:323-338 #3/B:323-338 #4/B:323-338 #5/B:323-338

610 atoms, 610 bonds, 80 residues, 5 models selected  
Clustal Omega Alignment [ID: 1] region chain B..chain B [323-338] RMSD: 5.381  
  

> select #1/B:340

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

> select #1/B:340-455 #2/B:340-455 #3/B:340-455 #4/B:340-455 #5/B:340-455

4675 atoms, 4795 bonds, 580 residues, 5 models selected  
Clustal Omega Alignment [ID: 1] region chain B..chain B [340-455] RMSD: 0.908  
  

> close

> open
> /Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif

Summary of feedback from opening
/Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 53  
Missing entity information. Treating each chain as a separate entity.  
Missing or incorrect sequence information. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' on line 33678  
  
Chain information for
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1  
---  
Chain | Description  
A B | No description available  
C | No description available  
D | No description available  
E | No description available  
J | No description available  
K | No description available  
L | No description available  
  

> clashes

No clashes  

> hide atoms

> show ribbons

> select Mg

4 atoms, 1 bond, 4 residues, 1 model selected  

> show sel atoms

Computing secondary structure  

> color sel orange

> style sel sphere

Changed 4 atom styles  

> select clear

> select /K:21

32 atoms, 33 bonds, 1 residue, 1 model selected  

> select add /J:44

64 atoms, 67 bonds, 2 residues, 1 model selected  

> select add /L:20

96 atoms, 101 bonds, 3 residues, 1 model selected  

> select up

3825 atoms, 4122 bonds, 120 residues, 1 model selected  

> color sel dark gray

> set bgColor white

> select clear

> select /K:30

32 atoms, 34 bonds, 1 residue, 1 model selected  

> select add /L:1

65 atoms, 68 bonds, 2 residues, 1 model selected  

> hide sel cartoons

> show sel atoms

> color sel byhetero

> style sel ball

Changed 65 atom styles  

> select up

1898 atoms, 2036 bonds, 60 residues, 1 model selected  

> select down

65 atoms, 68 bonds, 2 residues, 1 model selected  

> contacts sel intraMol false

63 contacts  

> contacts sel intraMol false select true reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: False
    
    63 contacts
       atom1           atom2       overlap  distance
    /L DT 1 P     /B ARG 115 NH2    0.284    3.227
    /K DA 30 N1   /J DT 31 O2       0.243    2.862
    /K DA 30 N7   /L DT 1 C6        0.204    3.121
    /K DA 30 N3   /A TYR 230 HD2    0.169    2.456
    /L DT 1 C2    /K DA 30 N6       0.155    3.170
    /L DT 1 OP3   /K DA 30 OP2      0.115    2.885
    /L DT 1 O4'   /K DA 30 C5       0.084    3.116
    /L DT 1 H3    /J DA 30 C2       0.084    2.616
    /K DA 30 N3   /A TYR 230 CD2    0.062    3.263
    /L DT 1 N1    /K DA 30 N6       -0.000    3.250
    /L DT 1 O4'   /K DA 30 N7       -0.010    3.135
    /L DT 1 O4'   /K DA 30 C8       -0.025    3.225
    /L DT 1 H3    /J DA 30 H2       -0.046    2.046
    /L DT 1 N1    /K DA 30 C6       -0.054    3.379
    /K DA 30 N6   /L DT 1 N3        -0.059    3.309
    /L DT 1 O4'   /K DA 30 C4       -0.059    3.259
    /K DA 30 C5   /L DT 1 C1'       -0.065    3.465
    /K DA 30 C2   /A TYR 230 H      -0.084    2.784
    /L DT 1 N3    /J DA 30 C2       -0.086    3.411
    /L DT 1 N3    /J DA 30 H2       -0.107    2.732
    /L DT 1 P     /B ARG 115 HH22   -0.110    2.981
    /L DT 1 OP1   /B ARG 115 NH2    -0.119    2.859
    /L DT 1 OP3   /B ARG 115 NH2    -0.120    2.860
    /K DA 30 C5'  /A HIS 259 CG     -0.131    3.531
    /K DA 30 O3'  /H MG 1 MG        -0.136    2.166
    /K DA 30 C5'  /A HIS 259 CB     -0.137    3.537
    /L DT 1 C6    /K DA 30 C5       -0.138    3.538
    /K DA 30 H5'  /A HIS 259 ND1    -0.140    2.780
    /L DT 1 C1'   /K DA 30 C6       -0.172    3.572
    /L DT 1 C6    /K DA 30 N6       -0.175    3.500
    /L DT 1 N1    /K DA 30 C5       -0.177    3.502
    /K DA 30 N7   /L DT 1 H6        -0.180    2.805
    /K DA 30 H5'  /A HIS 259 CG     -0.188    2.888
    /K DA 30 N9   /L DT 1 O4'       -0.202    3.327
    /L DT 1 C5'   /B ARG 115 NH2    -0.216    3.556
    /L DT 1 H5''  /B ARG 115 NH2    -0.229    2.869
    /K DA 30 OP2  /L DT 1 OP2       -0.247    3.247
    /K DA 30 C6   /L DT 1 C2        -0.255    3.655
    /K DA 30 C2   /A TYR 230 HD2    -0.260    2.960
    /K DA 30 H2   /A TYR 230 H      -0.267    2.267
    /K DA 30 H2'  /L DT 1 C4'       -0.275    2.975
    /K DA 30 OP2  /L DT 1 P         -0.275    3.646
    /K DA 30 N6   /L DT 1 C4        -0.276    3.601
    /K DA 30 C2   /J DT 32 O2       -0.296    3.476
    /K DA 30 C2   /A TYR 230 N      -0.303    3.628
    /L DT 1 H5'   /K DA 30 H3'      -0.309    2.309
    /L DT 1 OP1   /B ARG 115 HH22   -0.317    2.417
    /L DT 1 OP1   /B ARG 115 CZ     -0.319    3.519
    /K DA 30 C5'  /A HIS 259 ND1    -0.323    3.663
    /K DA 30 C4'  /A HIS 259 CB     -0.330    3.730
    /K DA 30 H4'  /A HIS 259 HB3    -0.331    2.331
    /L DT 1 C5    /K DA 30 H62      -0.331    3.031
    /K DA 30 C4'  /A HIS 259 HB3    -0.337    3.037
    /L DT 1 C4    /K DA 30 H62      -0.339    3.039
    /L DT 1 C6    /K DA 30 C6       -0.349    3.749
    /K DA 30 N6   /L DT 1 C5        -0.359    3.684
    /K DA 30 N3   /A GLY 229 CA     -0.361    3.686
    /K DA 30 P    /L DT 1 OP3       -0.365    3.736
    /K DA 30 H4'  /A HIS 259 CB     -0.365    3.065
    /L DT 1 C6    /K DA 30 H62      -0.366    3.066
    /K DA 30 N7   /L DT 1 N1        -0.368    3.618
    /K DA 30 C3'  /L DT 1 H5'       -0.384    3.084
    /K DA 30 N3   /A TYR 230 H      -0.396    2.621
    

  
63 contacts  

> select up

228 atoms, 235 bonds, 10 residues, 1 model selected  

> style sel ball

Changed 228 atom styles  

> lighting flat

> color sel byhetero

> show sel cartoons

> nucleotides sel ladder

> nucleotides sel slab

> style nucleic & sel stick

Changed 161 atom styles  

> hide sel cartoons

> select clear

> hide atoms

> show cartoons

> select clear

> show cartoons

> select /A,B:115,230,259

121 atoms, 119 bonds, 6 residues, 1 model selected  

> show sel atoms

> style sel ball

Changed 121 atom styles  

> select clear

[Repeated 1 time(s)]

> hide atoms

[Repeated 1 time(s)]

> show cartoons

> select clear

> select /A,B:115,230,259

121 atoms, 119 bonds, 6 residues, 1 model selected  

> show sel atoms

> color sel byhetero

> style sel sphere

Changed 121 atom styles  

> contacts sel select true reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: True
    
