NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612154 |
5gsf   |
36016 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5gsf
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 392
_Distance_constraint_stats_list.Viol_count 911
_Distance_constraint_stats_list.Viol_total 1112.477
_Distance_constraint_stats_list.Viol_max 0.254
_Distance_constraint_stats_list.Viol_rms 0.0254
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0611
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 0.928 0.081 12 0 "[ . 1 . 2]"
1 2 ILE 6.794 0.223 17 0 "[ . 1 . 2]"
1 3 PRO 0.338 0.115 7 0 "[ . 1 . 2]"
1 4 ARG 8.020 0.223 17 0 "[ . 1 . 2]"
1 5 GLY 0.774 0.111 17 0 "[ . 1 . 2]"
1 6 GLY 3.741 0.181 17 0 "[ . 1 . 2]"
1 7 ILE 5.671 0.183 7 0 "[ . 1 . 2]"
1 8 CYS 6.522 0.189 18 0 "[ . 1 . 2]"
1 9 LEU 1.891 0.169 6 0 "[ . 1 . 2]"
1 10 VAL 6.430 0.191 16 0 "[ . 1 . 2]"
1 11 ALA 5.538 0.149 20 0 "[ . 1 . 2]"
1 12 LEU 4.004 0.139 11 0 "[ . 1 . 2]"
1 13 SER 1.930 0.096 16 0 "[ . 1 . 2]"
1 14 GLY 1.966 0.149 20 0 "[ . 1 . 2]"
1 15 CYS 1.450 0.084 18 0 "[ . 1 . 2]"
1 16 CYS 2.368 0.175 1 0 "[ . 1 . 2]"
1 17 ASN 2.913 0.175 1 0 "[ . 1 . 2]"
1 18 SER 3.389 0.254 1 0 "[ . 1 . 2]"
1 19 PRO 2.723 0.254 1 0 "[ . 1 . 2]"
1 20 GLY 4.783 0.193 15 0 "[ . 1 . 2]"
1 21 CYS 8.606 0.207 14 0 "[ . 1 . 2]"
1 22 ILE 2.943 0.170 6 0 "[ . 1 . 2]"
1 23 PHE 0.637 0.126 8 0 "[ . 1 . 2]"
1 24 GLY 0.248 0.062 16 0 "[ . 1 . 2]"
1 25 ILE 11.549 0.207 14 0 "[ . 1 . 2]"
1 26 CYS 3.754 0.155 13 0 "[ . 1 . 2]"
1 27 ALA 1.562 0.184 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ILE H 1 15 CYS QB 5.000 . 6.000 3.425 1.885 5.068 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE H 1 16 CYS QB 5.000 . 6.000 2.621 1.734 4.032 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE H 1 3 PRO QD 5.000 . 6.000 4.376 3.976 4.481 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 16 CYS HA 5.000 . 5.000 4.328 3.287 5.044 0.044 8 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 16 CYS H 5.000 . 5.000 2.508 1.893 3.220 . 0 0 "[ . 1 . 2]" 1
6 1 1 CYS QB 1 2 ILE H 5.000 3.200 6.000 3.414 3.169 3.891 0.031 8 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 15 CYS HA 5.000 3.200 5.000 3.289 3.121 3.600 0.079 17 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 19 PRO QG 5.000 3.200 6.000 5.673 5.285 6.041 0.041 13 0 "[ . 1 . 2]" 1
