Opened 4 years ago
Closed 4 years ago
#6684 closed defect (duplicate)
No error
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Core | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description (last modified by )
The following bug report has been submitted:
Platform: Windows-10-10.0.19041
ChimeraX Version: 1.2.5 (2021-05-24 04:13:57 UTC)
Description
(Describe the actions that caused this problem to occur here)
Log:
UCSF ChimeraX version: 1.2.5 (2021-05-24)
© 2016-2021 Regents of the University of California. All rights reserved.
> open
> E:/Project_MCR/mcr-1/Autodock_docking/new_Result/new_mcr-1_hid/volume_mcr-1_hid_ST3c_ST3e_ST3f_ST3b_ST4g.cxs
Log from Fri Apr 22 00:38:43 2022UCSF ChimeraX version: 1.2.5 (2021-05-24)
© 2016-2021 Regents of the University of California. All rights reserved.
> open E:\Project_MCR\data\MS_mcr-1_mcr-3\Result\Volume_depht\mcr-1-3.cxs
> format session
Log from Thu Apr 21 17:07:05 2022UCSF ChimeraX version: 1.2.5 (2021-05-24)
© 2016-2021 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open
> E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-1_hid_cluster/mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb
Summary of feedback from opening
E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-1_hid_cluster/mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb
---
warning | Ignored bad PDB record found on line 5812
END
Chain information for
mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb #1
---
Chain | Description
? | No description available
> open
> E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-1_hip_cluster/mcr-1_hip_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb
Chain information for
mcr-1_hip_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb #2
---
Chain | Description
? | No description available
> open
> E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-3_hid_cluster/mcr-3_hid_123rep_60snap_cluster_TopN_pockets_combine_test.pdb
Chain information for
mcr-3_hid_123rep_60snap_cluster_TopN_pockets_combine_test.pdb #3
---
Chain | Description
? | No description available
> open
> E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-3_hip_cluster/mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb
Chain information for
mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb #4
---
Chain | Description
? | No description available
> matchmaker #2 #3 #4 to #1.1
No 'to' model specified
> matchmaker #2 #3 #4 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb,
chain (blank) (#1) with
mcr-1_hip_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb, chain (blank)
(#2), sequence alignment score = 1576.8
RMSD between 309 pruned atom pairs is 0.783 angstroms; (across all 323 pairs:
0.993)
Matchmaker mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb,
chain (blank) (#1) with
mcr-3_hid_123rep_60snap_cluster_TopN_pockets_combine_test.pdb, chain (blank)
(#3), sequence alignment score = 750.7
RMSD between 206 pruned atom pairs is 1.103 angstroms; (across all 307 pairs:
3.267)
Matchmaker mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb,
chain (blank) (#1) with
mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank)
(#4), sequence alignment score = 739.3
RMSD between 205 pruned atom pairs is 1.132 angstroms; (across all 307 pairs:
2.899)
> select protein
20120 atoms, 20350 bonds, 1308 residues, 4 models selected
> show sel surfaces
> select #1.1
4955 atoms, 323 residues, 1 model selected
> hide #!2 models
> hide #!3 models
> hide #!4 models
> show sel surfaces
> show sel surfaces
> select #1/C
96 atoms, 96 residues, 1 model selected
> show sel surfaces
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!2 models
> hide #2.1 models
> select #2/A
128 atoms, 128 residues, 1 model selected
> show sel surfaces
> show #2.1 models
> show #!3 models
> hide #!2 models
> hide #1.1 models
> hide #1.2 models
> hide #2.1 models
> hide #2.2 models
> select #3/A
179 atoms, 179 residues, 1 model selected
> select #3/A #3/D
261 atoms, 261 residues, 1 model selected
> show sel surfaces
> select clear
> show #!4 models
> hide #!3 models
> select #4/A
249 atoms, 249 residues, 1 model selected
> show sel surfaces
> show #!3 models
> hide #!4 models
> show #!2 models
> hide #!3 models
> show #!2 surfaces
> save E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-1-3.cxs
——— End of log from Thu Apr 21 17:07:05 2022 ———
opened ChimeraX session
> open
> E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\\*ST3c.pdb
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d10_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d11_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d12_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d13_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d14_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d15_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d16_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d17_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d18_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d19_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d1_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d20_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d2_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d3_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d4_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d5_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d6_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d7_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d8_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d9_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Chain information for Bfact_d10_ST3c.pdb #5
---
Chain | Description
? | No description available
Chain information for Bfact_d11_ST3c.pdb #6
---
Chain | Description
? | No description available
Chain information for Bfact_d12_ST3c.pdb #7
---
Chain | Description
? | No description available
Chain information for Bfact_d13_ST3c.pdb #8
---
Chain | Description
? | No description available
Chain information for Bfact_d14_ST3c.pdb #9
---
Chain | Description
? | No description available
Chain information for Bfact_d15_ST3c.pdb #10
---
Chain | Description
? | No description available
Chain information for Bfact_d16_ST3c.pdb #11
---
Chain | Description
? | No description available
Chain information for Bfact_d17_ST3c.pdb #12
---
Chain | Description
? | No description available
Chain information for Bfact_d18_ST3c.pdb #13
---
Chain | Description
? | No description available
Chain information for Bfact_d19_ST3c.pdb #14
---
Chain | Description
? | No description available
Chain information for Bfact_d1_ST3c.pdb #15
---
Chain | Description
? | No description available
Chain information for Bfact_d20_ST3c.pdb #16
---
Chain | Description
? | No description available
Chain information for Bfact_d2_ST3c.pdb #17
---
Chain | Description
? | No description available
Chain information for Bfact_d3_ST3c.pdb #18
---
Chain | Description
? | No description available
Chain information for Bfact_d4_ST3c.pdb #19
---
Chain | Description
? | No description available
Chain information for Bfact_d5_ST3c.pdb #20
---
Chain | Description
? | No description available
Chain information for Bfact_d6_ST3c.pdb #21
---
Chain | Description
? | No description available
Chain information for Bfact_d7_ST3c.pdb #22
---
Chain | Description
? | No description available
Chain information for Bfact_d8_ST3c.pdb #23
---
Chain | Description
? | No description available
Chain information for Bfact_d9_ST3c.pdb #24
---
Chain | Description
? | No description available
> open
> E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\\*ST3c.pdb