    178 contacts
         atom1            atom2       overlap  distance
    /B ARG 115 NH2   /L DT 1 P         0.284    3.227
    /B ARG 115 CD    /L DT 2 OP2       0.260    2.940
    /B HIS 259 ND1   /B LYS 316 NZ     0.232    3.033
    /B HIS 259 CE1   /J DA 28 O5'      0.199    3.001
    /A TYR 230 HD2   /K DA 30 N3       0.169    2.456
    /A ARG 115 CZ    /A GLN 128 OE1    0.164    3.016
    /B HIS 259 NE2   /J DA 28 P        0.155    3.341
    /A HIS 259 ND1   /A LYS 316 NZ     0.137    3.128
    /B HIS 259 ND1   /B LYS 316 HZ1    0.127    2.513
    /B HIS 259 CE1   /B LYS 316 NZ     0.119    3.206
    /A ARG 115 CD    /J DA 30 OP2      0.111    3.089
    /A HIS 259 ND1   /A LYS 316 HZ1    0.102    2.538
    /A ARG 115 HH12  /J DT 31 C7       0.093    2.607
    /B TYR 230 CD2   /J DA 28 N3       0.091    3.234
    /B ARG 115 NE    /B TYR 119 CE2    0.084    3.241
    /B ARG 115 NE    /B TYR 119 HE2    0.077    2.548
    /A TYR 230 CD2   /K DA 30 N3       0.062    3.263
    /B ARG 115 NH1   /B GLN 128 CD     0.033    3.307
    /B HIS 259 O     /B ILE 263 CD1    0.029    3.151
    /A ARG 115 NH1   /J DT 31 C7       0.026    3.299
    /B TYR 230 CE2   /J DA 28 N3       0.020    3.305
    /A ARG 115 NE    /J DA 30 OP2      0.011    2.714
    /B TYR 230 HD2   /J DA 28 N3       0.008    2.617
    /B ARG 115 CD    /L DT 2 P         -0.010    3.581
    /B HIS 259 CE1   /B LYS 316 HZ3    -0.023    2.723
    /B ARG 115 HD3   /L DT 2 P         -0.045    2.916
    /A ARG 115 NH1   /A GLN 128 OE1    -0.064    2.769
    /B ARG 115 O     /B TYR 118 HB3    -0.076    2.556
    /B ARG 115 HD2   /L DT 2 OP2       -0.076    2.576
    /A TYR 230 H     /K DA 30 C2       -0.084    2.784
    /B ARG 115 HD3   /L DT 2 OP1       -0.085    2.585
    /B ARG 115 C     /B TYR 118 H      -0.086    2.786
    /A ARG 115 C     /A TYR 118 H      -0.086    2.786
    /A ARG 115 NH1   /J DA 30 C8       -0.089    3.414
    /A ARG 115 CD    /A TYR 119 HE2    -0.089    2.789
    /B ARG 115 NH1   /B GLN 128 HB2    -0.089    2.729
    /A ARG 115 HH12  /J DT 31 H71      -0.096    2.096
    /A HIS 259 O     /A ILE 263 CD1    -0.098    3.278
    /A ARG 115 O     /A TYR 118 HB3    -0.105    2.585
    /B ARG 115 NH2   /B TYR 119 OH     -0.105    2.845
    /B HIS 259 O     /B ILE 263 HD12   -0.105    2.585
    /A ARG 115 HG3   /A GLN 128 CD     -0.106    2.806
    /B HIS 259 CD2   /J DA 28 O5'      -0.107    3.307
    /B ARG 115 HH22  /L DT 1 P         -0.110    2.981
    /B HIS 259 CG    /B LYS 316 HZ1    -0.111    2.811
    /A ARG 115 CD    /J DA 30 P        -0.119    3.690
    /B ARG 115 NH2   /L DT 1 OP1       -0.119    2.859
    /A ARG 115 CZ    /J DA 30 OP2      -0.120    3.320
    /B ARG 115 NH2   /L DT 1 OP3       -0.120    2.860
    /A TYR 230 HD1   /A PRO 231 HD2    -0.122    2.122
    /B ARG 115 HD3   /L DT 2 OP2       -0.127    2.627
    /A TYR 230 OH    /A GLU 262 OE1    -0.128    2.708
    /B ARG 115 NH2   /B TYR 119 CZ     -0.128    3.468
    /A HIS 259 CG    /K DA 30 C5'      -0.131    3.531
    /A ARG 115 HG3   /A GLN 128 NE2    -0.132    2.757
    /B ARG 115 NH1   /B TYR 118 CD2    -0.135    3.475
    /A HIS 259 CB    /K DA 30 C5'      -0.137    3.537
    /A ARG 115 HB2   /J DT 31 OP2      -0.138    2.638
    /B HIS 259 NE2   /J DA 28 O5'      -0.138    2.863
    /B ARG 115 HE    /B TYR 119 HE2    -0.140    2.140
    /A HIS 259 ND1   /K DA 30 H5'      -0.140    2.780
    /B TYR 230 OH    /B GLU 262 OE1    -0.145    2.725
    /B TYR 230 HE2   /J DA 28 N3       -0.145    2.770
    /A ARG 115 HD3   /A TYR 119 HE2    -0.148    2.148
    /B HIS 259 O     /B ILE 263 CG1    -0.149    3.329
    /A HIS 259 HB2   /A ASP 257 OD2    -0.156    2.636
    /A ARG 115 CD    /A TYR 119 CE2    -0.158    3.558
    /B HIS 259 HE2   /J DA 28 P        -0.167    3.038
    /A ARG 115 HD3   /J DA 30 OP2      -0.170    2.670
    /A TYR 230 CB    /A PRO 231 HD2    -0.178    2.878
    /A ARG 115 HE    /A TYR 119 OH     -0.187    2.287
    /A HIS 259 CG    /K DA 30 H5'      -0.188    2.888
    /A ARG 115 NH1   /A GLN 128 CD     -0.189    3.514
    /B ARG 115 NH1   /B GLN 128 OE1    -0.190    2.910
    /A ARG 115 NH1   /J DA 30 H3'      -0.194    2.819
    /B HIS 259 CE1   /B LYS 316 HZ1    -0.197    2.897
    /B HIS 259 CE1   /J DA 28 P        -0.201    3.772
    /B ARG 115 HE    /B TYR 119 CE2    -0.201    2.901
    /A HIS 259 CE1   /A LYS 316 NZ     -0.207    3.532
    /A ARG 115 NH1   /J DT 31 H71      -0.208    2.833
    /B HIS 259 NE2   /J DA 28 OP1      -0.208    2.933
    /B ARG 115 NH1   /B GLN 128 CB     -0.212    3.552
    /B ARG 115 O     /B TYR 118 CB     -0.212    3.392
    /A ARG 115 HE    /A TYR 119 CZ     -0.214    2.914
    /B ARG 115 NH2   /L DT 1 C5'       -0.216    3.556
    /A TYR 230 HD1   /A PRO 231 CD     -0.221    2.921
    /A TYR 230 CD1   /A PRO 231 HD2    -0.225    2.925
    /A ARG 115 O     /A TYR 119 CD2    -0.225    3.405
    /B ARG 115 NH2   /L DT 1 H5''      -0.229    2.869
    /B TYR 230 HE2   /J DA 28 H1'      -0.229    2.229
    /B ARG 115 C     /B TYR 118 N      -0.237    3.562
    /B HIS 259 O     /B ILE 263 HG13   -0.239    2.719
    /A ARG 115 NE    /A TYR 119 CE2    -0.244    3.569
    /B HIS 259 ND1   /J DA 28 C4'      -0.248    3.588
    /A HIS 259 O     /A ILE 263 CG1    -0.248    3.428
    /A TYR 230 HB3   /A PRO 231 CD     -0.250    2.950
    /A ARG 115 O     /A TYR 118 CB     -0.256    3.436
    /B ARG 115 NH1   /B TYR 118 CE2    -0.256    3.596
    /B HIS 259 ND1   /B LYS 316 HZ3    -0.258    2.898
    /A ARG 115 HE    /A TYR 119 CE2    -0.259    2.959
    /A TYR 230 HD2   /K DA 30 C2       -0.260    2.960
    /B ARG 115 HB3   /A THR 205 CG2    -0.260    2.960
    /B HIS 259 CG    /B LYS 316 NZ     -0.261    3.586
    /A ARG 115 NE    /J DA 30 P        -0.261    3.757
    /A ARG 115 CG    /A GLN 128 NE2    -0.266    3.591
    /A ARG 115 O     /A TYR 118 H      -0.267    2.347
    /A TYR 230 H     /K DA 30 H2       -0.267    2.267
    /A ARG 115 HD2   /J DT 31 OP2      -0.270    2.770
    /A ARG 115 C     /A TYR 118 N      -0.281    3.606
    /B HIS 259 HE2   /J DA 28 OP1      -0.283    2.383
    /A HIS 259 O     /A ILE 263 HD12   -0.284    2.764
    /A HIS 259 ND1   /A LYS 316 HZ3    -0.284    2.924
    /B HIS 259 CE1   /J DA 28 O4'      -0.285    3.485
    /B ARG 115 O     /B TYR 118 N      -0.285    2.990
    /A HIS 259 O     /A ILE 263 HG13   -0.287    2.767
    /A ARG 115 HG2   /A TYR 119 CE2    -0.287    2.987
    /B TYR 230 CB    /L DT 4 H1'       -0.288    2.988
    /B ARG 115 CZ    /B TYR 119 CE2    -0.288    3.689
    /A ARG 115 HB3   /B THR 205 CG2    -0.289    2.989
    /A TYR 230 CD1   /A ILE 263 HG12   -0.291    2.991
    /A ARG 115 HH11  /J DA 30 H3'      -0.294    2.294
    /B ARG 115 C     /B LEU 117 H      -0.294    2.994
    /A ARG 115 HB3   /B THR 205 HG21   -0.295    2.295
    /A ARG 115 CB    /J DT 31 OP2      -0.297    3.497
    /A TYR 230 CD1   /A PRO 231 CD     -0.299    3.699
    /B ARG 115 CD    /L DT 2 OP1       -0.300    3.500
    /B ARG 115 HG2   /B TYR 119 CE2    -0.302    3.002
    /B TYR 230 CD2   /J DA 28 C2       -0.303    3.703
    /B ARG 115 CG    /B TYR 119 CE2    -0.303    3.703
    /A TYR 230 N     /K DA 30 C2       -0.303    3.628
    /B TYR 230 O     /B GLY 229 O      -0.307    3.267
    /A ARG 115 HH11  /J DT 31 OP2      -0.308    2.408
    /A TYR 230 CD1   /A ILE 263 CG1    -0.310    3.710
    /B ARG 115 HB3   /A THR 205 HG21   -0.312    2.312
    /A TYR 230 CE1   /A ILE 263 CG1    -0.312    3.712
    /A ARG 115 HD3   /J DA 30 P        -0.313    3.184
    /A ARG 115 CD    /J DA 30 O5'      -0.313    3.513
    /B ARG 115 O     /B TYR 118 H      -0.315    2.395
    /A ARG 115 CG    /A TYR 119 CE2    -0.316    3.716
    /B ARG 115 HH22  /L DT 1 OP1       -0.317    2.417
    /B ARG 115 CZ    /L DT 1 OP1       -0.319    3.519
    /A ARG 115 NH1   /A GLN 128 NE2    -0.322    3.572
    /A HIS 259 ND1   /K DA 30 C5'      -0.323    3.663
    /A ARG 115 O     /A TYR 118 N      -0.324    3.029
    /A ARG 115 C     /A LEU 117 H      -0.326    3.026
    /A ARG 115 HD3   /A TYR 119 CE2    -0.327    3.027
    /A HIS 259 CB    /K DA 30 C4'      -0.330    3.730
    /A HIS 259 HB3   /K DA 30 H4'      -0.331    2.331
    /A TYR 230 HB3   /A PRO 231 HD2    -0.333    2.333
    /A HIS 259 HB3   /K DA 30 C4'      -0.337    3.037
    /B HIS 259 HB2   /B ASP 257 OD2    -0.338    2.818
    /B ARG 115 O     /B TYR 119 H      -0.345    2.425
    /B TYR 230 HD2   /J DA 28 C2       -0.345    3.045
    /A ARG 115 HH12  /J DA 30 C8       -0.348    3.048
    /A HIS 259 CE1   /A LYS 316 HZ3    -0.348    3.048
    /B ARG 115 NH1   /B GLN 128 CG     -0.352    3.692
    /B ARG 115 HG2   /B TYR 119 CD2    -0.353    3.053
    /A ARG 115 NE    /A TYR 119 HE2    -0.354    2.979
    /B TYR 230 HA    /B PRO 231 HD3    -0.357    2.357
    /A HIS 259 CB    /A ASP 257 OD2    -0.358    3.538
    /B TYR 230 CE2   /J DA 28 H1'      -0.362    3.062
    /B ARG 115 O     /B TYR 118 CA     -0.363    3.543
    /A ARG 115 CG    /A GLN 128 CD     -0.365    3.765
    /A HIS 259 CB    /K DA 30 H4'      -0.365    3.065
    /B ARG 115 O     /B TYR 119 HD2    -0.370    2.850
    /B TYR 230 CB    /L DT 4 C1'       -0.376    3.776
    /A HIS 259 CE1   /K DA 29 H4'      -0.378    3.078
    /B ARG 115 CZ    /B TYR 119 OH     -0.380    3.580
    /A HIS 259 N     /A ASP 257 CG     -0.381    3.706
    /B HIS 259 CD2   /J DA 28 OP1      -0.383    3.583
    /A ARG 115 O     /A TYR 119 HD2    -0.385    2.865
    /A ARG 115 NH1   /J DA 30 C3'      -0.389    3.714
    /B ARG 115 O     /B TYR 119 CD2    -0.391    3.571
    /B ARG 115 NE    /L DT 2 P         -0.393    3.889
    /A ARG 115 NE    /A TYR 119 CZ     -0.394    3.719
    /B TYR 230 HD1   /B PRO 231 HD2    -0.395    2.395
    /A TYR 230 H     /K DA 30 N3       -0.396    2.621
    /A HIS 259 H     /A ASP 257 C      -0.396    3.096
    

  
178 contacts  

> color sel byhetero

> select up

733 atoms, 740 bonds, 35 residues, 1 model selected  

> color sel byhetero

> style sel ball

Changed 733 atom styles  

> nucleotides sel tube/slab shape muffler

> open
> /Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif

Summary of feedback from opening
/Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 53  
Missing entity information. Treating each chain as a separate entity.  
Missing or incorrect sequence information. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' on line 33680  
  
Chain information for
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2  
---  
Chain | Description  
A B | No description available  
C | No description available  
D | No description available  
E | No description available  
J | No description available  
K | No description available  
L | No description available  
  

> open
> /Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif

Summary of feedback from opening
/Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 53  
Missing entity information. Treating each chain as a separate entity.  
Missing or incorrect sequence information. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' on line 33675  
  
Chain information for
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3  
---  
Chain | Description  
A B | No description available  
C | No description available  
D | No description available  
E | No description available  
J | No description available  
K | No description available  
L | No description available  
  