9 1 2 ILE H 1 2 ILE HB 5.000 3.200 5.000 3.637 3.111 3.880 0.089 9 0 "[ . 1 . 2]" 1
10 1 2 ILE H 1 2 ILE MD 3.400 . 4.400 3.403 1.844 4.133 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE H 1 2 ILE QG 3.400 . 4.400 2.285 1.783 2.816 . 0 0 "[ . 1 . 2]" 1
12 1 1 CYS HA 1 2 ILE H 3.400 . 3.400 2.189 2.121 2.339 . 0 0 "[ . 1 . 2]" 1
13 1 4 ARG H 1 4 ARG HE 5.000 . 6.000 4.554 2.829 5.890 . 0 0 "[ . 1 . 2]" 1
14 1 4 ARG H 1 5 GLY QA 5.000 . 6.000 5.060 4.479 5.317 . 0 0 "[ . 1 . 2]" 1
15 1 4 ARG H 1 17 ASN QD 5.000 . 6.000 4.103 2.576 5.768 . 0 0 "[ . 1 . 2]" 1
16 1 4 ARG H 1 16 CYS QB 5.000 . 6.000 5.854 5.048 6.043 0.043 19 0 "[ . 1 . 2]" 1
17 1 4 ARG H 1 26 CYS QB 5.000 . 6.000 5.042 4.650 5.717 . 0 0 "[ . 1 . 2]" 1
18 1 3 PRO QD 1 4 ARG H 5.000 3.200 6.000 4.454 3.188 4.941 0.012 7 0 "[ . 1 . 2]" 1
19 1 4 ARG H 1 6 GLY QA 5.000 . 6.000 6.073 5.753 6.181 0.181 17 0 "[ . 1 . 2]" 1
20 1 4 ARG H 1 5 GLY H 5.000 . 5.000 4.428 4.123 4.536 . 0 0 "[ . 1 . 2]" 1
21 1 3 PRO QG 1 4 ARG H 3.400 . 4.400 4.036 3.414 4.373 . 0 0 "[ . 1 . 2]" 1
22 1 4 ARG H 1 4 ARG QD 5.000 3.200 6.000 3.438 3.131 4.807 0.069 9 0 "[ . 1 . 2]" 1
23 1 4 ARG H 1 4 ARG QG 5.000 3.200 6.000 3.776 3.086 4.330 0.114 13 0 "[ . 1 . 2]" 1
24 1 4 ARG H 1 19 PRO QB 5.000 . 6.000 5.882 4.962 6.112 0.112 3 0 "[ . 1 . 2]" 1
25 1 4 ARG H 1 4 ARG QB 3.400 . 4.000 2.149 2.006 2.702 . 0 0 "[ . 1 . 2]" 1
26 1 3 PRO QB 1 4 ARG H 3.400 . 4.400 2.172 1.577 2.712 0.023 7 0 "[ . 1 . 2]" 1
27 1 3 PRO HA 1 4 ARG H 3.400 . 3.400 2.673 2.288 3.498 0.098 7 0 "[ . 1 . 2]" 1
28 1 5 GLY H 1 6 GLY QA 5.000 . 6.000 4.042 3.664 4.164 . 0 0 "[ . 1 . 2]" 1
29 1 2 ILE QG 1 5 GLY H 5.000 . 6.000 5.970 5.389 6.064 0.064 12 0 "[ . 1 . 2]" 1
30 1 4 ARG QD 1 5 GLY H 5.000 3.200 6.000 4.492 3.089 5.714 0.111 17 0 "[ . 1 . 2]" 1
31 1 5 GLY H 1 26 CYS H 5.000 . 5.000 2.889 2.375 3.509 . 0 0 "[ . 1 . 2]" 1
32 1 4 ARG QB 1 5 GLY H 5.000 3.200 6.000 3.501 3.179 3.882 0.021 9 0 "[ . 1 . 2]" 1
33 1 4 ARG QG 1 5 GLY H 5.000 3.200 6.000 3.441 3.169 4.093 0.031 6 0 "[ . 1 . 2]" 1
34 1 5 GLY H 1 26 CYS QB 5.000 . 6.000 2.708 1.929 3.591 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLY H 1 6 GLY H 5.000 . 5.000 2.053 1.596 2.253 0.004 13 0 "[ . 1 . 2]" 1
36 1 5 GLY H 1 25 ILE MD 5.000 . 6.000 4.817 4.622 5.059 . 0 0 "[ . 1 . 2]" 1