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d10_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d11_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d12_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d13_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d14_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d15_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d16_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d17_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d18_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d19_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d1_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d20_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d2_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d3_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d4_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d5_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d6_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d7_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d8_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d9_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3116
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Chain information for Bfact_d10_ST3c.pdb #25
---
Chain | Description
? | No description available
Chain information for Bfact_d11_ST3c.pdb #26
---
Chain | Description
? | No description available
Chain information for Bfact_d12_ST3c.pdb #27
---
Chain | Description
? | No description available
Chain information for Bfact_d13_ST3c.pdb #28
---
Chain | Description
? | No description available
Chain information for Bfact_d14_ST3c.pdb #29
---
Chain | Description
? | No description available
Chain information for Bfact_d15_ST3c.pdb #30
---
Chain | Description
? | No description available
Chain information for Bfact_d16_ST3c.pdb #31
---
Chain | Description
? | No description available
Chain information for Bfact_d17_ST3c.pdb #32
---
Chain | Description
? | No description available
Chain information for Bfact_d18_ST3c.pdb #33
---
Chain | Description
? | No description available
Chain information for Bfact_d19_ST3c.pdb #34
---
Chain | Description
? | No description available
Chain information for Bfact_d1_ST3c.pdb #35
---
Chain | Description
? | No description available
Chain information for Bfact_d20_ST3c.pdb #36
---
Chain | Description
? | No description available
Chain information for Bfact_d2_ST3c.pdb #37
---
Chain | Description
? | No description available
Chain information for Bfact_d3_ST3c.pdb #38
---
Chain | Description
? | No description available
Chain information for Bfact_d4_ST3c.pdb #39
---
Chain | Description
? | No description available
Chain information for Bfact_d5_ST3c.pdb #40
---
Chain | Description
? | No description available
Chain information for Bfact_d6_ST3c.pdb #41
---
Chain | Description
? | No description available
Chain information for Bfact_d7_ST3c.pdb #42
---
Chain | Description
? | No description available
Chain information for Bfact_d8_ST3c.pdb #43
---
Chain | Description
? | No description available
Chain information for Bfact_d9_ST3c.pdb #44
---
Chain | Description
? | No description available
> open
> E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\\*ST3c.pdb
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d10_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d11_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d12_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d13_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d14_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d15_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d16_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d17_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d18_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
Summary of feedback from opening
E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\3\mcr-1_B3hid\Bfact_d19_ST3c.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
22 messages similar to the above omitted
Ignored bad PDB record found on line 3117
TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00
[much deleted to fit within ticket limits]
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST3e.pdb, chain (blank) (#997), sequence
alignment score = 1649.2
RMSD between 286 pruned atom pairs is 0.924 angstroms; (across all 331 pairs:
1.667)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST3e.pdb, chain (blank) (#998), sequence
alignment score = 1664.8
RMSD between 278 pruned atom pairs is 0.988 angstroms; (across all 331 pairs:
1.625)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST3e.pdb, chain (blank) (#999), sequence
alignment score = 1609.6
RMSD between 282 pruned atom pairs is 0.901 angstroms; (across all 331 pairs:
1.665)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST3e.pdb, chain (blank) (#1000), sequence
alignment score = 1625.2
RMSD between 290 pruned atom pairs is 0.914 angstroms; (across all 331 pairs:
1.651)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST3e.pdb, chain (blank) (#1001), sequence
alignment score = 1700.2
RMSD between 288 pruned atom pairs is 0.961 angstroms; (across all 331 pairs:
1.486)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST3e.pdb, chain (blank) (#1002), sequence
alignment score = 1619.2
RMSD between 283 pruned atom pairs is 0.969 angstroms; (across all 331 pairs:
1.547)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST3e.pdb, chain (blank) (#1003), sequence
alignment score = 1619.2
RMSD between 293 pruned atom pairs is 0.923 angstroms; (across all 331 pairs:
1.452)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST3e.pdb, chain (blank) (#1004), sequence
alignment score = 1601.2
RMSD between 279 pruned atom pairs is 0.969 angstroms; (across all 331 pairs:
1.652)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST3e.pdb, chain (blank) (#1005), sequence
alignment score = 1676.8
RMSD between 325 pruned atom pairs is 0.718 angstroms; (across all 331 pairs:
0.832)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST3e.pdb, chain (blank) (#1006), sequence
alignment score = 1602.4
RMSD between 323 pruned atom pairs is 0.760 angstroms; (across all 331 pairs:
0.867)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST3e.pdb, chain (blank) (#1007), sequence
alignment score = 1682.2
RMSD between 319 pruned atom pairs is 0.784 angstroms; (across all 331 pairs:
0.961)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST3e.pdb, chain (blank) (#1008), sequence
alignment score = 1649.8
RMSD between 323 pruned atom pairs is 0.762 angstroms; (across all 331 pairs:
0.863)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST3e.pdb, chain (blank) (#1009), sequence
alignment score = 1633
RMSD between 323 pruned atom pairs is 0.826 angstroms; (across all 331 pairs:
1.059)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST3e.pdb, chain (blank) (#1010), sequence
alignment score = 1742.8
RMSD between 331 pruned atom pairs is 0.000 angstroms; (across all 331 pairs:
0.000)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST3e.pdb, chain (blank) (#1011), sequence
alignment score = 1651.6
RMSD between 320 pruned atom pairs is 0.820 angstroms; (across all 331 pairs:
1.275)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST3e.pdb, chain (blank) (#1012), sequence
alignment score = 1589.2
RMSD between 321 pruned atom pairs is 0.726 angstroms; (across all 331 pairs:
0.911)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST3e.pdb, chain (blank) (#1013), sequence
alignment score = 1666.6
RMSD between 320 pruned atom pairs is 0.725 angstroms; (across all 331 pairs:
0.925)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST3e.pdb, chain (blank) (#1014), sequence
alignment score = 1639.6
RMSD between 323 pruned atom pairs is 0.786 angstroms; (across all 331 pairs:
0.870)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST3e.pdb, chain (blank) (#1015), sequence
alignment score = 1672
RMSD between 307 pruned atom pairs is 1.011 angstroms; (across all 331 pairs:
1.285)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST3e.pdb, chain (blank) (#1016), sequence
alignment score = 1638.4
RMSD between 318 pruned atom pairs is 0.807 angstroms; (across all 331 pairs:
1.030)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST3e.pdb, chain (blank) (#1017), sequence
alignment score = 1623.4
RMSD between 310 pruned atom pairs is 0.959 angstroms; (across all 331 pairs:
1.114)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST3e.pdb, chain (blank) (#1018), sequence
alignment score = 1688.8
RMSD between 316 pruned atom pairs is 0.973 angstroms; (across all 331 pairs:
1.118)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST3e.pdb, chain (blank) (#1019), sequence
alignment score = 1616.8
RMSD between 309 pruned atom pairs is 0.918 angstroms; (across all 331 pairs:
1.078)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST3e.pdb, chain (blank) (#1020), sequence
alignment score = 1662.4
RMSD between 311 pruned atom pairs is 0.948 angstroms; (across all 331 pairs:
1.136)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST3e.pdb, chain (blank) (#1021), sequence
alignment score = 1663
RMSD between 317 pruned atom pairs is 0.860 angstroms; (across all 331 pairs:
1.038)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST3e.pdb, chain (blank) (#1022), sequence
alignment score = 1633.6
RMSD between 321 pruned atom pairs is 0.875 angstroms; (across all 331 pairs:
0.990)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST3e.pdb, chain (blank) (#1023), sequence
alignment score = 1651.6
RMSD between 322 pruned atom pairs is 0.814 angstroms; (across all 331 pairs:
0.905)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST3e.pdb, chain (blank) (#1024), sequence
alignment score = 1691.8
RMSD between 323 pruned atom pairs is 0.752 angstroms; (across all 331 pairs:
0.867)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST3f.pdb, chain (blank) (#1025), sequence
alignment score = 1630.6
RMSD between 273 pruned atom pairs is 0.821 angstroms; (across all 331 pairs:
1.584)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST3f.pdb, chain (blank) (#1026), sequence
alignment score = 1582.6
RMSD between 284 pruned atom pairs is 0.876 angstroms; (across all 331 pairs:
1.753)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST3f.pdb, chain (blank) (#1027), sequence
alignment score = 1636
RMSD between 291 pruned atom pairs is 0.866 angstroms; (across all 331 pairs:
1.786)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST3f.pdb, chain (blank) (#1028), sequence
alignment score = 1622.2
RMSD between 276 pruned atom pairs is 0.989 angstroms; (across all 331 pairs:
1.783)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST3f.pdb, chain (blank) (#1029), sequence
alignment score = 1626.4
RMSD between 295 pruned atom pairs is 0.807 angstroms; (across all 331 pairs:
1.450)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST3f.pdb, chain (blank) (#1030), sequence
alignment score = 1658.2
RMSD between 285 pruned atom pairs is 0.876 angstroms; (across all 331 pairs:
1.630)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST3f.pdb, chain (blank) (#1031), sequence
alignment score = 1652.8
RMSD between 302 pruned atom pairs is 0.866 angstroms; (across all 331 pairs:
1.430)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST3f.pdb, chain (blank) (#1032), sequence
alignment score = 1630.6
RMSD between 296 pruned atom pairs is 0.826 angstroms; (across all 331 pairs:
1.607)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST3f.pdb, chain (blank) (#1033), sequence
alignment score = 1637.8
RMSD between 299 pruned atom pairs is 0.816 angstroms; (across all 331 pairs:
1.496)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST3f.pdb, chain (blank) (#1034), sequence
alignment score = 1601.8
RMSD between 292 pruned atom pairs is 0.799 angstroms; (across all 331 pairs:
1.624)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST3f.pdb, chain (blank) (#1035), sequence
alignment score = 1609
RMSD between 291 pruned atom pairs is 0.941 angstroms; (across all 331 pairs:
1.616)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST3f.pdb, chain (blank) (#1036), sequence
alignment score = 1627
RMSD between 277 pruned atom pairs is 0.941 angstroms; (across all 331 pairs:
1.747)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST3f.pdb, chain (blank) (#1037), sequence
alignment score = 1613.8
RMSD between 294 pruned atom pairs is 0.929 angstroms; (across all 331 pairs:
1.653)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST3f.pdb, chain (blank) (#1038), sequence
alignment score = 1580.2
RMSD between 290 pruned atom pairs is 0.906 angstroms; (across all 331 pairs:
1.650)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST3f.pdb, chain (blank) (#1039), sequence
alignment score = 1632.4
RMSD between 287 pruned atom pairs is 0.937 angstroms; (across all 331 pairs:
1.644)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST3f.pdb, chain (blank) (#1040), sequence
alignment score = 1630.6
RMSD between 298 pruned atom pairs is 0.795 angstroms; (across all 331 pairs:
1.488)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST3f.pdb, chain (blank) (#1041), sequence
alignment score = 1650.4
RMSD between 312 pruned atom pairs is 0.883 angstroms; (across all 331 pairs:
1.359)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST3f.pdb, chain (blank) (#1042), sequence
alignment score = 1645.6
RMSD between 282 pruned atom pairs is 0.893 angstroms; (across all 331 pairs:
1.604)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST3f.pdb, chain (blank) (#1043), sequence
alignment score = 1603
RMSD between 289 pruned atom pairs is 0.917 angstroms; (across all 331 pairs:
1.626)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST3f.pdb, chain (blank) (#1044), sequence
alignment score = 1622.8
RMSD between 282 pruned atom pairs is 0.881 angstroms; (across all 331 pairs:
1.753)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST3f.pdb, chain (blank) (#1045), sequence
alignment score = 1655.2
RMSD between 284 pruned atom pairs is 0.944 angstroms; (across all 331 pairs:
1.619)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST3f.pdb, chain (blank) (#1046), sequence
alignment score = 1640.2
RMSD between 282 pruned atom pairs is 0.917 angstroms; (across all 331 pairs:
1.574)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST3f.pdb, chain (blank) (#1047), sequence
alignment score = 1627
RMSD between 289 pruned atom pairs is 0.875 angstroms; (across all 331 pairs:
1.580)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST3f.pdb, chain (blank) (#1048), sequence
alignment score = 1627.6
RMSD between 266 pruned atom pairs is 0.926 angstroms; (across all 331 pairs:
1.682)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST3f.pdb, chain (blank) (#1049), sequence
alignment score = 1629.4
RMSD between 297 pruned atom pairs is 0.904 angstroms; (across all 331 pairs:
1.405)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST3f.pdb, chain (blank) (#1050), sequence
alignment score = 1640.8
RMSD between 287 pruned atom pairs is 0.925 angstroms; (across all 331 pairs:
1.546)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST3f.pdb, chain (blank) (#1051), sequence
alignment score = 1620.4
RMSD between 266 pruned atom pairs is 0.972 angstroms; (across all 331 pairs:
1.748)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST3f.pdb, chain (blank) (#1052), sequence
alignment score = 1648
RMSD between 284 pruned atom pairs is 1.000 angstroms; (across all 331 pairs:
1.580)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST3f.pdb, chain (blank) (#1053), sequence
alignment score = 1671.4
RMSD between 285 pruned atom pairs is 0.881 angstroms; (across all 331 pairs:
1.512)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST3f.pdb, chain (blank) (#1054), sequence
alignment score = 1619.2