> open
> /Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif

Summary of feedback from opening
/Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 53  
Missing entity information. Treating each chain as a separate entity.  
Missing or incorrect sequence information. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' on line 33674  
  
Chain information for
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4  
---  
Chain | Description  
A B | No description available  
C | No description available  
D | No description available  
E | No description available  
J | No description available  
K | No description available  
L | No description available  
  

> open
> /Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif

Summary of feedback from opening
/Users/pcarlton/dsb123split/fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 53  
Missing entity information. Treating each chain as a separate entity.  
Missing or incorrect sequence information. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' on line 33680  
  
Chain information for
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5  
---  
Chain | Description  
A B | No description available  
C | No description available  
D | No description available  
E | No description available  
J | No description available  
K | No description available  
L | No description available  
  

> hide sel atoms

[Repeated 1 time(s)]

> select #3/C:138@H

1 atom, 1 residue, 1 model selected  

> select clear

> hide atoms

> show cartoons

Computing secondary structure  
[Repeated 3 time(s)]

> mmaker #5,4,3,2/A to #1/A

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif, chain A
(#1) with fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif, chain A
(#5), sequence alignment score = 2085.4  
RMSD between 329 pruned atom pairs is 0.414 angstroms; (across all 425 pairs:
23.380)  
  
Matchmaker fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif, chain A
(#1) with fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif, chain A
(#4), sequence alignment score = 2019.4  
RMSD between 317 pruned atom pairs is 0.430 angstroms; (across all 425 pairs:
24.391)  
  
Matchmaker fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif, chain A
(#1) with fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif, chain A
(#3), sequence alignment score = 2032.6  
RMSD between 336 pruned atom pairs is 0.348 angstroms; (across all 425 pairs:
34.779)  
  
Matchmaker fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif, chain A
(#1) with fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif, chain A
(#2), sequence alignment score = 2059  
RMSD between 334 pruned atom pairs is 0.363 angstroms; (across all 425 pairs:
34.100)  
  

> mmaker #5,4,3,2/A,B to #1/A,B pairing bs

Specify a single 'to' chain only  

> mmaker #5,4,3,2/A,B to #1/A,B pairing ss

Different number of reference/match chains (2 ref, 8 match)  

> select clear

[Repeated 1 time(s)]

> color bychain

> sequence align /A /B

Alignment identifier is 1  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 1  
Webservices job id: HYO909XY9PEP5EGN  
Webservices job finished: HYO909XY9PEP5EGN  

> sequence header conservation hide

Hiding conservation header for alignment 1  

> sequence header rmsd show

Chains used in RMSD evaluation for alignment 1:
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/B,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/B,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/B,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/B,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/B  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 1  

> select #1/A:369-370

28 atoms, 27 bonds, 2 residues, 1 model selected  

> select #1/A-B:232-370 #2/A-B:232-370 #3/A-B:232-370 #4/A-B:232-370
> #5/A-B:232-370

23000 atoms, 23280 bonds, 26 pseudobonds, 1390 residues, 6 models selected  

> select #1/A-B:231-370 #2/A-B:231-370 #3/A-B:231-370 #4/A-B:231-370
> #5/A-B:231-370

23140 atoms, 23430 bonds, 26 pseudobonds, 1400 residues, 6 models selected  
Clustal Omega Alignment [ID: 1] region chain A..chain B [231-370] RMSD: 0.559  
  

> select #1/A:37

12 atoms, 11 bonds, 1 residue, 1 model selected  

> select #1/A-B:37-161 #2/A-B:37-161 #3/A-B:37-161 #4/A-B:37-161 #5/A-B:37-161

20696 atoms, 20826 bonds, 58 pseudobonds, 1250 residues, 6 models selected  
Clustal Omega Alignment [ID: 1] region chain A..chain B [37-161] RMSD: 0.557  
  

> select /A,B:37-368

54486 atoms, 54996 bonds, 103 pseudobonds, 3320 residues, 6 models selected  

> sequence chain #1/A,B#2/A,B#3/A,B#4/A,B#5/A,B

Alignment identifier is 2  

> select up

60496 atoms, 61081 bonds, 103 pseudobonds, 3722 residues, 6 models selected  

> select down

54486 atoms, 54996 bonds, 103 pseudobonds, 3320 residues, 6 models selected  

> select clear

[Repeated 1 time(s)]

> sequence align /J

Must specify 2 or more protein sequences  

> sequence align /C

Alignment identifier is 2  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 2  
Webservices job id: 3GJNJYHZ4M8OOQXK  
Webservices job finished: 3GJNJYHZ4M8OOQXK  

> sequence header 2 conservation hide

Hiding conservation header for alignment 2  

> sequence header 2 rmsd show

Chains used in RMSD evaluation for alignment 2:
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 2  

> select #1/C:121

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #1/C:121-132 #2/C:121-132 #3/C:121-132 #4/C:121-132 #5/C:121-132

1055 atoms, 1065 bonds, 60 residues, 5 models selected  
Clustal Omega Alignment [ID: 2] region chain C..chain C [121-132] RMSD: 0.808  
  

> color sel orange red

> select add #4/C:120

1069 atoms, 1078 bonds, 61 residues, 5 models selected  
Drag select of 6 residues  
Drag select of 7 residues  

> select up

1561 atoms, 1574 bonds, 95 residues, 5 models selected  

> select down

1083 atoms, 1078 bonds, 62 residues, 5 models selected  

> color sel orange red

> color sel cornflower blue

> select #1/C:120

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #1/C:120-134 #2/C:120-134 #3/C:120-134 #4/C:120-134 #5/C:120-134

1195 atoms, 1205 bonds, 75 residues, 5 models selected  
Clustal Omega Alignment [ID: 2] region chain C..chain C [120-134] RMSD: 1.293  
  

> color sel cornflower blue

> contacts sel intraMol false interModel false select true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: False
    
    161 contacts
                                       atom1                                                                       atom2                                     overlap  distance
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 125 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ALA 86 O      0.129    2.351
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 125 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ALA 86 O      0.114    2.366
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 125 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ALA 86 O      0.106    2.374
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 125 CE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ALA 86 O      0.101    3.079
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 125 CE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ALA 86 O      0.079    3.101
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 125 CE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ALA 86 O      0.074    3.106
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 125 CE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 86 O      0.055    3.125
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C ASN 120 C     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A MET 62 CE     0.048    3.352
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TRP 124 CZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LEU 92 CD2    0.047    3.353
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C ASN 120 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A MET 62 CE     0.046    3.134
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 125 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 86 O      0.046    2.434
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TRP 124 HH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A THR 85 C      0.030    2.670
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TRP 124 HH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A THR 85 C      0.027    2.673
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASN 120 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A MET 62 CE     0.011    3.389
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TRP 124 CZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LEU 92 CD2    0.001    3.399
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TRP 124 CZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LEU 92 CD2    -0.026    3.426
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TRP 124 HH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A THR 85 O      -0.037    2.517
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TRP 124 CZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A LEU 92 CD2    -0.052    3.452
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C THR 121 CG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ASP 93 OD1    -0.070    3.250
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C THR 121 HG21  fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ASP 93 OD1    -0.073    2.553
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C THR 121 CG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ASP 93 OD1    -0.092    3.272
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TRP 124 HH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A THR 85 C      -0.094    2.794
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TRP 124 CH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A THR 85 C      -0.098    3.498
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C THR 121 OG1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ASP 93 OD1    -0.103    2.683
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TRP 124 HH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A THR 85 C      -0.117    2.817
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C VAL 128 CG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 66 O      -0.118    3.298
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 125 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 89 HD2    -0.132    2.832
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TRP 124 CH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A THR 85 O      -0.152    3.332
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 125 CE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ALA 86 O      -0.153    3.333
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TRP 124 CZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A LEU 92 CD2    -0.170    3.570
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TRP 124 HH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 86 N      -0.195    2.820
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TRP 124 HZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LEU 92 CD2    -0.220    2.920
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASP 122 OD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 89 CE     -0.226    3.406
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 125 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 89 HD2    -0.244    2.944
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASN 120 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A MET 62 SD     -0.263    3.525
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TRP 124 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A MET 62 HA     -0.270    2.970
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C ASN 120 C     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A MET 62 HE1    -0.272    2.972
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C THR 121 OG1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ASP 93 OD1    -0.273    2.853
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C THR 121 HG1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ASP 93 OD1    -0.282    2.362
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C ASN 120 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A MET 62 HE2    -0.282    2.762
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C ASN 120 C     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A MET 62 HE1    -0.287    2.987
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TRP 124 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 66 O      -0.292    2.372
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C VAL 128 HG22  fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 66 O      -0.292    2.772
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TRP 124 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A MET 62 HA     -0.293    2.993
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TRP 124 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 66 O      -0.294    2.374
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C ASP 122 OD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LYS 89 HZ3    -0.295    2.375
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C ASP 122 OD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A LYS 89 HZ1    -0.295    2.375
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASN 120 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A MET 62 HE1    -0.301    3.001
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TRP 124 HH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A THR 85 O      -0.303    2.783
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C VAL 128 CG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 66 O      -0.307    3.487
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 125 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A LYS 89 HD2    -0.310    3.010
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASN 120 HD22  fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 59 HG3    -0.310    2.310
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 125 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 89 HD2    -0.313    2.313
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C THR 121 CA    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A MET 62 SD     -0.315    3.797
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TRP 124 CH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A THR 85 O      -0.315    3.495
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TRP 124 CZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A LEU 92 HD23   -0.317    3.017
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TRP 124 CZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LEU 92 HD23   -0.317    3.017
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TRP 124 CZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LEU 92 HD23   -0.320    3.020
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TRP 124 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 66 O      -0.324    2.404
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TRP 124 CZ2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LEU 69 HG     -0.326    3.026
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C ASN 120 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A MET 62 SD     -0.326    3.808
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 125 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 89 CD     -0.327    3.727
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASN 120 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A MET 62 SD     -0.328    3.810
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 125 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ALA 86 O      -0.329    3.509
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C THR 121 N     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A MET 62 CE     -0.330    3.655
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TRP 124 CZ2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A LEU 69 CG     -0.331    3.731
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C THR 121 OG1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ASP 93 OD1    -0.332    2.912
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 125 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 86 HB1    -0.332    3.032
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C THR 121 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LYS 89 CE     -0.339    3.519
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C THR 121 HA    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A MET 62 SD     -0.340    3.122
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C THR 121 HA    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A MET 62 CE     -0.341    3.041
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 125 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LYS 89 CE     -0.341    3.741
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 125 CG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A LYS 89 CD     -0.341    3.741
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASN 120 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A MET 62 CE     -0.343    3.043
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TRP 124 CZ2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LEU 69 CG     -0.344    3.744
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C VAL 128 HG21  fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 66 O      -0.345    2.825
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TRP 124 CH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 86 CA     -0.350    3.750
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C ASN 120 N     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A MET 62 HE1    -0.352    2.977
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 125 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 86 C      -0.352    3.052
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TRP 124 CZ2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A LEU 69 CG     -0.352    3.752
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C THR 121 CG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ASP 93 OD1    -0.362    3.542
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C THR 121 CA    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A MET 62 CE     -0.362    3.762
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C THR 121 N     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A MET 62 CE     -0.364    3.689
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 125 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A LYS 89 HD2    -0.367    3.067
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C THR 121 HG1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ASP 93 OD1    -0.369    2.449
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 125 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ALA 86 C      -0.370    3.070
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C VAL 128 CG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 66 O      -0.370    3.550
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C ASP 122 OD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LYS 89 CE     -0.370    3.550
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASP 122 OD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 89 NZ     -0.371    3.076
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C THR 121 CG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LEU 96 CD1    -0.373    3.773
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TRP 124 NE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 66 O      -0.373    3.078
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 125 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LYS 89 CD     -0.374    3.774
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TRP 124 NE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 66 O      -0.378    3.083
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASN 120 HB3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A MET 62 SD     -0.379    3.161
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 125 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LYS 89 CD     -0.381    3.781
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TRP 124 CH2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ALA 86 HA     -0.383    3.083
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 125 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ALA 86 HB1    -0.385    3.085
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TRP 124 CZ2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LEU 69 CG     -0.387    3.787
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C THR 121 HA    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A MET 62 HE3    -0.388    2.388
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 125 CG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LYS 89 CE     -0.388    3.788
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C THR 121 HG22  fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A LEU 92 CD2    -0.388    3.088
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 125 CG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A LYS 89 CD     -0.388    3.788
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C THR 121 CG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A MET 62 CE     -0.389    3.789
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C ASN 120 HB3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A MET 62 CE     -0.391    3.091
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TRP 124 HZ3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LEU 92 HD23   -0.395    2.395
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C ASP 122 OD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A LYS 89 NZ     -0.395    3.100
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 125 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LYS 89 CD     -0.396    3.796
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C VAL 128 CG1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ALA 86 HB2    -0.396    3.096
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASP 122 OD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 89 HE3    -0.397    2.877
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C THR 121 CG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A MET 62 CE     -0.397    3.797
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ASN 120 ND2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 59 CE     -0.398    3.723
    