37 1 4 ARG HA 1 5 GLY H 3.400 . 3.400 2.116 2.077 2.158 . 0 0 "[ . 1 . 2]" 1
38 1 3 PRO QD 1 6 GLY H 5.000 . 6.000 5.299 4.787 6.004 0.004 4 0 "[ . 1 . 2]" 1
39 1 3 PRO QB 1 6 GLY H 5.000 . 6.000 5.645 4.894 6.115 0.115 7 0 "[ . 1 . 2]" 1
40 1 4 ARG QB 1 6 GLY H 5.000 . 6.000 5.173 4.741 5.520 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLY H 1 26 CYS H 5.000 . 5.000 1.891 1.595 2.216 0.005 20 0 "[ . 1 . 2]" 1
42 1 6 GLY H 1 7 ILE H 5.000 . 5.000 2.785 2.175 3.196 . 0 0 "[ . 1 . 2]" 1
43 1 4 ARG HA 1 6 GLY H 5.000 . 5.000 3.641 3.228 4.015 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLY QA 1 6 GLY H 3.400 . 4.400 2.775 2.654 2.885 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLY H 1 26 CYS QB 5.000 . 6.000 2.351 1.738 3.230 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLY H 1 25 ILE MD 5.000 . 6.000 5.219 4.729 5.542 . 0 0 "[ . 1 . 2]" 1
47 1 2 ILE QG 1 6 GLY H 5.000 . 6.000 4.981 4.426 5.308 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE H 1 8 CYS H 5.000 . 5.000 4.070 3.899 4.202 . 0 0 "[ . 1 . 2]" 1
49 1 7 ILE H 1 25 ILE MD 5.000 . 6.000 5.240 4.661 6.046 0.046 7 0 "[ . 1 . 2]" 1
50 1 2 ILE QG 1 7 ILE H 5.000 . 6.000 5.011 3.571 6.014 0.014 18 0 "[ . 1 . 2]" 1
51 1 7 ILE H 1 7 ILE QG 5.000 3.200 6.000 3.139 3.017 3.444 0.183 7 0 "[ . 1 . 2]" 1
52 1 7 ILE H 1 7 ILE MD 5.000 3.200 6.000 3.670 3.170 4.692 0.030 7 0 "[ . 1 . 2]" 1
53 1 7 ILE H 1 12 LEU QB 5.000 . 6.000 5.626 4.514 6.061 0.061 20 0 "[ . 1 . 2]" 1
54 1 7 ILE H 1 7 ILE MG 3.400 . 4.400 3.402 2.530 4.023 . 0 0 "[ . 1 . 2]" 1
55 1 6 GLY QA 1 7 ILE H 3.400 . 4.400 2.501 2.159 2.908 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE H 1 7 ILE HB 5.000 3.200 5.000 4.006 3.846 4.079 . 0 0 "[ . 1 . 2]" 1
57 1 8 CYS H 1 25 ILE H 5.000 . 5.000 3.437 2.747 3.883 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE QG 1 8 CYS H 5.000 3.200 6.000 4.600 4.376 4.769 . 0 0 "[ . 1 . 2]" 1
59 1 8 CYS H 1 26 CYS H 5.000 . 5.000 4.220 3.916 4.576 . 0 0 "[ . 1 . 2]" 1
60 1 8 CYS H 1 8 CYS QB 3.400 . 4.000 2.739 2.627 2.844 . 0 0 "[ . 1 . 2]" 1
61 1 8 CYS H 1 25 ILE HA 5.000 . 5.000 4.232 3.905 4.511 . 0 0 "[ . 1 . 2]" 1
62 1 8 CYS H 1 25 ILE MD 5.000 . 6.000 4.970 4.741 5.350 . 0 0 "[ . 1 . 2]" 1