RMSD between 294 pruned atom pairs is 0.980 angstroms; (across all 331 pairs:
1.528)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST3f.pdb, chain (blank) (#1055), sequence
alignment score = 1668.4
RMSD between 271 pruned atom pairs is 0.974 angstroms; (across all 331 pairs:
1.890)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST3f.pdb, chain (blank) (#1056), sequence
alignment score = 1609.6
RMSD between 287 pruned atom pairs is 0.961 angstroms; (across all 331 pairs:
1.531)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST3f.pdb, chain (blank) (#1057), sequence
alignment score = 1649.2
RMSD between 286 pruned atom pairs is 0.924 angstroms; (across all 331 pairs:
1.667)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST3f.pdb, chain (blank) (#1058), sequence
alignment score = 1664.8
RMSD between 278 pruned atom pairs is 0.988 angstroms; (across all 331 pairs:
1.625)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST3f.pdb, chain (blank) (#1059), sequence
alignment score = 1609.6
RMSD between 282 pruned atom pairs is 0.901 angstroms; (across all 331 pairs:
1.665)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST3f.pdb, chain (blank) (#1060), sequence
alignment score = 1625.2
RMSD between 290 pruned atom pairs is 0.914 angstroms; (across all 331 pairs:
1.651)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST3f.pdb, chain (blank) (#1061), sequence
alignment score = 1700.2
RMSD between 288 pruned atom pairs is 0.961 angstroms; (across all 331 pairs:
1.486)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST3f.pdb, chain (blank) (#1062), sequence
alignment score = 1619.2
RMSD between 283 pruned atom pairs is 0.969 angstroms; (across all 331 pairs:
1.547)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST3f.pdb, chain (blank) (#1063), sequence
alignment score = 1619.2
RMSD between 293 pruned atom pairs is 0.923 angstroms; (across all 331 pairs:
1.452)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST3f.pdb, chain (blank) (#1064), sequence
alignment score = 1601.2
RMSD between 279 pruned atom pairs is 0.969 angstroms; (across all 331 pairs:
1.652)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST3f.pdb, chain (blank) (#1065), sequence
alignment score = 1676.8
RMSD between 325 pruned atom pairs is 0.718 angstroms; (across all 331 pairs:
0.832)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST3f.pdb, chain (blank) (#1066), sequence
alignment score = 1602.4
RMSD between 323 pruned atom pairs is 0.760 angstroms; (across all 331 pairs:
0.867)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST3f.pdb, chain (blank) (#1067), sequence
alignment score = 1682.2
RMSD between 319 pruned atom pairs is 0.784 angstroms; (across all 331 pairs:
0.961)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST3f.pdb, chain (blank) (#1068), sequence
alignment score = 1649.8
RMSD between 323 pruned atom pairs is 0.762 angstroms; (across all 331 pairs:
0.863)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST3f.pdb, chain (blank) (#1069), sequence
alignment score = 1633
RMSD between 323 pruned atom pairs is 0.826 angstroms; (across all 331 pairs:
1.059)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST3f.pdb, chain (blank) (#1070), sequence
alignment score = 1742.8
RMSD between 331 pruned atom pairs is 0.000 angstroms; (across all 331 pairs:
0.000)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST3f.pdb, chain (blank) (#1071), sequence
alignment score = 1651.6
RMSD between 320 pruned atom pairs is 0.820 angstroms; (across all 331 pairs:
1.275)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST3f.pdb, chain (blank) (#1072), sequence
alignment score = 1589.2
RMSD between 321 pruned atom pairs is 0.726 angstroms; (across all 331 pairs:
0.911)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST3f.pdb, chain (blank) (#1073), sequence
alignment score = 1666.6
RMSD between 320 pruned atom pairs is 0.725 angstroms; (across all 331 pairs:
0.925)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST3f.pdb, chain (blank) (#1074), sequence
alignment score = 1639.6
RMSD between 323 pruned atom pairs is 0.786 angstroms; (across all 331 pairs:
0.870)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST3f.pdb, chain (blank) (#1075), sequence
alignment score = 1672
RMSD between 307 pruned atom pairs is 1.011 angstroms; (across all 331 pairs:
1.285)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST3f.pdb, chain (blank) (#1076), sequence
alignment score = 1638.4
RMSD between 318 pruned atom pairs is 0.807 angstroms; (across all 331 pairs:
1.030)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST3f.pdb, chain (blank) (#1077), sequence
alignment score = 1623.4
RMSD between 310 pruned atom pairs is 0.959 angstroms; (across all 331 pairs:
1.114)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST3f.pdb, chain (blank) (#1078), sequence
alignment score = 1688.8
RMSD between 316 pruned atom pairs is 0.973 angstroms; (across all 331 pairs:
1.118)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST3f.pdb, chain (blank) (#1079), sequence
alignment score = 1616.8
RMSD between 309 pruned atom pairs is 0.918 angstroms; (across all 331 pairs:
1.078)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST3f.pdb, chain (blank) (#1080), sequence
alignment score = 1662.4
RMSD between 311 pruned atom pairs is 0.948 angstroms; (across all 331 pairs:
1.136)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST3f.pdb, chain (blank) (#1081), sequence
alignment score = 1663
RMSD between 317 pruned atom pairs is 0.860 angstroms; (across all 331 pairs:
1.038)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST3f.pdb, chain (blank) (#1082), sequence
alignment score = 1633.6
RMSD between 321 pruned atom pairs is 0.875 angstroms; (across all 331 pairs:
0.990)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST3f.pdb, chain (blank) (#1083), sequence
alignment score = 1651.6
RMSD between 322 pruned atom pairs is 0.814 angstroms; (across all 331 pairs:
0.905)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST3f.pdb, chain (blank) (#1084), sequence
alignment score = 1691.8
RMSD between 323 pruned atom pairs is 0.752 angstroms; (across all 331 pairs:
0.867)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST3b.pdb, chain (blank) (#1085), sequence
alignment score = 1630.6
RMSD between 273 pruned atom pairs is 0.821 angstroms; (across all 331 pairs:
1.584)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST3b.pdb, chain (blank) (#1086), sequence
alignment score = 1582.6
RMSD between 284 pruned atom pairs is 0.876 angstroms; (across all 331 pairs:
1.753)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST3b.pdb, chain (blank) (#1087), sequence
alignment score = 1636
RMSD between 291 pruned atom pairs is 0.866 angstroms; (across all 331 pairs:
1.786)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST3b.pdb, chain (blank) (#1088), sequence
alignment score = 1622.2
RMSD between 276 pruned atom pairs is 0.989 angstroms; (across all 331 pairs:
1.783)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST3b.pdb, chain (blank) (#1089), sequence
alignment score = 1626.4
RMSD between 295 pruned atom pairs is 0.807 angstroms; (across all 331 pairs:
1.450)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST3b.pdb, chain (blank) (#1090), sequence
alignment score = 1658.2
RMSD between 285 pruned atom pairs is 0.876 angstroms; (across all 331 pairs:
1.630)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST3b.pdb, chain (blank) (#1091), sequence
alignment score = 1652.8
RMSD between 302 pruned atom pairs is 0.866 angstroms; (across all 331 pairs:
1.430)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST3b.pdb, chain (blank) (#1092), sequence
alignment score = 1630.6
RMSD between 296 pruned atom pairs is 0.826 angstroms; (across all 331 pairs:
1.607)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST3b.pdb, chain (blank) (#1093), sequence