  
161 contacts  

> sequence chain #1/A#2/A#3/A#4/A#5/A

Alignment identifier is 3  

> sequence chain #1/C#2/C#3/C#4/C#5/C

Alignment identifier is 4  

> select up

1142 atoms, 1111 bonds, 69 residues, 5 models selected  

> select down

193 atoms, 69 residues, 5 models selected  

> show sel atoms

> color sel byhetero

> style sel ball

Changed 193 atom styles  

> view sel

> select up

1142 atoms, 1111 bonds, 69 residues, 5 models selected  

> style sel ball

Changed 1142 atom styles  

> show sel atoms

> color sel byhetero

> select #1/C:102

20 atoms, 20 bonds, 1 residue, 1 model selected  

> select #1/C:102-111 #2/C:102-111 #3/C:102-111 #4/C:102-111 #5/C:102-111

810 atoms, 820 bonds, 50 residues, 5 models selected  
Clustal Omega Alignment [ID: 2] region chain C..chain C [102-111] RMSD: 0.819  
  

> view

> view sel

> contacts sel intraMol false interModel false select true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: False
    
    235 contacts
                                       atom1                                                                       atom2                                     overlap  distance
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 CB     0.229    2.971
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A PHE 53 CB     0.209    2.991
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ILE 105 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A PHE 53 HD2    0.187    2.293
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 NZ    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/B GLU 413 CD    0.182    3.143
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 104 HE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ILE 73 O      0.177    2.303
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 104 HE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ILE 73 O      0.175    2.305
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A PHE 53 CB     0.174    3.026
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A PHE 53 CB     0.172    3.028
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 HE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ILE 73 O      0.169    2.311
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A PHE 53 CB     0.168    3.032
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 104 HD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ARG 49 NH2    0.154    2.471
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 HD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ARG 49 NH2    0.151    2.474
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 HE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ILE 73 O      0.139    2.341
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C LYS 111 CE    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 107 OE1   0.122    3.058
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 HD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ARG 49 NH2    0.113    2.512
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C ILE 105 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A PHE 53 HD2    0.112    2.368
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 104 HD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ARG 49 NH2    0.112    2.513
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 HD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ARG 49 NH2    0.100    2.525
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 HE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ILE 73 O      0.083    2.397
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C ILE 105 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A PHE 53 HD2    0.074    2.406
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C SER 106 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 OE1    0.045    3.135
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 CD    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 56 CB     0.042    3.358
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 104 CE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ILE 73 O      0.039    3.141
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 104 CE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ILE 73 O      0.036    3.144
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 HZ1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/B GLU 413 CD    0.034    2.666
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C SER 106 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 52 OE1    0.023    3.157
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 CE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ILE 73 O      0.021    3.159
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C LYS 111 HZ1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 107 CD    0.011    2.689
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C ILE 105 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A PHE 53 CD2    0.000    3.180
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 CE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ILE 73 O      -0.003    3.183
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C GLU 107 OE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ALA 56 CB     -0.024    3.204
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C ILE 105 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A PHE 53 CD2    -0.025    3.205
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 52 HB3    -0.027    2.507
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 OE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ALA 56 HB1    -0.028    2.508
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 104 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ARG 49 NH2    -0.030    3.355
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 HB3    -0.030    2.510
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 HE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 107 OE1   -0.033    2.513
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 52 CB     -0.034    3.214
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 HZ1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 107 CD    -0.037    2.737
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 HB3    -0.050    2.530
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C LYS 111 HZ1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 107 CD    -0.050    2.750
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 HB3    -0.050    2.530
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A PHE 53 HB3    -0.055    2.555
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 HB3    -0.056    2.536
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 NZ    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 107 CD    -0.061    3.386
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 OE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ALA 56 CB     -0.061    3.241
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 CB     -0.068    3.248
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 HE3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/B GLU 413 OE2   -0.071    2.551
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 CE    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 107 OE1   -0.073    3.253
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ARG 49 NH2    -0.076    3.401
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 HB3    -0.077    2.577
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A PHE 53 HB3    -0.077    2.577
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 HH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 CB     -0.077    2.777
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C ILE 105 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 HD2    -0.079    2.559
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 HB2    -0.083    2.583
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 52 OE1    -0.085    2.565
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 OE1    -0.089    2.569
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A PHE 53 HB3    -0.091    2.591
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 CB     -0.091    2.791
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C ILE 105 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A PHE 53 CD2    -0.094    3.274
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C GLU 107 OE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ALA 56 HB1    -0.094    2.574
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 CB     -0.100    3.280
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C SER 106 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 OE1    -0.104    3.284
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C THR 108 HG23  fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A TYR 103 OH    -0.104    2.604
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 CD    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 56 HB1    -0.105    2.805
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C SER 106 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 OE1    -0.110    3.290
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C ILE 105 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A PHE 53 HD2    -0.111    2.591
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 CB     -0.113    3.293
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 104 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ARG 49 NH2    -0.114    3.439
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C THR 108 HG23  fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A TYR 103 OH    -0.114    2.614
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A PHE 53 HB3    -0.114    2.614
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LYS 50 HA     -0.115    2.615
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 CG     -0.119    3.299
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ARG 49 NH2    -0.122    3.447
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 CE    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/B GLU 413 CD    -0.130    3.530
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C GLU 107 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ALA 56 CB     -0.131    2.831
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 CB     -0.132    2.832
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 50 HA     -0.133    2.633
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 52 CB     -0.135    2.835
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C GLU 107 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ALA 56 CB     -0.140    2.840
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C LYS 111 NZ    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/D ASN 259 O     -0.140    2.845
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 CB     -0.142    2.842
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C SER 106 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 OE1    -0.150    3.330
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 CB     -0.152    2.852
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C LYS 111 CE    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 107 CD    -0.153    3.553
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 CE    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/B GLU 413 OE2   -0.156    3.336
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A PHE 53 HB2    -0.159    2.659
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 OE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 56 CB     -0.172    3.352
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C LYS 111 NZ    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 107 CD    -0.175    3.500
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 52 CG     -0.175    3.355
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 H     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 52 HB3    -0.177    2.177
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 H     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 HB3    -0.188    2.188
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C GLU 107 H     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 HB3    -0.192    2.192
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C SER 106 OG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 OE1    -0.199    2.779
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A PHE 53 HB2    -0.200    2.700
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C LYS 111 CE    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 107 OE2   -0.200    3.380
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C PRO 109 HG2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A TYR 103 CE2   -0.202    2.902
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C GLU 107 H     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 HB3    -0.203    2.203
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 CZ    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 CB     -0.204    3.604
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A PHE 53 HB2    -0.212    2.712
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 HH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A PHE 53 CB     -0.216    2.916
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 HH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 HB3    -0.217    2.217
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 HG2    -0.217    2.697
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A PHE 53 HB2    -0.222    2.722
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C ILE 105 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 CD2    -0.238    3.418
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ARG 49 NH2    -0.244    2.949
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 CG     -0.245    3.425
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ARG 49 HB3    -0.256    2.256
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C PRO 109 HG3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LEU 55 CD1    -0.270    2.970
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C LYS 111 HZ1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 107 OE1   -0.275    2.355
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 CG     -0.280    3.460
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C LYS 111 HE3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 107 OE2   -0.282    2.762
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 OE1    -0.282    2.762
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 104 HH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ILE 73 O      -0.285    2.365
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C SER 106 HG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 OE1    -0.290    2.370
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 OE1    -0.296    2.776
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C SER 106 HG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 OE1    -0.299    2.379
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 HH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A PHE 53 CB     -0.307    3.007
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C SER 106 OG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 OE1    -0.307    2.887
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ARG 49 NH2    -0.315    3.020
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A LYS 50 CA     -0.316    3.516
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 HB2    -0.316    2.316
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 104 HH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A PHE 53 HB3    -0.317    2.317
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ARG 49 HB3    -0.318    2.318
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C SER 106 OG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 OE1    -0.320    2.900
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    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 HH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ILE 73 O      -0.323    2.403
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A PHE 53 CG     -0.323    3.523
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 CE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 CG     -0.324    3.724
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C PRO 109 CD    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 HG2    -0.324    3.024
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C PRO 109 CG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A TYR 103 CE2   -0.326    3.726
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 CE    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/B GLU 413 OE1   -0.330    3.510
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ALA 56 CB     -0.331    3.031
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 N     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 52 HB3    -0.333    2.958
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 O      -0.333    3.293
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C LYS 111 HZ2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/D ASN 259 O     -0.333    2.413
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 OE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 56 CB     -0.339    3.519
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C SER 106 OG    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 52 OE1    -0.339    2.919
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C PRO 109 CD    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 HG2    -0.339    3.039
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C GLU 107 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A ALA 56 HB2    -0.340    2.340
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C GLU 107 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ALA 56 HB2    -0.341    2.341
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 CD    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ALA 56 HB1    -0.341    3.041
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C PRO 109 HD3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 HG2    -0.343    2.343
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ARG 49 NH2    -0.343    3.048
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 HE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ARG 49 HB3    -0.344    2.344
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 CG     -0.345    3.525
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 HD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ARG 49 CZ     -0.347    3.047
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C LYS 111 CE    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 107 CD    -0.349    3.749
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 CZ    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A PHE 53 HB2    -0.349    3.049
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C GLU 107 OE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ALA 56 CB     -0.352    3.532
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C PRO 109 CD    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A TYR 103 CZ    -0.352    3.752
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C PRO 109 CD    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A TYR 103 OH    -0.352    3.552
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A PHE 53 CG     -0.353    3.553
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C SER 106 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 CB     -0.355    3.755
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 HD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ARG 49 HH21   -0.355    2.355
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C GLU 107 OE1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ALA 56 HB1    -0.356    2.836
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C GLU 107 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ALA 56 HB2    -0.357    2.357
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 HH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A PHE 53 HB3    -0.358    2.358
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A LYS 50 CA     -0.359    3.559
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C PRO 109 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A HIS 100 HE1   -0.361    2.361
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 CE    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 107 OE2   -0.362    3.542
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 HD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A ARG 49 CZ     -0.362    3.062
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 HB3    -0.363    2.363
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A PHE 53 CG     -0.366    3.566
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C TYR 104 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A ARG 49 HH21   -0.366    2.446
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 CD1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ARG 49 CZ     -0.369    3.769
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C PRO 109 HG3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A LEU 55 CD1    -0.370    3.070
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C SER 106 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 CB     -0.375    3.775
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C LYS 111 HZ1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 107 CD    -0.376    3.076
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C PRO 109 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A LEU 55 HD13   -0.378    3.078
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 HE2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A GLU 107 CD    -0.379    3.079
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C PRO 109 HD3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 HG2    -0.381    2.381
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/A GLU 52 HG2    -0.385    2.865
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 OH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ARG 49 C      -0.385    3.585
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C LYS 111 HZ1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/B SER 410 HG    -0.385    2.385
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C TYR 104 HH    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A ILE 73 O      -0.386    2.466
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/C SER 106 CB    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/A GLU 52 CB     -0.387    3.787
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/C LYS 111 HZ1   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/D ASN 259 O     -0.388    2.468
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/C SER 106 HB2   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/A GLU 52 HB2    -0.389    2.389
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C GLU 107 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 52 HG2    -0.389    2.869
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/C TYR 104 O     fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/A ARG 49 HH21   -0.389    2.469
    fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/C LYS 111 HE3   fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/A GLU 107 CD    -0.390    3.090
[deleted to fit within ticket limits]