63 1 7 ILE MD 1 8 CYS H 5.000 3.200 6.000 4.322 3.890 5.194 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE MG 1 8 CYS H 3.400 . 4.400 3.464 2.596 4.005 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE HA 1 8 CYS H 3.400 . 3.400 2.200 2.146 2.277 . 0 0 "[ . 1 . 2]" 1
66 1 8 CYS HA 1 9 LEU H 3.400 . 3.400 3.491 3.364 3.569 0.169 6 0 "[ . 1 . 2]" 1
67 1 10 VAL H 1 12 LEU QB 5.000 . 6.000 4.936 4.618 5.491 . 0 0 "[ . 1 . 2]" 1
68 1 10 VAL H 1 10 VAL HB 3.400 . 3.400 2.781 2.560 2.947 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL H 1 10 VAL QG 3.400 . 5.100 2.101 1.922 2.402 . 0 0 "[ . 1 . 2]" 1
70 1 8 CYS HA 1 11 ALA H 5.000 . 5.000 3.854 3.576 4.284 . 0 0 "[ . 1 . 2]" 1
71 1 11 ALA H 1 12 LEU QB 5.000 . 6.000 3.887 3.729 4.222 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL HB 1 11 ALA H 5.000 3.200 5.000 3.907 3.186 4.174 0.014 16 0 "[ . 1 . 2]" 1
73 1 10 VAL HA 1 11 ALA H 3.400 . 3.400 3.490 3.427 3.536 0.136 6 0 "[ . 1 . 2]" 1
74 1 10 VAL QG 1 11 ALA H 3.400 . 5.800 2.485 1.961 3.571 . 0 0 "[ . 1 . 2]" 1
75 1 11 ALA H 1 11 ALA MB 3.400 . 4.000 2.650 2.567 2.740 . 0 0 "[ . 1 . 2]" 1
76 1 12 LEU H 1 13 SER H 5.000 . 5.000 4.328 3.644 4.514 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU H 1 12 LEU QD 3.400 . 5.100 3.607 3.068 3.847 . 0 0 "[ . 1 . 2]" 1
78 1 11 ALA MB 1 12 LEU H 3.400 . 4.400 2.499 2.359 2.623 . 0 0 "[ . 1 . 2]" 1
79 1 12 LEU H 1 12 LEU QB 3.400 . 4.000 2.183 2.090 2.384 . 0 0 "[ . 1 . 2]" 1
80 1 12 LEU H 1 12 LEU HG 5.000 3.200 5.000 4.177 3.798 4.609 . 0 0 "[ . 1 . 2]" 1
81 1 11 ALA HA 1 12 LEU H 3.400 . 3.400 3.517 3.502 3.539 0.139 11 0 "[ . 1 . 2]" 1
82 1 8 CYS QB 1 13 SER H 5.000 . 6.000 5.075 4.695 5.507 . 0 0 "[ . 1 . 2]" 1
83 1 13 SER H 1 21 CYS QB 5.000 . 6.000 6.034 6.008 6.084 0.084 15 0 "[ . 1 . 2]" 1
84 1 13 SER H 1 14 GLY H 5.000 . 5.000 2.027 1.544 4.243 0.056 19 0 "[ . 1 . 2]" 1
85 1 13 SER H 1 13 SER QB 3.400 . 4.000 2.684 2.241 3.317 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU QB 1 13 SER H 3.400 . 4.400 2.467 1.993 4.045 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU HA 1 13 SER H 3.400 . 3.400 2.691 2.403 2.878 . 0 0 "[ . 1 . 2]" 1
88 1 13 SER QB 1 14 GLY H 5.000 . 6.000 3.045 2.684 3.825 . 0 0 "[ . 1 . 2]" 1
89 1 13 SER HA 1 14 GLY H 3.400 . 3.400 3.322 2.144 3.496 0.096 16 0 "[ . 1 . 2]" 1
90 1 8 CYS QB 1 15 CYS H 5.000 . 6.000 4.337 3.389 5.255 . 0 0 "[ . 1 . 2]" 1
91 1 15 CYS H 1 16 CYS H 5.000 . 5.000 4.370 4.155 4.597 . 0 0 "[ . 1 . 2]" 1