alignment score = 1637.8
RMSD between 299 pruned atom pairs is 0.816 angstroms; (across all 331 pairs:
1.496)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST3b.pdb, chain (blank) (#1094), sequence
alignment score = 1601.8
RMSD between 292 pruned atom pairs is 0.799 angstroms; (across all 331 pairs:
1.624)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST3b.pdb, chain (blank) (#1095), sequence
alignment score = 1609
RMSD between 291 pruned atom pairs is 0.941 angstroms; (across all 331 pairs:
1.616)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST3b.pdb, chain (blank) (#1096), sequence
alignment score = 1627
RMSD between 277 pruned atom pairs is 0.941 angstroms; (across all 331 pairs:
1.747)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST3b.pdb, chain (blank) (#1097), sequence
alignment score = 1613.8
RMSD between 294 pruned atom pairs is 0.929 angstroms; (across all 331 pairs:
1.653)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST3b.pdb, chain (blank) (#1098), sequence
alignment score = 1580.2
RMSD between 290 pruned atom pairs is 0.906 angstroms; (across all 331 pairs:
1.650)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST3b.pdb, chain (blank) (#1099), sequence
alignment score = 1632.4
RMSD between 287 pruned atom pairs is 0.937 angstroms; (across all 331 pairs:
1.644)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST3b.pdb, chain (blank) (#1100), sequence
alignment score = 1630.6
RMSD between 298 pruned atom pairs is 0.795 angstroms; (across all 331 pairs:
1.488)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST3b.pdb, chain (blank) (#1101), sequence
alignment score = 1650.4
RMSD between 312 pruned atom pairs is 0.883 angstroms; (across all 331 pairs:
1.359)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST3b.pdb, chain (blank) (#1102), sequence
alignment score = 1645.6
RMSD between 282 pruned atom pairs is 0.893 angstroms; (across all 331 pairs:
1.604)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST3b.pdb, chain (blank) (#1103), sequence
alignment score = 1603
RMSD between 289 pruned atom pairs is 0.917 angstroms; (across all 331 pairs:
1.626)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST3b.pdb, chain (blank) (#1104), sequence
alignment score = 1622.8
RMSD between 282 pruned atom pairs is 0.881 angstroms; (across all 331 pairs:
1.753)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST3b.pdb, chain (blank) (#1105), sequence
alignment score = 1655.2
RMSD between 284 pruned atom pairs is 0.944 angstroms; (across all 331 pairs:
1.619)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST3b.pdb, chain (blank) (#1106), sequence
alignment score = 1640.2
RMSD between 282 pruned atom pairs is 0.917 angstroms; (across all 331 pairs:
1.574)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST3b.pdb, chain (blank) (#1107), sequence
alignment score = 1627
RMSD between 289 pruned atom pairs is 0.875 angstroms; (across all 331 pairs:
1.580)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST3b.pdb, chain (blank) (#1108), sequence
alignment score = 1627.6
RMSD between 266 pruned atom pairs is 0.926 angstroms; (across all 331 pairs:
1.682)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST3b.pdb, chain (blank) (#1109), sequence
alignment score = 1629.4
RMSD between 297 pruned atom pairs is 0.904 angstroms; (across all 331 pairs:
1.405)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST3b.pdb, chain (blank) (#1110), sequence
alignment score = 1640.8
RMSD between 287 pruned atom pairs is 0.925 angstroms; (across all 331 pairs:
1.546)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST3b.pdb, chain (blank) (#1111), sequence
alignment score = 1620.4
RMSD between 266 pruned atom pairs is 0.972 angstroms; (across all 331 pairs:
1.748)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST3b.pdb, chain (blank) (#1112), sequence
alignment score = 1648
RMSD between 284 pruned atom pairs is 1.000 angstroms; (across all 331 pairs:
1.580)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST3b.pdb, chain (blank) (#1113), sequence
alignment score = 1671.4
RMSD between 285 pruned atom pairs is 0.881 angstroms; (across all 331 pairs:
1.512)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST3b.pdb, chain (blank) (#1114), sequence
alignment score = 1619.2
RMSD between 294 pruned atom pairs is 0.980 angstroms; (across all 331 pairs:
1.528)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST3b.pdb, chain (blank) (#1115), sequence
alignment score = 1668.4
RMSD between 271 pruned atom pairs is 0.974 angstroms; (across all 331 pairs:
1.890)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST3b.pdb, chain (blank) (#1116), sequence
alignment score = 1609.6
RMSD between 287 pruned atom pairs is 0.961 angstroms; (across all 331 pairs:
1.531)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST3b.pdb, chain (blank) (#1117), sequence
alignment score = 1649.2
RMSD between 286 pruned atom pairs is 0.924 angstroms; (across all 331 pairs:
1.667)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST3b.pdb, chain (blank) (#1118), sequence
alignment score = 1664.8
RMSD between 278 pruned atom pairs is 0.988 angstroms; (across all 331 pairs:
1.625)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST3b.pdb, chain (blank) (#1119), sequence
alignment score = 1609.6
RMSD between 282 pruned atom pairs is 0.901 angstroms; (across all 331 pairs:
1.665)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST3b.pdb, chain (blank) (#1120), sequence
alignment score = 1625.2
RMSD between 290 pruned atom pairs is 0.914 angstroms; (across all 331 pairs:
1.651)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST3b.pdb, chain (blank) (#1121), sequence
alignment score = 1700.2
RMSD between 288 pruned atom pairs is 0.961 angstroms; (across all 331 pairs:
1.486)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST3b.pdb, chain (blank) (#1122), sequence
alignment score = 1619.2
RMSD between 283 pruned atom pairs is 0.969 angstroms; (across all 331 pairs:
1.547)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST3b.pdb, chain (blank) (#1123), sequence
alignment score = 1619.2
RMSD between 293 pruned atom pairs is 0.923 angstroms; (across all 331 pairs:
1.452)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST3b.pdb, chain (blank) (#1124), sequence
alignment score = 1601.2
RMSD between 279 pruned atom pairs is 0.969 angstroms; (across all 331 pairs:
1.652)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST3b.pdb, chain (blank) (#1125), sequence
alignment score = 1676.8
RMSD between 325 pruned atom pairs is 0.718 angstroms; (across all 331 pairs:
0.832)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST3b.pdb, chain (blank) (#1126), sequence
alignment score = 1602.4
RMSD between 323 pruned atom pairs is 0.760 angstroms; (across all 331 pairs:
0.867)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST3b.pdb, chain (blank) (#1127), sequence
alignment score = 1682.2
RMSD between 319 pruned atom pairs is 0.784 angstroms; (across all 331 pairs:
0.961)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST3b.pdb, chain (blank) (#1128), sequence
alignment score = 1649.8
RMSD between 323 pruned atom pairs is 0.762 angstroms; (across all 331 pairs:
0.863)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST3b.pdb, chain (blank) (#1129), sequence
alignment score = 1633
RMSD between 323 pruned atom pairs is 0.826 angstroms; (across all 331 pairs:
1.059)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST3b.pdb, chain (blank) (#1130), sequence
alignment score = 1742.8
RMSD between 331 pruned atom pairs is 0.000 angstroms; (across all 331 pairs:
0.000)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST3b.pdb, chain (blank) (#1131), sequence
alignment score = 1651.6
RMSD between 320 pruned atom pairs is 0.820 angstroms; (across all 331 pairs:
1.275)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST3b.pdb, chain (blank) (#1132), sequence
alignment score = 1589.2
RMSD between 321 pruned atom pairs is 0.726 angstroms; (across all 331 pairs:
0.911)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST3b.pdb, chain (blank) (#1133), sequence
alignment score = 1666.6
RMSD between 320 pruned atom pairs is 0.725 angstroms; (across all 331 pairs:
0.925)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST3b.pdb, chain (blank) (#1134), sequence
alignment score = 1639.6
RMSD between 323 pruned atom pairs is 0.786 angstroms; (across all 331 pairs:
0.870)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST3b.pdb, chain (blank) (#1135), sequence
alignment score = 1672
RMSD between 307 pruned atom pairs is 1.011 angstroms; (across all 331 pairs:
1.285)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST3b.pdb, chain (blank) (#1136), sequence
alignment score = 1638.4
RMSD between 318 pruned atom pairs is 0.807 angstroms; (across all 331 pairs:
1.030)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST3b.pdb, chain (blank) (#1137), sequence
alignment score = 1623.4
RMSD between 310 pruned atom pairs is 0.959 angstroms; (across all 331 pairs:
1.114)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST3b.pdb, chain (blank) (#1138), sequence
alignment score = 1688.8
RMSD between 316 pruned atom pairs is 0.973 angstroms; (across all 331 pairs:
1.118)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST3b.pdb, chain (blank) (#1139), sequence
alignment score = 1616.8
RMSD between 309 pruned atom pairs is 0.918 angstroms; (across all 331 pairs:
1.078)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST3b.pdb, chain (blank) (#1140), sequence
alignment score = 1662.4
RMSD between 311 pruned atom pairs is 0.948 angstroms; (across all 331 pairs:
1.136)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST3b.pdb, chain (blank) (#1141), sequence
alignment score = 1663
RMSD between 317 pruned atom pairs is 0.860 angstroms; (across all 331 pairs:
1.038)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST3b.pdb, chain (blank) (#1142), sequence
alignment score = 1633.6
RMSD between 321 pruned atom pairs is 0.875 angstroms; (across all 331 pairs:
0.990)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST3b.pdb, chain (blank) (#1143), sequence
alignment score = 1651.6
RMSD between 322 pruned atom pairs is 0.814 angstroms; (across all 331 pairs:
0.905)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST3b.pdb, chain (blank) (#1144), sequence
alignment score = 1691.8
RMSD between 323 pruned atom pairs is 0.752 angstroms; (across all 331 pairs:
0.867)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST4g.pdb, chain (blank) (#1145), sequence
alignment score = 1630.6
RMSD between 273 pruned atom pairs is 0.821 angstroms; (across all 331 pairs:
1.584)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST4g.pdb, chain (blank) (#1146), sequence
alignment score = 1582.6
RMSD between 284 pruned atom pairs is 0.876 angstroms; (across all 331 pairs:
1.753)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST4g.pdb, chain (blank) (#1147), sequence
alignment score = 1636
RMSD between 291 pruned atom pairs is 0.866 angstroms; (across all 331 pairs:
1.786)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST4g.pdb, chain (blank) (#1148), sequence
alignment score = 1622.2
RMSD between 276 pruned atom pairs is 0.989 angstroms; (across all 331 pairs:
1.783)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST4g.pdb, chain (blank) (#1149), sequence
alignment score = 1626.4
RMSD between 295 pruned atom pairs is 0.807 angstroms; (across all 331 pairs:
1.450)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST4g.pdb, chain (blank) (#1150), sequence
alignment score = 1658.2
RMSD between 285 pruned atom pairs is 0.876 angstroms; (across all 331 pairs:
1.630)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST4g.pdb, chain (blank) (#1151), sequence
alignment score = 1652.8
RMSD between 302 pruned atom pairs is 0.866 angstroms; (across all 331 pairs:
1.430)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST4g.pdb, chain (blank) (#1152), sequence
alignment score = 1630.6
RMSD between 296 pruned atom pairs is 0.826 angstroms; (across all 331 pairs:
1.607)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST4g.pdb, chain (blank) (#1153), sequence
alignment score = 1637.8
RMSD between 299 pruned atom pairs is 0.816 angstroms; (across all 331 pairs:
1.496)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST4g.pdb, chain (blank) (#1154), sequence
alignment score = 1601.8
RMSD between 292 pruned atom pairs is 0.799 angstroms; (across all 331 pairs:
1.624)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST4g.pdb, chain (blank) (#1155), sequence
alignment score = 1609
RMSD between 291 pruned atom pairs is 0.941 angstroms; (across all 331 pairs:
1.616)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST4g.pdb, chain (blank) (#1156), sequence
alignment score = 1627
RMSD between 277 pruned atom pairs is 0.941 angstroms; (across all 331 pairs:
1.747)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST4g.pdb, chain (blank) (#1157), sequence
alignment score = 1613.8
RMSD between 294 pruned atom pairs is 0.929 angstroms; (across all 331 pairs:
1.653)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST4g.pdb, chain (blank) (#1158), sequence
alignment score = 1580.2
RMSD between 290 pruned atom pairs is 0.906 angstroms; (across all 331 pairs:
1.650)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST4g.pdb, chain (blank) (#1159), sequence
alignment score = 1632.4
RMSD between 287 pruned atom pairs is 0.937 angstroms; (across all 331 pairs:
1.644)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST4g.pdb, chain (blank) (#1160), sequence
alignment score = 1630.6
RMSD between 298 pruned atom pairs is 0.795 angstroms; (across all 331 pairs:
1.488)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST4g.pdb, chain (blank) (#1161), sequence
alignment score = 1650.4
RMSD between 312 pruned atom pairs is 0.883 angstroms; (across all 331 pairs:
1.359)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST4g.pdb, chain (blank) (#1162), sequence
alignment score = 1645.6
RMSD between 282 pruned atom pairs is 0.893 angstroms; (across all 331 pairs:
1.604)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST4g.pdb, chain (blank) (#1163), sequence
alignment score = 1603
RMSD between 289 pruned atom pairs is 0.917 angstroms; (across all 331 pairs:
1.626)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST4g.pdb, chain (blank) (#1164), sequence
alignment score = 1622.8
RMSD between 282 pruned atom pairs is 0.881 angstroms; (across all 331 pairs:
1.753)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST4g.pdb, chain (blank) (#1165), sequence
alignment score = 1655.2
RMSD between 284 pruned atom pairs is 0.944 angstroms; (across all 331 pairs:
1.619)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST4g.pdb, chain (blank) (#1166), sequence
alignment score = 1640.2
RMSD between 282 pruned atom pairs is 0.917 angstroms; (across all 331 pairs:
1.574)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST4g.pdb, chain (blank) (#1167), sequence
alignment score = 1627
RMSD between 289 pruned atom pairs is 0.875 angstroms; (across all 331 pairs:
1.580)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST4g.pdb, chain (blank) (#1168), sequence
alignment score = 1627.6
RMSD between 266 pruned atom pairs is 0.926 angstroms; (across all 331 pairs:
1.682)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST4g.pdb, chain (blank) (#1169), sequence
alignment score = 1629.4
RMSD between 297 pruned atom pairs is 0.904 angstroms; (across all 331 pairs:
1.405)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST4g.pdb, chain (blank) (#1170), sequence