> sequence header 2 conservation hide

Hiding conservation header for alignment 2  

> sequence header 1 rmsd show

Chains used in RMSD evaluation for alignment 1:
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_0.um.cif #7/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_1.um.cif #8/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_2.um.cif #9/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_3.um.cif #10/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_4.um.cif #11/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_0.um.cif #12/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_1.um.cif #13/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_2.um.cif #14/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_3.um.cif #15/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_4.um.cif #16/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_0.um.cif #17/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_1.um.cif #18/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_2.um.cif #19/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_3.um.cif #20/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_4.um.cif #21/spo11a  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 1  

> sequence header 1 conservation hide

Hiding conservation header for alignment 1  

> select spod3

4374 atoms, 2386 bonds, 1362 pseudobonds, 1377 residues, 31 models selected  

> close #6,32

> select intersect /spo11a,spo11b

1595 atoms, 861 bonds, 492 residues, 20 models selected  

> select #22-31/A

68418 atoms, 69068 bonds, 4250 residues, 10 models selected  

> select #22-31/A:39-369

54408 atoms, 54918 bonds, 3310 residues, 10 models selected  

> show sel cartoons

> select #22-31/B:39-369

54402 atoms, 54912 bonds, 3310 residues, 10 models selected  

> show sel cartoons

> hide sel cartoons

> show sel cartoons

> select #22-31/B

68412 atoms, 69062 bonds, 4250 residues, 10 models selected  

> changechains sel spo11b

Chain IDs of 4250 residues changed  

> select #22-31/A

68418 atoms, 69068 bonds, 4250 residues, 10 models selected  

> changechains sel spo11a

Chain IDs of 4250 residues changed  

> select #22-31/B:39-369

Nothing selected  

> select #22-31/spo11b:39-369

54402 atoms, 54912 bonds, 3310 residues, 10 models selected  

> select #22-31/E:158-345

30899 atoms, 31229 bonds, 1880 residues, 10 models selected  

> show sel cartoons

> contacts sel restrict /spo11b interModel false intraMol false select true

700 contacts  

> select intersect /spo11b

377 atoms, 104 residues, 10 models selected  

> select clear

> select /E:158-345

92698 atoms, 93688 bonds, 5640 residues, 30 models selected  

> contacts sel restrict /spo11a,spo11b interModel false intraMol false select
> true

4135 contacts  

> select intersect /spo11a,spo11b

2386 atoms, 735 residues, 30 models selected  

> name frozen spoABdsb3 sel

> select intersect /spo11a

1214 atoms, 421 residues, 30 models selected  

> sequence align sel

Alignment identifier is 1  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 1  
Webservices job id: MF5S6WL4ZC4ISEXV  
Webservices job finished: MF5S6WL4ZC4ISEXV  

> sequence header rmsd show

Chains used in RMSD evaluation for alignment 1:
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_0.um.cif #7/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_1.um.cif #8/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_2.um.cif #9/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_3.um.cif #10/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_4.um.cif #11/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_0.um.cif #12/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_1.um.cif #13/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_2.um.cif #14/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_3.um.cif #15/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_4.um.cif #16/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_0.um.cif #17/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_1.um.cif #18/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_2.um.cif #19/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_3.um.cif #20/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_4.um.cif #21/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_0.um.cif #22/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_1.um.cif #23/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_2.um.cif #24/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_3.um.cif #25/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_4.um.cif #26/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_0.um.cif #27/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_1.um.cif #28/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_2.um.cif #29/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_3.um.cif #30/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_4.um.cif #31/spo11a  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 1  

> sequence header conservation hide

Hiding conservation header for alignment 1  

> select spoABdsb3

2386 atoms, 1281 bonds, 735 residues, 30 models selected  

> select intersect /spo11b

1172 atoms, 664 bonds, 314 residues, 30 models selected  

> sequence align sel

Alignment identifier is 2  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 2  
Webservices job id: SSN08G01AZAJM26R  
Webservices job finished: SSN08G01AZAJM26R  

> sequence header 2 rmsd show

Chains used in RMSD evaluation for alignment 2:
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_0.um.cif #7/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_1.um.cif #8/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_2.um.cif #9/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_3.um.cif #10/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_4.um.cif #11/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_0.um.cif #12/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_1.um.cif #13/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_2.um.cif #14/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_3.um.cif #15/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_4.um.cif #16/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_0.um.cif #17/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_1.um.cif #18/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_2.um.cif #19/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_3.um.cif #20/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_4.um.cif #21/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_0.um.cif #22/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_1.um.cif #23/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_2.um.cif #24/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_3.um.cif #25/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_4.um.cif #26/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_0.um.cif #27/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_1.um.cif #28/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_2.um.cif #29/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_3.um.cif #30/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_4.um.cif #31/spo11b  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 2  

> sequence header 2 conservation hide

Hiding conservation header for alignment 2  

> select spoABdsb3

2386 atoms, 1281 bonds, 735 residues, 30 models selected  

> select #1/spo11b:164 #2/spo11b:164 #3/spo11b:164 #4/spo11b:164 #5/spo11b:164
> #7/spo11b:164 #8/spo11b:164 #9/spo11b:164 #10/spo11b:164 #11/spo11b:164
> #12/spo11b:164 #13/spo11b:164 #14/spo11b:164 #15/spo11b:164 #16/spo11b:164
> #17/spo11b:164 #18/spo11b:164 #19/spo11b:164 #20/spo11b:164 #21/spo11b:164
> #22/spo11b:164 #23/spo11b:164 #24/spo11b:164 #25/spo11b:164 #26/spo11b:164
> #27/spo11b:164 #28/spo11b:164 #29/spo11b:164 #30/spo11b:164 #31/spo11b:164

420 atoms, 390 bonds, 30 residues, 30 models selected  

> undo

Drag select of 321 residues  

> select clear

> select #27-31/C,D:1-140

22656 atoms, 22876 bonds, 1400 residues, 5 models selected  

> show sel cartoons

> select clear

Drag select of 5 residues  

> select add #30/D:26

105 atoms, 10 bonds, 6 residues, 2 models selected  

> select add #27/D:80

129 atoms, 33 bonds, 7 residues, 3 models selected  

> select up

933 atoms, 938 bonds, 56 residues, 3 models selected  

> select up

13224 atoms, 13356 bonds, 840 residues, 3 models selected  

> hide sel cartoons

> select #28/D:28

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select up

96 atoms, 95 bonds, 6 residues, 1 model selected  

> select up

4406 atoms, 4450 bonds, 280 residues, 1 model selected  

> hide sel cartoons

Drag select of 362 residues  

> select clear

Drag select of 444 residues  

> select clear

> select #12-26/C,D:1-140

68575 atoms, 69205 bonds, 4200 residues, 15 models selected  

> show sel cartoons

> select clear

Drag select of 583 residues  

> sequence align sel

Alignment identifier is 3  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 3  
Webservices job id: ZACVHJE4LH5NP5AN  
Webservices job finished: ZACVHJE4LH5NP5AN  

> select up

15838 atoms, 15885 bonds, 979 residues, 20 models selected  

> select up

119210 atoms, 120650 bonds, 7700 residues, 20 models selected  

> select up

694288 atoms, 706462 bonds, 41255 residues, 20 models selected  

> select down

119210 atoms, 120650 bonds, 7700 residues, 20 models selected  
Drag select of 725 residues  
Drag select of 1409 residues  

> select /C:1-140

68572 atoms, 69202 bonds, 4200 residues, 30 models selected  

> show sel cartoons

> select clear

> select /D:1-140

67969 atoms, 68629 bonds, 4200 residues, 30 models selected  

> show sel cartoons

> select clear

> select #11/D:80

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select #11/D:131

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select add #11/D:79

34 atoms, 33 bonds, 2 residues, 1 model selected  

> select add #31/D:70

51 atoms, 49 bonds, 3 residues, 2 models selected  

> select add #9/D:86

65 atoms, 62 bonds, 4 residues, 3 models selected  

> select add #27/D:11

86 atoms, 83 bonds, 5 residues, 4 models selected  

> select up

578 atoms, 581 bonds, 34 residues, 4 models selected  

> select up

17629 atoms, 17805 bonds, 1120 residues, 4 models selected  

> hide sel cartoons

> select #30/D:91

20 atoms, 20 bonds, 1 residue, 1 model selected  

> select add #8/D:38

36 atoms, 35 bonds, 2 residues, 2 models selected  

> select add #2/D:138

47 atoms, 45 bonds, 3 residues, 3 models selected  

> select subtract #2/D:138

36 atoms, 35 bonds, 2 residues, 2 models selected  

> select add #8/D:130

50 atoms, 48 bonds, 3 residues, 2 models selected  

> select up

437 atoms, 439 bonds, 26 residues, 2 models selected  

> select up

8816 atoms, 8904 bonds, 560 residues, 2 models selected  

> hide sel cartoons

Drag select of 9 residues  

> select up

9287 atoms, 9379 bonds, 586 residues, 3 models selected  

> select up

13223 atoms, 13355 bonds, 840 residues, 3 models selected  

> hide sel cartoons

> select #28/D:12

21 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

81 atoms, 82 bonds, 4 residues, 1 model selected  

> select up

4406 atoms, 4450 bonds, 280 residues, 1 model selected  

> select clear

> select sequence MSARG

1063 atoms, 1048 bonds, 75 residues, 15 models selected  

> select up

1709 atoms, 1694 bonds, 107 residues, 15 models selected  

> select up

66112 atoms, 66772 bonds, 4200 residues, 15 models selected  

> color sel purple

> select clear

> select #28/D:37

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select up

98 atoms, 98 bonds, 6 residues, 1 model selected  

> select up

4406 atoms, 4450 bonds, 280 residues, 1 model selected  

> hide sel cartoons

Drag select of 454 residues  

> select up

12851 atoms, 12973 bonds, 796 residues, 6 models selected  

> select up

26446 atoms, 26710 bonds, 1680 residues, 6 models selected  

> select /D:110-290 & sel

15792 atoms, 15954 bonds, 1026 residues, 6 models selected  

> color sel orange

> color sel purple

> hide sel cartoons

Drag select of 277 residues  

> select #29/D:97

11 atoms, 10 bonds, 1 residue, 1 model selected  
Drag select of 95 residues  

> select up

2922 atoms, 2950 bonds, 171 residues, 25 models selected  

> select up

119202 atoms, 120642 bonds, 7700 residues, 25 models selected  

> sequence align sel

Alignment identifier is 3  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 3  
Webservices job id: R7YGLSAUBMVSN878  
Webservices job finished: R7YGLSAUBMVSN878  