92 1 15 CYS H 1 21 CYS QB 5.000 . 6.000 5.753 5.247 6.027 0.027 20 0 "[ . 1 . 2]" 1
93 1 2 ILE MD 1 15 CYS H 5.000 3.200 6.000 4.727 3.932 5.544 . 0 0 "[ . 1 . 2]" 1
94 1 14 GLY QA 1 15 CYS H 3.400 . 4.400 2.209 2.103 2.397 . 0 0 "[ . 1 . 2]" 1
95 1 15 CYS H 1 15 CYS QB 3.400 . 4.000 2.589 2.222 2.912 . 0 0 "[ . 1 . 2]" 1
96 1 16 CYS H 1 26 CYS QB 5.000 . 6.000 5.309 4.426 5.895 . 0 0 "[ . 1 . 2]" 1
97 1 16 CYS H 1 17 ASN QB 5.000 . 6.000 5.462 4.542 6.049 0.049 3 0 "[ . 1 . 2]" 1
98 1 2 ILE HA 1 16 CYS H 5.000 . 5.000 4.802 4.333 5.045 0.045 3 0 "[ . 1 . 2]" 1
99 1 16 CYS H 1 19 PRO QG 5.000 . 6.000 3.600 3.131 4.130 . 0 0 "[ . 1 . 2]" 1
100 1 1 CYS HA 1 16 CYS H 5.000 . 5.000 3.828 2.868 5.016 0.016 2 0 "[ . 1 . 2]" 1
101 1 1 CYS QB 1 16 CYS H 5.000 . 6.000 4.635 4.228 5.242 . 0 0 "[ . 1 . 2]" 1
102 1 2 ILE MD 1 16 CYS H 5.000 . 6.000 3.958 2.332 4.787 . 0 0 "[ . 1 . 2]" 1
103 1 2 ILE QG 1 16 CYS H 5.000 . 6.000 3.473 2.539 4.450 . 0 0 "[ . 1 . 2]" 1
104 1 15 CYS QB 1 16 CYS H 3.400 . 4.400 2.227 1.654 3.291 . 0 0 "[ . 1 . 2]" 1
105 1 2 ILE HB 1 16 CYS H 5.000 3.200 5.000 4.779 3.744 5.151 0.151 17 0 "[ . 1 . 2]" 1
106 1 16 CYS H 1 17 ASN H 5.000 . 5.000 3.982 2.446 4.628 . 0 0 "[ . 1 . 2]" 1
107 1 16 CYS H 1 16 CYS QB 3.400 . 4.000 2.209 2.125 2.382 . 0 0 "[ . 1 . 2]" 1
108 1 15 CYS HA 1 16 CYS H 3.400 . 3.400 2.763 2.373 3.009 . 0 0 "[ . 1 . 2]" 1
109 1 1 CYS QB 1 17 ASN H 5.000 . 6.000 5.836 5.184 6.081 0.081 12 0 "[ . 1 . 2]" 1
110 1 15 CYS QB 1 17 ASN H 5.000 . 6.000 4.908 2.913 6.059 0.059 19 0 "[ . 1 . 2]" 1
111 1 16 CYS HA 1 17 ASN H 3.400 . 3.400 2.752 2.333 3.575 0.175 1 0 "[ . 1 . 2]" 1
112 1 16 CYS QB 1 17 ASN H 3.400 . 4.400 2.595 2.136 3.235 . 0 0 "[ . 1 . 2]" 1
113 1 17 ASN H 1 17 ASN QB 3.400 . 4.000 3.076 2.420 3.480 . 0 0 "[ . 1 . 2]" 1
114 1 18 SER H 1 19 PRO HA 5.000 . 5.000 4.801 4.339 5.254 0.254 1 0 "[ . 1 . 2]" 1
115 1 17 ASN QD 1 18 SER H 5.000 . 6.000 2.868 1.545 4.263 0.055 17 0 "[ . 1 . 2]" 1
116 1 16 CYS QB 1 18 SER H 5.000 . 6.000 5.638 4.715 6.009 0.009 20 0 "[ . 1 . 2]" 1
117 1 18 SER H 1 27 ALA MB 5.000 . 6.000 5.515 4.634 6.184 0.184 6 0 "[ . 1 . 2]" 1
118 1 17 ASN QB 1 18 SER H 3.400 . 4.400 1.842 1.656 3.025 . 0 0 "[ . 1 . 2]" 1
119 1 18 SER H 1 18 SER QB 3.400 . 4.000 2.591 2.387 3.350 . 0 0 "[ . 1 . 2]" 1