alignment score = 1640.8
RMSD between 287 pruned atom pairs is 0.925 angstroms; (across all 331 pairs:
1.546)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST4g.pdb, chain (blank) (#1171), sequence
alignment score = 1620.4
RMSD between 266 pruned atom pairs is 0.972 angstroms; (across all 331 pairs:
1.748)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST4g.pdb, chain (blank) (#1172), sequence
alignment score = 1648
RMSD between 284 pruned atom pairs is 1.000 angstroms; (across all 331 pairs:
1.580)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST4g.pdb, chain (blank) (#1173), sequence
alignment score = 1671.4
RMSD between 285 pruned atom pairs is 0.881 angstroms; (across all 331 pairs:
1.512)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST4g.pdb, chain (blank) (#1174), sequence
alignment score = 1619.2
RMSD between 294 pruned atom pairs is 0.980 angstroms; (across all 331 pairs:
1.528)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST4g.pdb, chain (blank) (#1175), sequence
alignment score = 1668.4
RMSD between 271 pruned atom pairs is 0.974 angstroms; (across all 331 pairs:
1.890)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST4g.pdb, chain (blank) (#1176), sequence
alignment score = 1609.6
RMSD between 287 pruned atom pairs is 0.961 angstroms; (across all 331 pairs:
1.531)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST4g.pdb, chain (blank) (#1177), sequence
alignment score = 1649.2
RMSD between 286 pruned atom pairs is 0.924 angstroms; (across all 331 pairs:
1.667)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST4g.pdb, chain (blank) (#1178), sequence
alignment score = 1664.8
RMSD between 278 pruned atom pairs is 0.988 angstroms; (across all 331 pairs:
1.625)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST4g.pdb, chain (blank) (#1179), sequence
alignment score = 1609.6
RMSD between 282 pruned atom pairs is 0.901 angstroms; (across all 331 pairs:
1.665)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST4g.pdb, chain (blank) (#1180), sequence
alignment score = 1625.2
RMSD between 290 pruned atom pairs is 0.914 angstroms; (across all 331 pairs:
1.651)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST4g.pdb, chain (blank) (#1181), sequence
alignment score = 1700.2
RMSD between 288 pruned atom pairs is 0.961 angstroms; (across all 331 pairs:
1.486)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST4g.pdb, chain (blank) (#1182), sequence
alignment score = 1619.2
RMSD between 283 pruned atom pairs is 0.969 angstroms; (across all 331 pairs:
1.547)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST4g.pdb, chain (blank) (#1183), sequence
alignment score = 1619.2
RMSD between 293 pruned atom pairs is 0.923 angstroms; (across all 331 pairs:
1.452)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST4g.pdb, chain (blank) (#1184), sequence
alignment score = 1601.2
RMSD between 279 pruned atom pairs is 0.969 angstroms; (across all 331 pairs:
1.652)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d10_ST4g.pdb, chain (blank) (#1185), sequence
alignment score = 1676.8
RMSD between 325 pruned atom pairs is 0.718 angstroms; (across all 331 pairs:
0.832)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d11_ST4g.pdb, chain (blank) (#1186), sequence
alignment score = 1602.4
RMSD between 323 pruned atom pairs is 0.760 angstroms; (across all 331 pairs:
0.867)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d12_ST4g.pdb, chain (blank) (#1187), sequence
alignment score = 1682.2
RMSD between 319 pruned atom pairs is 0.784 angstroms; (across all 331 pairs:
0.961)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d13_ST4g.pdb, chain (blank) (#1188), sequence
alignment score = 1649.8
RMSD between 323 pruned atom pairs is 0.762 angstroms; (across all 331 pairs:
0.863)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d14_ST4g.pdb, chain (blank) (#1189), sequence
alignment score = 1633
RMSD between 323 pruned atom pairs is 0.826 angstroms; (across all 331 pairs:
1.059)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d15_ST4g.pdb, chain (blank) (#1190), sequence
alignment score = 1742.8
RMSD between 331 pruned atom pairs is 0.000 angstroms; (across all 331 pairs:
0.000)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d16_ST4g.pdb, chain (blank) (#1191), sequence
alignment score = 1651.6
RMSD between 320 pruned atom pairs is 0.820 angstroms; (across all 331 pairs:
1.275)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d17_ST4g.pdb, chain (blank) (#1192), sequence
alignment score = 1589.2
RMSD between 321 pruned atom pairs is 0.726 angstroms; (across all 331 pairs:
0.911)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d18_ST4g.pdb, chain (blank) (#1193), sequence
alignment score = 1666.6
RMSD between 320 pruned atom pairs is 0.725 angstroms; (across all 331 pairs:
0.925)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d19_ST4g.pdb, chain (blank) (#1194), sequence
alignment score = 1639.6
RMSD between 323 pruned atom pairs is 0.786 angstroms; (across all 331 pairs:
0.870)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d1_ST4g.pdb, chain (blank) (#1195), sequence
alignment score = 1672
RMSD between 307 pruned atom pairs is 1.011 angstroms; (across all 331 pairs:
1.285)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d20_ST4g.pdb, chain (blank) (#1196), sequence
alignment score = 1638.4
RMSD between 318 pruned atom pairs is 0.807 angstroms; (across all 331 pairs:
1.030)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d2_ST4g.pdb, chain (blank) (#1197), sequence
alignment score = 1623.4
RMSD between 310 pruned atom pairs is 0.959 angstroms; (across all 331 pairs:
1.114)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d3_ST4g.pdb, chain (blank) (#1198), sequence
alignment score = 1688.8
RMSD between 316 pruned atom pairs is 0.973 angstroms; (across all 331 pairs:
1.118)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d4_ST4g.pdb, chain (blank) (#1199), sequence
alignment score = 1616.8
RMSD between 309 pruned atom pairs is 0.918 angstroms; (across all 331 pairs:
1.078)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d5_ST4g.pdb, chain (blank) (#1200), sequence
alignment score = 1662.4
RMSD between 311 pruned atom pairs is 0.948 angstroms; (across all 331 pairs:
1.136)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d6_ST4g.pdb, chain (blank) (#1201), sequence
alignment score = 1663
RMSD between 317 pruned atom pairs is 0.860 angstroms; (across all 331 pairs:
1.038)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d7_ST4g.pdb, chain (blank) (#1202), sequence
alignment score = 1633.6
RMSD between 321 pruned atom pairs is 0.875 angstroms; (across all 331 pairs:
0.990)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d8_ST4g.pdb, chain (blank) (#1203), sequence
alignment score = 1651.6
RMSD between 322 pruned atom pairs is 0.814 angstroms; (across all 331 pairs:
0.905)
Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb,
chain (blank) (#4) with Bfact_d9_ST4g.pdb, chain (blank) (#1204), sequence
alignment score = 1691.8
RMSD between 323 pruned atom pairs is 0.752 angstroms; (across all 331 pairs:
0.867)
> save
> E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/docking_volume/mcr-1-3_123rep_ST3c_ST3f_ST3e_ST3b_ST4g.cxs
> select :325@Zn
602 atoms, 602 residues, 602 models selected
> hide sel & #5-604#!2 atoms
> select :333@Zn
602 atoms, 602 residues, 602 models selected
> hide sel & #605-1204 atoms
> select protein
3786320 atoms, 3855550 bonds, 393708 residues, 1204 models selected
> select :UNK
33120 atoms, 36480 bonds, 1200 residues, 1200 models selected
> hide sel atoms
> select protein
3786320 atoms, 3855550 bonds, 393708 residues, 1204 models selected
OpenGL version: 3.3.0 NVIDIA 466.60
OpenGL renderer: NVIDIA GeForce RTX 3050 Laptop GPU/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: ASUSTeK COMPUTER INC.