> ui tool show "Change Chain IDs"

> changechains sel dsb1B

Chain IDs of 7700 residues changed  

> select clear

Drag select of 872 residues  

> select up

23948 atoms, 24075 bonds, 1438 residues, 30 models selected  

> select up

149016 atoms, 150816 bonds, 9625 residues, 30 models selected  

> sequence align sel

Alignment identifier is 3  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 3  
Webservices job id: IAMG35WHQ59621BU  
Webservices job finished: IAMG35WHQ59621BU  

> ui tool show "Change Chain IDs"

> changechains sel dsb1A

Chain IDs of 9625 residues changed  

> select /dsb1B

119202 atoms, 120642 bonds, 7700 residues, 20 models selected  

> select /dsb1A

149016 atoms, 150816 bonds, 9625 residues, 25 models selected  

> select clear

> select sequence MSARG

1063 atoms, 1048 bonds, 75 residues, 15 models selected  

> select up

1709 atoms, 1694 bonds, 107 residues, 15 models selected  

> select up

66112 atoms, 66772 bonds, 4200 residues, 15 models selected  

> select up

503265 atoms, 512078 bonds, 29760 residues, 15 models selected  

> select down

66112 atoms, 66772 bonds, 4200 residues, 25 models selected  

> select clear

> ui tool show Log

> select sequence MSARG

1063 atoms, 1048 bonds, 75 residues, 15 models selected  

> select up

1709 atoms, 1694 bonds, 107 residues, 15 models selected  

> select up

66112 atoms, 66772 bonds, 4200 residues, 15 models selected  

> changechains sel dsb2

Chain IDs of 4200 residues changed  

> select clear

> save /Users/pcarlton/Desktop/wow3.cxs

> select dsb2 dsb1A dsb1B

Expected an objects specifier or a keyword  

> select /dsb2 /dsb1A /dsb1B

334330 atoms, 338231 bonds, 21525 residues, 30 models selected  

> select down

334330 atoms, 338231 bonds, 21525 residues, 40 models selected  

> select up

1029801 atoms, 1047852 bonds, 61095 residues, 40 models selected  

> select down

334330 atoms, 338231 bonds, 21525 residues, 40 models selected  

> select down

334330 atoms, 338231 bonds, 21525 residues, 40 models selected  

> select clear

> select /dsb1A

149016 atoms, 150816 bonds, 9625 residues, 25 models selected  

> color (#!1-5,12-31 & sel) cornflower blue

> select /dsb1B

119202 atoms, 120642 bonds, 7700 residues, 20 models selected  

> color (#!7-26 & sel) medium blue

> color (#!7-26 & sel) cornflower blue

> select clear

> select #1,2,3,4,5,7,8,9,10,11,27,28,29,30,31/dsb1A

59608 atoms, 60328 bonds, 3850 residues, 10 models selected  

> color (#!1-5,27-31 & sel) cyan

> select #1,2,3,4,5,7,8,9,10,11,27,28,29,30,31/dsb2

66112 atoms, 66772 bonds, 4200 residues, 15 models selected  

> select #1,2,3,4,5,7,8,9,10,11,27,28,29,30,31/dsb1B

29804 atoms, 30164 bonds, 1925 residues, 5 models selected  

> color (#!7-11 & sel) cyan

> select #12,13,14,15,16,17,18,19,20,21,22,23,24,25,26/dsb1A

89408 atoms, 90488 bonds, 5775 residues, 15 models selected  

> color sel light sea green

> color sel medium blue

> color sel #fcb2b3ff

> color sel #b2cefcff

[Repeated 1 time(s)]

> color sel #d9e6fcff

> color sel #e2ecfcff

> color sel #fcfcfcff

> color sel #dce8fcff

> color sel #a0c3fcff

> color sel #9dc1fcff

> color sel #9cc1fcff

> color sel #9cc0fbff

> color sel #6d87b0ff

> color sel #6a83abff

> color sel #6a82aaff

> color sel #718cb7ff

> color sel #728db8ff

> color sel #728db9ff

[Repeated 1 time(s)]

> select #12,13,14,15,16,17,18,19,20,21,22,23,24,25,26/dsb1B

89398 atoms, 90478 bonds, 5775 residues, 15 models selected  

> color sel #a8c8fcff

[Repeated 1 time(s)]

> color sel #9bb9e9ff

> color sel #98b5e4ff

> color sel #8ba6d1ff

[Repeated 1 time(s)]

> color sel #8ca6d1ff

> select clear

> save /Users/pcarlton/Desktop/wow3.cxs

> contacts /dsb1A restrict /spo11B interModel false intraMol false select true

No contacts  

> contacts /dsb1B restrict /spo11A interModel false intraMol false select true

No contacts  

> contacts /dsb1B restrict /spo11B interModel false intraMol false select true

No contacts  

> contacts /dsb1B restrict /spo11aB interModel false intraMol false select
> true

No contacts  

> contacts /dsb1B restrict /spo11a interModel false intraMol false select true

2018 contacts  

> select clear

Drag select of 6610 residues  

> select intersect dsb1B

Missing or invalid "objects" argument: invalid objects specifier  

> select intersect /dsb1B

34287 atoms, 2100 residues, 15 models selected  

> contacts sel restrict /spo11a select true interModel false intraMol false

538 contacts  

> sequence chain
> #14/spo11a#16/spo11a#17/spo11a#18/spo11a#19/spo11a#20/spo11a#21/spo11a#22/spo11a#23/spo11a#24/spo11a#25/spo11a#26/spo11a

Alignment identifier is 1  

> sequence chain
> #14/dsb1B#16/dsb1B#17/dsb1B#18/dsb1B#19/dsb1B#20/dsb1B#21/dsb1B#22/dsb1B#23/dsb1B#24/dsb1B#25/dsb1B#26/dsb1B

Alignment identifier is 2  

> select up

3479 atoms, 3342 bonds, 196 residues, 12 models selected  

> select down

570 atoms, 196 residues, 12 models selected  

> select #14/spo11a:406 #16/spo11a:406 #17/spo11a:406 #18/spo11a:406
> #19/spo11a:406 #20/spo11a:406 #21/spo11a:406 #22/spo11a:406 #23/spo11a:406
> #24/spo11a:406 #25/spo11a:406 #26/spo11a:406

144 atoms, 132 bonds, 12 residues, 12 models selected  

> select #14/spo11a:406-425 #16/spo11a:406-425 #17/spo11a:406-425
> #18/spo11a:406-425 #19/spo11a:406-425 #20/spo11a:406-425 #21/spo11a:406-425
> #22/spo11a:406-425 #23/spo11a:406-425 #24/spo11a:406-425 #25/spo11a:406-425
> #26/spo11a:406-425

3576 atoms, 3588 bonds, 240 residues, 12 models selected  
1 [ID: 1] region 12 chains [406-425] RMSD: 37.157  
  

> show sel cartoons

> color sel hot pink

Drag select of 8603 residues, 5 pseudobonds  

> select intersect /dsb1A

45716 atoms, 2800 residues, 20 models selected  

> contacts sel restrict /spo11b select true interModel false intraMol false

663 contacts  

> sequence chain
> #14/spo11b#16/spo11b#17/spo11b#18/spo11b#19/spo11b#20/spo11b#21/spo11b#22/spo11b#23/spo11b#24/spo11b#25/spo11b#26/spo11b#27/spo11b#28/spo11b#29/spo11b#30/spo11b#31/spo11b

Alignment identifier is 3  

> sequence chain
> #14/dsb1A#16/dsb1A#17/dsb1A#18/dsb1A#19/dsb1A#20/dsb1A#21/dsb1A#22/dsb1A#23/dsb1A#24/dsb1A#25/dsb1A#26/dsb1A#27/dsb1A#28/dsb1A#29/dsb1A#30/dsb1A#31/dsb1A

Alignment identifier is 4  

> select up

4222 atoms, 4053 bonds, 236 residues, 17 models selected  

> select down

719 atoms, 236 residues, 17 models selected  

> select #14/spo11b:382 #16/spo11b:382 #17/spo11b:382 #18/spo11b:382
> #19/spo11b:382 #20/spo11b:382 #21/spo11b:382 #22/spo11b:382 #23/spo11b:382
> #24/spo11b:382 #25/spo11b:382 #26/spo11b:382 #27/spo11b:382 #28/spo11b:382
> #29/spo11b:382 #30/spo11b:382 #31/spo11b:382

323 atoms, 306 bonds, 17 residues, 17 models selected  

> select #14/spo11b:382-425 #16/spo11b:382-425 #17/spo11b:382-425
> #18/spo11b:382-425 #19/spo11b:382-425 #20/spo11b:382-425 #21/spo11b:382-425
> #22/spo11b:382-425 #23/spo11b:382-425 #24/spo11b:382-425 #25/spo11b:382-425
> #26/spo11b:382-425 #27/spo11b:382-425 #28/spo11b:382-425 #29/spo11b:382-425
> #30/spo11b:382-425 #31/spo11b:382-425

11135 atoms, 11186 bonds, 748 residues, 17 models selected  
3 [ID: 3] region 17 chains [382-425] RMSD: 37.341  
  

> show sel cartoons

> select #14/spo11b:382 #16/spo11b:382 #17/spo11b:382 #18/spo11b:382
> #19/spo11b:382 #20/spo11b:382 #21/spo11b:382 #22/spo11b:382 #23/spo11b:382
> #24/spo11b:382 #25/spo11b:382 #26/spo11b:382 #27/spo11b:382 #28/spo11b:382
> #29/spo11b:382 #30/spo11b:382 #31/spo11b:382

323 atoms, 306 bonds, 17 residues, 17 models selected  

> select #14/spo11b:382-405 #16/spo11b:382-405 #17/spo11b:382-405
> #18/spo11b:382-405 #19/spo11b:382-405 #20/spo11b:382-405 #21/spo11b:382-405
> #22/spo11b:382-405 #23/spo11b:382-405 #24/spo11b:382-405 #25/spo11b:382-405
> #26/spo11b:382-405 #27/spo11b:382-405 #28/spo11b:382-405 #29/spo11b:382-405
> #30/spo11b:382-405 #31/spo11b:382-405

6069 atoms, 6086 bonds, 408 residues, 17 models selected  
3 [ID: 3] region 17 chains [382-405] RMSD: 33.469  
  

> hide sel cartoons

> select #14/spo11b:425 #16/spo11b:425 #17/spo11b:425 #18/spo11b:425
> #19/spo11b:425 #20/spo11b:425 #21/spo11b:425 #22/spo11b:425 #23/spo11b:425
> #24/spo11b:425 #25/spo11b:425 #26/spo11b:425 #27/spo11b:425 #28/spo11b:425
> #29/spo11b:425 #30/spo11b:425 #31/spo11b:425