120 1 17 ASN HA 1 18 SER H 3.400 . 3.400 3.163 2.134 3.516 0.116 17 0 "[ . 1 . 2]" 1
121 1 20 GLY H 1 22 ILE MD 5.000 . 6.000 5.484 5.115 6.102 0.102 9 0 "[ . 1 . 2]" 1
122 1 19 PRO QG 1 20 GLY H 5.000 3.200 6.000 4.485 3.132 4.963 0.068 14 0 "[ . 1 . 2]" 1
123 1 19 PRO QB 1 20 GLY H 5.000 3.200 6.000 3.597 3.072 3.812 0.128 14 0 "[ . 1 . 2]" 1
124 1 19 PRO HA 1 20 GLY H 5.000 . 5.000 2.565 2.189 3.596 . 0 0 "[ . 1 . 2]" 1
125 1 15 CYS QB 1 20 GLY H 5.000 3.200 6.000 5.663 4.341 6.084 0.084 18 0 "[ . 1 . 2]" 1
126 1 18 SER QB 1 20 GLY H 5.000 . 6.000 4.681 4.373 5.036 . 0 0 "[ . 1 . 2]" 1
127 1 20 GLY H 1 21 CYS H 5.000 . 5.000 2.756 2.597 2.938 . 0 0 "[ . 1 . 2]" 1
128 1 20 GLY H 1 27 ALA MB 5.000 . 6.000 2.398 1.552 4.320 0.048 1 0 "[ . 1 . 2]" 1
129 1 18 SER HA 1 20 GLY H 5.000 3.200 5.000 4.799 3.661 5.193 0.193 15 0 "[ . 1 . 2]" 1
130 1 21 CYS H 1 22 ILE MD 5.000 . 6.000 4.544 3.227 4.844 . 0 0 "[ . 1 . 2]" 1
131 1 21 CYS H 1 27 ALA H 5.000 . 5.000 2.611 1.644 3.722 . 0 0 "[ . 1 . 2]" 1
132 1 12 LEU QD 1 21 CYS H 5.000 . 7.400 7.411 7.140 7.467 0.067 1 0 "[ . 1 . 2]" 1
133 1 10 VAL QG 1 21 CYS H 5.000 . 7.400 7.510 7.473 7.553 0.153 6 0 "[ . 1 . 2]" 1
134 1 15 CYS QB 1 21 CYS H 5.000 . 6.000 5.456 4.615 6.009 0.009 11 0 "[ . 1 . 2]" 1
135 1 21 CYS H 1 21 CYS QB 3.400 . 4.000 3.396 3.339 3.454 . 0 0 "[ . 1 . 2]" 1
136 1 20 GLY QA 1 21 CYS H 3.400 . 4.400 2.850 2.796 2.904 . 0 0 "[ . 1 . 2]" 1
137 1 22 ILE H 1 25 ILE MD 5.000 . 6.000 3.124 2.773 3.652 . 0 0 "[ . 1 . 2]" 1
138 1 21 CYS QB 1 22 ILE H 3.400 . 4.400 3.450 3.325 3.565 . 0 0 "[ . 1 . 2]" 1
139 1 22 ILE H 1 26 CYS HA 5.000 . 5.000 3.072 2.742 3.426 . 0 0 "[ . 1 . 2]" 1
140 1 22 ILE H 1 22 ILE MD 5.000 3.200 6.000 3.792 3.170 4.014 0.030 7 0 "[ . 1 . 2]" 1
141 1 22 ILE H 1 25 ILE H 5.000 . 5.000 3.590 3.455 3.709 . 0 0 "[ . 1 . 2]" 1
142 1 22 ILE H 1 22 ILE QG 3.400 . 4.400 2.217 2.104 2.341 . 0 0 "[ . 1 . 2]" 1
143 1 22 ILE H 1 22 ILE MG 3.400 . 4.400 3.937 3.907 3.967 . 0 0 "[ . 1 . 2]" 1
144 1 22 ILE H 1 22 ILE HB 3.400 . 3.400 3.170 3.000 3.274 . 0 0 "[ . 1 . 2]" 1
145 1 21 CYS HA 1 22 ILE H 3.400 . 3.400 2.077 2.018 2.143 . 0 0 "[ . 1 . 2]" 1
146 1 23 PHE H 1 25 ILE H 5.000 . 5.000 4.615 4.474 4.758 . 0 0 "[ . 1 . 2]" 1
147 1 22 ILE H 1 23 PHE H 5.000 . 5.000 4.369 4.139 4.465 . 0 0 "[ . 1 . 2]" 1