Model: Vivobook_ASUSLaptop X3500PC_K3500PC
OS: Microsoft Windows 10 Home Single Language (Build 19044)
Memory: 16,856,219,648
MaxProcessMemory: 137,438,953,344
CPU: 8 11th Gen Intel(R) Core(TM) i7-11370H @ 3.30GHz
OSLanguage: en-US
Locale: ('th_TH', 'cp1252')
PyQt5 5.15.2, Qt 5.15.2
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
Babel: 2.9.1
backcall: 0.2.0
blockdiag: 2.0.1
certifi: 2020.12.5
cftime: 1.5.0
chardet: 3.0.4
ChimeraX-AddCharge: 1.0.1
ChimeraX-AddH: 2.1.6
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.0
ChimeraX-Atomic: 1.13.2
ChimeraX-AtomicLibrary: 3.1.3
ChimeraX-AtomSearch: 2.0
ChimeraX-AtomSearchLibrary: 1.0
ChimeraX-AxesPlanes: 2.0
ChimeraX-BasicActions: 1.1
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 1.1
ChimeraX-BondRot: 2.0
ChimeraX-BugReporter: 1.0
ChimeraX-BuildStructure: 2.5.2
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.1
ChimeraX-ButtonPanel: 1.0
ChimeraX-CageBuilder: 1.0
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.1
ChimeraX-ChemGroup: 2.0
ChimeraX-Clashes: 2.1
ChimeraX-ColorActions: 1.0
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.2.1
ChimeraX-CommandLine: 1.1.4
ChimeraX-ConnectStructure: 2.0
ChimeraX-Contacts: 1.0
ChimeraX-Core: 1.2.5
ChimeraX-CoreFormats: 1.0
ChimeraX-coulombic: 1.1.1
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0
ChimeraX-DataFormats: 1.1
ChimeraX-Dicom: 1.0
ChimeraX-DistMonitor: 1.1.3
ChimeraX-DistUI: 1.0
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ExperimentalCommands: 1.0
ChimeraX-FileHistory: 1.0
ChimeraX-FunctionKey: 1.0
ChimeraX-Geometry: 1.1
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.0
ChimeraX-Hbonds: 2.1
ChimeraX-Help: 1.1
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.0
ChimeraX-ImageFormats: 1.1
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-Label: 1.0
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.1
ChimeraX-Map: 1.0.2
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0
ChimeraX-MapFilter: 2.0
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.0
ChimeraX-Markers: 1.0
ChimeraX-Mask: 1.0
ChimeraX-MatchMaker: 1.2.1
ChimeraX-MDcrds: 2.2
ChimeraX-MedicalToolbar: 1.0.1
ChimeraX-Meeting: 1.0
ChimeraX-MLP: 1.1
ChimeraX-mmCIF: 2.3
ChimeraX-MMTF: 2.1
ChimeraX-Modeller: 1.0.1
ChimeraX-ModelPanel: 1.0.1
ChimeraX-ModelSeries: 1.0
ChimeraX-Mol2: 2.0
ChimeraX-Morph: 1.0
ChimeraX-MouseModes: 1.1
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nucleotides: 2.0.1
ChimeraX-OpenCommand: 1.5
ChimeraX-PDB: 2.4.1
ChimeraX-PDBBio: 1.0
ChimeraX-PDBLibrary: 1.0.1
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.0.1
ChimeraX-PubChem: 2.0.1
ChimeraX-ReadPbonds: 1.0
ChimeraX-Registration: 1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-ResidueFit: 1.0
ChimeraX-RestServer: 1.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 2.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.4
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0
ChimeraX-SeqView: 2.3
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0
ChimeraX-Shortcuts: 1.0
ChimeraX-ShowAttr: 1.0
ChimeraX-ShowSequences: 1.0
ChimeraX-SideView: 1.0
ChimeraX-Smiles: 2.0.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.3.1
ChimeraX-STL: 1.0
ChimeraX-Storm: 1.0
ChimeraX-Struts: 1.0
ChimeraX-Surface: 1.0
ChimeraX-SwapAA: 2.0
ChimeraX-SwapRes: 2.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.0.1
ChimeraX-ToolshedUtils: 1.2
ChimeraX-Tug: 1.0
ChimeraX-UI: 1.7.6
ChimeraX-uniprot: 2.1
ChimeraX-UnitCell: 1.0
ChimeraX-ViewDockX: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0
ChimeraX-WebServices: 1.0
ChimeraX-Zone: 1.0
colorama: 0.4.3
comtypes: 1.1.7
cxservices: 1.0
cycler: 0.10.0
Cython: 0.29.21
decorator: 5.0.9
distlib: 0.3.1
docutils: 0.16
filelock: 3.0.12
funcparserlib: 0.3.6
grako: 3.16.5
h5py: 2.10.0
html2text: 2020.1.16
idna: 2.10
ihm: 0.17
imagecodecs: 2020.5.30
imagesize: 1.2.0
ipykernel: 5.3.4
ipython: 7.18.1
ipython-genutils: 0.2.0
jedi: 0.17.2
Jinja2: 2.11.2
jupyter-client: 6.1.7
jupyter-core: 4.7.1
kiwisolver: 1.3.1
line-profiler: 2.1.2
lxml: 4.6.2
lz4: 3.1.0
MarkupSafe: 2.0.1
matplotlib: 3.3.2
msgpack: 1.0.0
netCDF4: 1.5.4
networkx: 2.5
numexpr: 2.7.3
numpy: 1.19.2
numpydoc: 1.1.0
openvr: 1.14.1501
packaging: 20.9
ParmEd: 3.2.0
parso: 0.7.1
pickleshare: 0.7.5
Pillow: 7.2.0
pip: 21.0.1
pkginfo: 1.5.0.1
prompt-toolkit: 3.0.18
psutil: 5.7.2
pycollada: 0.7.1
pydicom: 2.0.0
Pygments: 2.7.1
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 2.4.7
PyQt5-commercial: 5.15.2
PyQt5-sip: 12.8.1
PyQtWebEngine-commercial: 5.15.2
python-dateutil: 2.8.1
pytz: 2021.1
pywin32: 228
pyzmq: 22.0.3
qtconsole: 4.7.7
QtPy: 1.9.0
RandomWords: 0.3.0
requests: 2.24.0
scipy: 1.5.2
setuptools: 50.3.2
sfftk-rw: 0.6.7.dev1
six: 1.15.0
snowballstemmer: 2.1.0
sortedcontainers: 2.2.2
Sphinx: 3.2.1
sphinxcontrib-applehelp: 1.0.2
sphinxcontrib-blockdiag: 2.0.0
sphinxcontrib-devhelp: 1.0.2
sphinxcontrib-htmlhelp: 2.0.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.3
sphinxcontrib-serializinghtml: 1.1.5
suds-jurko: 0.6
tables: 3.6.1
tifffile: 2020.9.3
tinyarray: 1.2.3
tornado: 6.1
traitlets: 5.0.5
urllib3: 1.25.11
wcwidth: 0.2.5
webcolors: 1.11.1
wheel: 0.36.0
wheel-filename: 1.3.0
WMI: 1.5.1
Change History (2)
comment:1 by , 4 years ago
| Component: | Unassigned → Core |
|---|---|
| Description: | modified (diff) |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → No error |
comment:2 by , 4 years ago
| Resolution: | → duplicate |
|---|---|
| Status: | accepted → closed |
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