221 atoms, 204 bonds, 17 residues, 17 models selected  

> select #14/spo11b:406-425 #16/spo11b:406-425 #17/spo11b:406-425
> #18/spo11b:406-425 #19/spo11b:406-425 #20/spo11b:406-425 #21/spo11b:406-425
> #22/spo11b:406-425 #23/spo11b:406-425 #24/spo11b:406-425 #25/spo11b:406-425
> #26/spo11b:406-425 #27/spo11b:406-425 #28/spo11b:406-425 #29/spo11b:406-425
> #30/spo11b:406-425 #31/spo11b:406-425

5066 atoms, 5083 bonds, 340 residues, 17 models selected  
3 [ID: 3] region 17 chains [406-425] RMSD: 41.513  
  

> select #14/spo11b:377 #16/spo11b:377 #17/spo11b:377 #18/spo11b:377
> #19/spo11b:377 #20/spo11b:377 #21/spo11b:377 #22/spo11b:377 #23/spo11b:377
> #24/spo11b:377 #25/spo11b:377 #26/spo11b:377 #27/spo11b:377 #28/spo11b:377
> #29/spo11b:377 #30/spo11b:377 #31/spo11b:377

323 atoms, 306 bonds, 17 residues, 17 models selected  

> select #14/spo11b:377-425 #16/spo11b:377-425 #17/spo11b:377-425
> #18/spo11b:377-425 #19/spo11b:377-425 #20/spo11b:377-425 #21/spo11b:377-425
> #22/spo11b:377-425 #23/spo11b:377-425 #24/spo11b:377-425 #25/spo11b:377-425
> #26/spo11b:377-425 #27/spo11b:377-425 #28/spo11b:377-425 #29/spo11b:377-425
> #30/spo11b:377-425 #31/spo11b:377-425

12478 atoms, 12546 bonds, 833 residues, 17 models selected  
3 [ID: 3] region 17 chains [377-425] RMSD: 36.037  
  

> hide sel cartoons

Drag select of 6337 residues  

> select intersect /dsb1A

45716 atoms, 2800 residues, 20 models selected  

> contacts sel restrict /spo11b select true interModel false intraMol false

663 contacts  

> select intersect /spo11b

355 atoms, 111 residues, 17 models selected  

> sequence chain
> #14/spo11b#16/spo11b#17/spo11b#18/spo11b#19/spo11b#20/spo11b#21/spo11b#22/spo11b#23/spo11b#24/spo11b#25/spo11b#26/spo11b#27/spo11b#28/spo11b#29/spo11b#30/spo11b#31/spo11b

Alignment identifier is 5  

> select up

1746 atoms, 1675 bonds, 111 residues, 17 models selected  

> select down

355 atoms, 111 residues, 17 models selected  

> show sel cartoons

> color sel magenta

> select clear

> select #19/spo11b:386

21 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

143 atoms, 144 bonds, 9 residues, 1 model selected  

> select add #14/spo11b:392

154 atoms, 154 bonds, 10 residues, 2 models selected  

> select add #25/spo11b:389

166 atoms, 165 bonds, 11 residues, 3 models selected  

> hide sel cartoons

Drag select of 123 residues  

> select up

6116 atoms, 6140 bonds, 406 residues, 12 models selected  

> select add #20/spo11a:416

6136 atoms, 6160 bonds, 407 residues, 13 models selected  

> select up

6175 atoms, 6199 bonds, 409 residues, 13 models selected  
Drag select of 1 residues  

> select up

7114 atoms, 7146 bonds, 470 residues, 13 models selected  
Drag select of 1 residues  

> select up

7226 atoms, 7258 bonds, 478 residues, 13 models selected  

> hide sel cartoons

Drag select of 8 residues  

> hide sel cartoons

> select clear

Drag select of 702 residues  

> select up

40706 atoms, 41174 bonds, 2432 residues, 30 models selected  

> select up

170077 atoms, 171517 bonds, 10350 residues, 30 models selected  

> color sel orange

> select clear

[Repeated 1 time(s)]

> select /dsb1B:1-135

44374 atoms, 44774 bonds, 2700 residues, 20 models selected  

> contacts sel restrict /spo11a interModel false intraMol false

616 contacts  

> select intersect /spo11b

Nothing selected  

> select /dsb1B:1-135

44374 atoms, 44774 bonds, 2700 residues, 20 models selected  

> contacts sel restrict /spo11a interModel false intraMol false

616 contacts  

> select intersect /spo11a

Nothing selected  

> select /dsb1B:1-135

44374 atoms, 44774 bonds, 2700 residues, 20 models selected  

> contacts sel restrict /spo11a interModel false intraMol false

616 contacts  

> sequence chain
> #7/dsb1B#8/dsb1B#9/dsb1B#10/dsb1B#11/dsb1B#12/dsb1B#13/dsb1B#14/dsb1B#15/dsb1B#16/dsb1B#17/dsb1B#18/dsb1B#19/dsb1B#20/dsb1B#21/dsb1B#22/dsb1B#23/dsb1B#24/dsb1B#25/dsb1B#26/dsb1B

Alignment identifier is 6  

> select up

54214 atoms, 54721 bonds, 3389 residues, 25 models selected  

> select down

44374 atoms, 44774 bonds, 2700 residues, 25 models selected  

> select clear

> select /dsb1B:1-135

44374 atoms, 44774 bonds, 2700 residues, 20 models selected  

> contacts sel restrict /spo11a interModel false intraMol false select true

616 contacts  

> sequence chain
> #7/spo11a#8/spo11a#9/spo11a#10/spo11a#11/spo11a#14/spo11a#16/spo11a#17/spo11a#18/spo11a#19/spo11a#20/spo11a#21/spo11a#22/spo11a#23/spo11a#24/spo11a#25/spo11a#26/spo11a

Alignment identifier is 6  

> sequence chain
> #7/dsb1B#8/dsb1B#9/dsb1B#10/dsb1B#11/dsb1B#14/dsb1B#16/dsb1B#17/dsb1B#18/dsb1B#19/dsb1B#20/dsb1B#21/dsb1B#22/dsb1B#23/dsb1B#24/dsb1B#25/dsb1B#26/dsb1B

Alignment identifier is 7  

> select up

3928 atoms, 3772 bonds, 220 residues, 22 models selected  

> select down

643 atoms, 220 residues, 22 models selected  

> show sel cartoons

> select intersect /spo11a

321 atoms, 106 residues, 17 models selected  

> color sel hot pink

> select clear

> select #19/spo11a:386

21 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

172 atoms, 173 bonds, 11 residues, 1 model selected  

> hide sel cartoons

> select clear

Drag select of 20 residues  

> sequence chain #14/spo11a

Alignment identifier is 14/spo11a  
Drag select of 1 residues  

> hide sel cartoons

Drag select of 1813 residues  

> select intersect /spo11a

1364 atoms, 88 residues, 12 models selected  

> color sel magenta

> select clear

> select /dsb1B:1-135

44374 atoms, 44774 bonds, 2700 residues, 20 models selected  

> contacts sel restrict /spo11a interModel false intraMol false select true

616 contacts  

> select intersect /spo11a

321 atoms, 106 residues, 17 models selected  

> color sel magenta

> select clear

> save /Users/pcarlton/Desktop/wow3.cxs

> movie record

> turn y 2 180

> wait 180

> movie encode /Users/pcarlton/Desktop/movie3.mp4

Movie saved to /Users/pcarlton/Desktop/movie3.mp4  
  

> help help:user

> camera ortho

Drag select of 8200 residues  

> select intersect /E

92372 atoms, 5622 residues, 30 models selected  

> contacts sel restrict /spo11a interModel false intraMol false select true

2073 contacts  

> select intersect /spo11a

1214 atoms, 421 residues, 30 models selected  

> sequence align sel

Alignment identifier is 7  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 7  
Webservices job id: 38O420DOB46W1H5J  
Webservices job finished: 38O420DOB46W1H5J  

> sequence header 7 rmsd show

Chains used in RMSD evaluation for alignment 7:
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_0.um.cif #7/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_1.um.cif #8/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_2.um.cif #9/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_3.um.cif #10/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_4.um.cif #11/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_0.um.cif #12/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_1.um.cif #13/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_2.um.cif #14/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_3.um.cif #15/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_4.um.cif #16/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_0.um.cif #17/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_1.um.cif #18/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_2.um.cif #19/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_3.um.cif #20/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_4.um.cif #21/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_0.um.cif #22/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_1.um.cif #23/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_2.um.cif #24/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_3.um.cif #25/spo11a,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_4.um.cif #26/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_0.um.cif #27/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_1.um.cif #28/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_2.um.cif #29/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_3.um.cif #30/spo11a,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_4.um.cif #31/spo11a  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 7  

> sequence header 7 conservation hide

Hiding conservation header for alignment 7  

> select clear

Drag select of 10291 residues, 46 pseudobonds  

> select intersect /E

92372 atoms, 5622 residues, 30 models selected  

> contacts sel restrict /spo11b interModel false intraMol false select true

2052 contacts  

> select intersect /spo11b

1166 atoms, 313 residues, 30 models selected  

> sequence align sel

Alignment identifier is 8  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 8  
Webservices job id: 8OAWPZEGAXJ1TNJ9  
Webservices job finished: 8OAWPZEGAXJ1TNJ9  

> sequence header 8 rmsd show

Chains used in RMSD evaluation for alignment 8:
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_0.um.cif #7/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_1.um.cif #8/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_2.um.cif #9/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_3.um.cif #10/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_4.um.cif #11/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_0.um.cif #12/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_1.um.cif #13/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_2.um.cif #14/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_3.um.cif #15/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_4.um.cif #16/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_0.um.cif #17/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_1.um.cif #18/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_2.um.cif #19/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_3.um.cif #20/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_4.um.cif #21/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_0.um.cif #22/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_1.um.cif #23/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_2.um.cif #24/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_3.um.cif #25/spo11b,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_4.um.cif #26/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_0.um.cif #27/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_1.um.cif #28/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_2.um.cif #29/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_3.um.cif #30/spo11b,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_4.um.cif #31/spo11b  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 8  

> sequence header 8 conservation hide

Hiding conservation header for alignment 8  
Drag select of 9061 residues  

> select intersect /E

92372 atoms, 5622 residues, 30 models selected  

> contacts sel restrict /spo11b,spo11a interModel false intraMol false select
> true

4125 contacts  

> select intersect /E

2053 atoms, 665 residues, 30 models selected  

> select /E

170077 atoms, 171517 bonds, 10350 residues, 30 models selected  

> contacts sel restrict /spo11a interModel false intraMol false select true

2386 contacts  

> select intersect /E

1264 atoms, 409 residues, 30 models selected  

> sequence align sel

Alignment identifier is 1  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 1  
Webservices job id: 07CIG2E60N2239QG  
Webservices job finished: 07CIG2E60N2239QG  