148 1 22 ILE HB 1 23 PHE H 3.400 . 3.400 2.565 1.735 3.171 . 0 0 "[ . 1 . 2]" 1
149 1 22 ILE MD 1 23 PHE H 5.000 3.200 6.000 4.380 3.783 4.785 . 0 0 "[ . 1 . 2]" 1
150 1 23 PHE H 1 24 GLY H 5.000 . 5.000 4.164 4.011 4.244 . 0 0 "[ . 1 . 2]" 1
151 1 23 PHE H 1 23 PHE QB 3.400 . 4.000 2.238 2.196 2.296 . 0 0 "[ . 1 . 2]" 1
152 1 10 VAL QG 1 23 PHE H 5.000 . 7.400 4.976 4.069 5.425 . 0 0 "[ . 1 . 2]" 1
153 1 23 PHE H 1 23 PHE QD 5.000 3.200 6.000 4.120 4.073 4.185 . 0 0 "[ . 1 . 2]" 1
154 1 22 ILE QG 1 23 PHE H 5.000 3.200 6.000 4.156 3.812 4.360 . 0 0 "[ . 1 . 2]" 1
155 1 22 ILE HA 1 23 PHE H 3.400 . 3.400 2.679 2.425 3.068 . 0 0 "[ . 1 . 2]" 1
156 1 23 PHE QB 1 24 GLY H 3.400 . 4.400 3.995 3.914 4.046 . 0 0 "[ . 1 . 2]" 1
157 1 22 ILE QG 1 24 GLY H 5.000 . 6.000 5.829 5.234 6.062 0.062 16 0 "[ . 1 . 2]" 1
158 1 24 GLY H 1 25 ILE MD 5.000 . 6.000 4.230 3.996 4.516 . 0 0 "[ . 1 . 2]" 1
159 1 23 PHE HA 1 24 GLY H 3.400 . 3.400 2.238 2.158 2.338 . 0 0 "[ . 1 . 2]" 1
160 1 10 VAL QG 1 24 GLY H 5.000 . 7.400 2.217 1.694 2.697 . 0 0 "[ . 1 . 2]" 1
161 1 24 GLY H 1 25 ILE H 5.000 . 5.000 2.380 2.204 2.655 . 0 0 "[ . 1 . 2]" 1
162 1 22 ILE MD 1 25 ILE H 5.000 . 6.000 5.044 4.321 5.666 . 0 0 "[ . 1 . 2]" 1
163 1 8 CYS QB 1 25 ILE H 5.000 . 6.000 5.102 4.487 5.496 . 0 0 "[ . 1 . 2]" 1
164 1 22 ILE HB 1 25 ILE H 5.000 . 5.000 3.838 3.191 4.524 . 0 0 "[ . 1 . 2]" 1
165 1 23 PHE QD 1 25 ILE H 5.000 . 6.000 5.866 5.720 6.008 0.008 14 0 "[ . 1 . 2]" 1
166 1 23 PHE QB 1 25 ILE H 5.000 . 6.000 5.162 5.013 5.253 . 0 0 "[ . 1 . 2]" 1
167 1 7 ILE MG 1 25 ILE H 5.000 . 6.000 3.128 2.772 3.413 . 0 0 "[ . 1 . 2]" 1
168 1 22 ILE QG 1 25 ILE H 5.000 . 6.000 4.514 3.873 4.763 . 0 0 "[ . 1 . 2]" 1
169 1 6 GLY QA 1 25 ILE H 5.000 . 6.000 6.076 6.003 6.135 0.135 19 0 "[ . 1 . 2]" 1
170 1 23 PHE HA 1 25 ILE H 5.000 . 5.000 4.079 3.978 4.177 . 0 0 "[ . 1 . 2]" 1
171 1 25 ILE H 1 26 CYS H 5.000 . 5.000 4.173 4.089 4.290 . 0 0 "[ . 1 . 2]" 1
172 1 21 CYS HA 1 25 ILE H 5.000 . 5.000 5.118 5.021 5.207 0.207 14 0 "[ . 1 . 2]" 1
173 1 25 ILE H 1 25 ILE QG 3.400 . 4.400 2.877 2.752 3.042 . 0 0 "[ . 1 . 2]" 1
174 1 24 GLY QA 1 25 ILE H 3.400 . 4.400 2.950 2.814 2.996 . 0 0 "[ . 1 . 2]" 1
175 1 25 ILE H 1 25 ILE MG 5.000 3.200 6.000 3.766 3.695 3.815 . 0 0 "[ . 1 . 2]" 1
176 1 25 ILE H 1 25 ILE MD 3.400 . 4.400 2.574 2.231 2.940 . 0 0 "[ . 1 . 2]" 1