> name frozen dsb3tspoA sel

> select clear

> select dsb3tspoA

1264 atoms, 647 bonds, 409 residues, 30 models selected  

> select clear

> select /E

170077 atoms, 171517 bonds, 10350 residues, 30 models selected  

> contacts sel restrict /spo11b interModel false intraMol false select true

3541 contacts  

> select intersect /E

1659 atoms, 532 residues, 30 models selected  

> name frozen dsb3tspoB sel

> select dsb3tspoB

1659 atoms, 988 bonds, 532 residues, 30 models selected  

> select dsb3tspoA

1264 atoms, 647 bonds, 409 residues, 30 models selected  

> select dsb3tspoB

1659 atoms, 988 bonds, 532 residues, 30 models selected  

> select dsb3tspoA

1264 atoms, 647 bonds, 409 residues, 30 models selected  

> sequence header 1 rmsd show

Chains used in RMSD evaluation for alignment 1:
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_0.um.cif #1/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_1.um.cif #2/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_2.um.cif #3/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_3.um.cif #4/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2_model_4.um.cif #5/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_0.um.cif #7/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_1.um.cif #8/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_2.um.cif #9/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_3.um.cif #10/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2b_model_4.um.cif #11/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_0.um.cif #12/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_1.um.cif #13/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_2.um.cif #14/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_3.um.cif #15/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdna_model_4.um.cif #16/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_0.um.cif #17/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_1.um.cif #18/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_2.um.cif #19/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_3.um.cif #20/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnab_model_4.um.cif #21/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_0.um.cif #22/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_1.um.cif #23/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_2.um.cif #24/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_3.um.cif #25/E,
fold_k00cele_spo_11x2_dsb113_mg4_splitdnac_model_4.um.cif #26/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_0.um.cif #27/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_1.um.cif #28/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_2.um.cif #29/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_3.um.cif #30/E,
fold_k00cele_spo_11x2_dsb123_mg4_splitdna2c_model_4.um.cif #31/E  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 1  

> sequence header 1 conservation hide

Hiding conservation header for alignment 1  

> select dsb3tspoB

1659 atoms, 988 bonds, 532 residues, 30 models selected  

> select dsb3tspoA

1264 atoms, 647 bonds, 409 residues, 30 models selected  

> select dsb3tspoB

1659 atoms, 988 bonds, 532 residues, 30 models selected  

> save /Users/pcarlton/Desktop/wow3.cxs

——— End of log from Sat Sep 6 22:32:53 2025 ———

> view name session-start

opened ChimeraX session  

> select dsb3tspoA

1264 atoms, 647 bonds, 409 residues, 30 models selected  

> select spoABdsb3

2386 atoms, 1281 bonds, 735 residues, 30 models selected  

> sequence align sel

Alignment identifier is 2  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 2  
Webservices job id: IV94GTYABZISH5QD  
Webservices job finished: IV94GTYABZISH5QD  

> select intersect /spo11a

1214 atoms, 617 bonds, 421 residues, 30 models selected  

> sequence align sel

Alignment identifier is 2  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 2  
Webservices job id: MRJ726GQ943QECC2  
Webservices job finished: MRJ726GQ943QECC2  

> undo

> select up

12425 atoms, 11940 bonds, 735 residues, 30 models selected  

> select up

50153 atoms, 50358 bonds, 3177 residues, 30 models selected  

Populating font family aliases took 346 ms. Replace uses of missing font
family "Times" with one that exists to avoid this cost.  

> sequence header 2 rmsd setting initially_shown True

[Repeated 1 time(s)]Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 458, in _save  
for opt in self._get_actionable_options():  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 420, in
_get_actionable_options  
options = self.options_panel.options(self.options_panel.current_category())  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 279, in current_category  
return self._tabs_widget.tabText(self.currentIndex())  
^^^^^^^^^^^^^^^^^  
AttributeError: 'CategorizedOptionsPanel' object has no attribute
'currentIndex'  
  
AttributeError: 'CategorizedOptionsPanel' object has no attribute
'currentIndex'  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 279, in current_category  
return self._tabs_widget.tabText(self.currentIndex())  
^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 458, in _save  
for opt in self._get_actionable_options():  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 420, in
_get_actionable_options  
options = self.options_panel.options(self.options_panel.current_category())  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 279, in current_category  
return self._tabs_widget.tabText(self.currentIndex())  
^^^^^^^^^^^^^^^^^  
AttributeError: 'CategorizedOptionsPanel' object has no attribute
'currentIndex'  
  
AttributeError: 'CategorizedOptionsPanel' object has no attribute
'currentIndex'  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 279, in current_category  
return self._tabs_widget.tabText(self.currentIndex())  
^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 458, in _save  
for opt in self._get_actionable_options():  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 420, in
_get_actionable_options  
options = self.options_panel.options(self.options_panel.current_category())  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 279, in current_category  
return self._tabs_widget.tabText(self.currentIndex())  
^^^^^^^^^^^^^^^^^  
AttributeError: 'CategorizedOptionsPanel' object has no attribute
'currentIndex'  
  
AttributeError: 'CategorizedOptionsPanel' object has no attribute
'currentIndex'  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 279, in current_category  
return self._tabs_widget.tabText(self.currentIndex())  
^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 458, in _save  
for opt in self._get_actionable_options():  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 420, in
_get_actionable_options  
options = self.options_panel.options(self.options_panel.current_category())  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 279, in current_category  
return self._tabs_widget.tabText(self.currentIndex())  
^^^^^^^^^^^^^^^^^  
AttributeError: 'CategorizedOptionsPanel' object has no attribute
'currentIndex'  
  
AttributeError: 'CategorizedOptionsPanel' object has no attribute
'currentIndex'  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/options/containers.py", line 279, in current_category  
return self._tabs_widget.tabText(self.currentIndex())  
^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M3
OpenGL vendor: Apple

Python: 3.11.4
Locale: en_US.UTF-8
Qt version: PyQt6 6.8.1, Qt 6.8.2
Qt runtime version: 6.8.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Air
      Model Identifier: Mac15,13
      Model Number: MXD33J/A
      Chip: Apple M3
      Total Number of Cores: 8 (4 performance and 4 efficiency)
      Memory: 16 GB
      System Firmware Version: 11881.140.96
      OS Loader Version: 11881.140.96

Software:

    System Software Overview:

      System Version: macOS 15.6 (24G84)
      Kernel Version: Darwin 24.6.0
      Time since boot: 13 days, 7 hours, 4 minutes

Graphics/Displays:

    Apple M3:

      Chipset Model: Apple M3
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 10
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina Display
          Resolution: 2880 x 1864 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: No
          Connection Type: Internal


Installed Packages:
    alabaster: 1.0.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.0
    auditwheel: 6.4.0
    babel: 2.17.0
    beautifulsoup4: 4.13.3
    blockdiag: 3.0.0
    blosc2: 3.4.0
    build: 1.2.2.post1
    certifi: 2023.11.17
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.2
    ChimeraX-AddCharge: 1.5.19
    ChimeraX-AddH: 2.2.7
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.6.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 3.0
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Aniso: 1.3.1
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.60.9
    ChimeraX-AtomicLibrary: 14.1.19
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.3
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-Boltz: 1.0
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.2
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.5.1
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.5
    ChimeraX-ChemGroup: 2.0.2
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.8
    ChimeraX-CommandLine: 1.3.0
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.11.dev202506162128
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.5
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.4
    ChimeraX-Dicom: 1.2.7
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.4
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.4.1
    ChimeraX-Hbonds: 2.5.1
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.4
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.7
    ChimeraX-Label: 1.1.14
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.3
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.2.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.11
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.16
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.19
    ChimeraX-ModelPanel: 1.5.1
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0.1
    ChimeraX-MutationScores: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.15.1
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.10
    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: 1.1.3
    ChimeraX-ProfileGrids: 1.1.3
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.3
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.2
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.3
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.7
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.17.2
    ChimeraX-Shape: 1.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.1
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-SimilarStructures: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.19.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.3
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.46.1
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDock: 0.1
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.5
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.3.2
    coverage: 7.9.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.12
    debugpy: 1.8.14
    decorator: 5.2.1
    docutils: 0.21.2
    executing: 2.2.0
    filelock: 3.18.0
    fonttools: 4.58.4
    funcparserlib: 2.0.0a0
    glfw: 2.9.0
    grako: 3.16.5
    h5py: 3.14.0
    html2text: 2024.2.26
    idna: 3.10
    ihm: 2.2
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    iniconfig: 2.1.0
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.7
    jedi: 0.19.1
    Jinja2: 3.1.6
    jupyter_client: 8.6.3
    jupyter_core: 5.8.1
    jupyterlab_widgets: 3.0.15
    kiwisolver: 1.4.8
    line_profiler: 4.2.0
    lxml: 5.3.1
    lz4: 4.4.4
    MarkupSafe: 3.0.2
    matplotlib: 3.10.1
    matplotlib-inline: 0.1.7
    msgpack: 1.1.0
    ndindex: 1.10.0
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.11.0
    numpy: 1.26.4
    OpenMM: 8.2.0
    openvr: 1.26.701
    packaging: 24.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 10.4.0
    pip: 25.0.1
    pkginfo: 1.11.1
    platformdirs: 4.3.8
    pluggy: 1.6.0
    prompt_toolkit: 3.0.51
    psutil: 7.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pyelftools: 0.32
    Pygments: 2.18.0
    pynmrstar: 3.3.5
    pynrrd: 1.0.0
    PyOpenGL: 3.1.9
    PyOpenGL-accelerate: 3.1.9
    pyopenxr: 1.1.4501
    pyparsing: 3.2.3
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.8.1
    PyQt6-Qt6: 6.8.2
    PyQt6-WebEngine-commercial: 6.8.0
    PyQt6-WebEngine-Qt6: 6.8.2
    PyQt6_sip: 13.10.0
    pytest: 8.4.0
    pytest-cov: 6.2.1
    python-dateutil: 2.9.0.post0
    pytz: 2025.2
    pyzmq: 27.0.0
    qtconsole: 5.5.2
    QtPy: 2.4.3
    qtshim: 1.1
    RandomWords: 0.4.0
    requests: 2.32.3
    roman-numerals-py: 3.1.0
    scipy: 1.14.0
    Send2Trash: 1.8.3
    SEQCROW: 1.9.2
    setuptools: 78.1.0
    sfftk-rw: 0.8.1
    six: 1.16.0
    snowballstemmer: 3.0.1
    sortedcontainers: 2.4.0
    soupsieve: 2.7
    Sphinx: 8.2.3
    sphinx-autodoc-typehints: 3.1.0
    sphinxcontrib-applehelp: 2.0.0
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 2.0.0
    sphinxcontrib-htmlhelp: 2.1.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 2.0.0
    sphinxcontrib-serializinghtml: 2.0.0
    stack-data: 0.6.3
    superqt: 0.7.1
    tables: 3.10.2
    tcia_utils: 1.5.1
    tifffile: 2025.3.13
    tinyarray: 1.2.4
    tornado: 6.5.1
    traitlets: 5.14.3
    typing_extensions: 4.14.0
    tzdata: 2025.2
    urllib3: 2.4.0
    wcwidth: 0.2.13
    webcolors: 24.11.1
    wheel: 0.45.1
    wheel-filename: 1.4.2
    widgetsnbextension: 4.0.14

Change History (4)

comment:1 by Eric Pettersen, 2 months ago

Component:	Unassigned → General Controls
Description:	modified (diff)
Owner:	set to Eric Pettersen
Platform:	→ all
Project:	→ ChimeraX
Status:	new → accepted
Summary:	ChimeraX bug report submission → 'CategorizedOptionsPanel' object has no attribute 'currentIndex'

comment:2 by Eric Pettersen, 2 months ago

Resolution:	→ duplicate
Status:	accepted → closed

Hi Peter,

Thanks for reporting this problem. It was fixed about 4 days after the version you have, so if you download a new daily build then it won't happen to you again.

--Eric

Eric Pettersen
UCSF Computer Graphics Lab

comment:3 by pmcarlton@…, 2 months ago

Hi Eric,
sorry for not being up to date! I'll try to remember that next time before reporting a bug.
Thanks,
Peter

On 2025-09-09 at 03:52, ChimeraX-bugs-admin@cgl.ucsf.edu wrote:
>
>
>
>
>

comment:4 by Eric Pettersen, 2 months ago

Since daily builds don't get as much use as production releases, you never know when you'll be the first one to report a bug. It so happens you were second this time. :-)

--Eric

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