177 1 25 ILE H 1 25 ILE HB 5.000 3.200 5.000 3.940 3.901 4.012 . 0 0 "[ . 1 . 2]" 1
178 1 7 ILE H 1 26 CYS H 5.000 . 5.000 2.025 1.568 2.828 0.032 8 0 "[ . 1 . 2]" 1
179 1 22 ILE H 1 26 CYS H 5.000 . 5.000 4.955 4.773 5.086 0.086 15 0 "[ . 1 . 2]" 1
180 1 8 CYS QB 1 26 CYS H 5.000 . 6.000 4.139 3.905 4.320 . 0 0 "[ . 1 . 2]" 1
181 1 5 GLY QA 1 26 CYS H 5.000 . 6.000 3.364 2.616 4.178 . 0 0 "[ . 1 . 2]" 1
182 1 4 ARG QG 1 26 CYS H 5.000 . 6.000 5.529 4.981 6.019 0.019 12 0 "[ . 1 . 2]" 1
183 1 21 CYS HA 1 26 CYS H 5.000 . 5.000 5.045 4.993 5.110 0.110 11 0 "[ . 1 . 2]" 1
184 1 6 GLY QA 1 26 CYS H 5.000 . 6.000 3.283 2.958 3.552 . 0 0 "[ . 1 . 2]" 1
185 1 7 ILE MG 1 26 CYS H 5.000 . 6.000 4.353 3.961 5.026 . 0 0 "[ . 1 . 2]" 1
186 1 25 ILE QG 1 26 CYS H 5.000 3.200 6.000 4.735 4.707 4.764 . 0 0 "[ . 1 . 2]" 1
187 1 25 ILE MG 1 26 CYS H 5.000 3.200 6.000 3.327 3.192 3.417 0.008 17 0 "[ . 1 . 2]" 1
188 1 7 ILE MD 1 26 CYS H 5.000 . 6.000 5.130 4.492 5.982 . 0 0 "[ . 1 . 2]" 1
189 1 26 CYS H 1 27 ALA H 5.000 . 5.000 4.157 3.636 4.497 . 0 0 "[ . 1 . 2]" 1
190 1 4 ARG HA 1 26 CYS H 5.000 . 5.000 4.482 4.123 4.937 . 0 0 "[ . 1 . 2]" 1
191 1 2 ILE QG 1 26 CYS H 5.000 . 6.000 5.608 4.868 6.003 0.003 16 0 "[ . 1 . 2]" 1
192 1 25 ILE HB 1 26 CYS H 5.000 3.200 5.000 3.096 3.045 3.135 0.155 13 0 "[ . 1 . 2]" 1
193 1 7 ILE HA 1 26 CYS H 5.000 . 5.000 3.044 2.646 3.325 . 0 0 "[ . 1 . 2]" 1
194 1 26 CYS H 1 26 CYS QB 3.400 . 4.000 2.289 2.111 2.768 . 0 0 "[ . 1 . 2]" 1
195 1 25 ILE MD 1 26 CYS H 3.400 . 4.400 4.147 4.077 4.209 . 0 0 "[ . 1 . 2]" 1
196 1 25 ILE HA 1 26 CYS H 3.400 . 3.400 2.237 2.173 2.300 . 0 0 "[ . 1 . 2]" 1
197 1 21 CYS QB 1 27 ALA H 5.000 . 6.000 4.675 4.154 5.643 . 0 0 "[ . 1 . 2]" 1
198 1 22 ILE QG 1 27 ALA H 5.000 . 6.000 2.484 2.066 2.777 . 0 0 "[ . 1 . 2]" 1
199 1 22 ILE MG 1 27 ALA H 5.000 . 6.000 5.185 4.880 5.493 . 0 0 "[ . 1 . 2]" 1
200 1 22 ILE HB 1 27 ALA H 5.000 . 5.000 4.656 4.021 5.034 0.034 17 0 "[ . 1 . 2]" 1
201 1 20 GLY QA 1 27 ALA H 5.000 . 6.000 4.557 3.656 5.549 . 0 0 "[ . 1 . 2]" 1
202 1 22 ILE MD 1 27 ALA H 5.000 . 6.000 3.418 2.156 4.010 . 0 0 "[ . 1 . 2]" 1
203 1 25 ILE MD 1 27 ALA H 5.000 . 6.000 3.404 2.424 4.409 . 0 0 "[ . 1 . 2]" 1
204 1 26 CYS QB 1 27 ALA H 5.000 . 6.000 3.927 3.460 4.053 . 0 0 "[ . 1 . 2]" 1
205 1 21 CYS HA 1 27 ALA H 5.000 . 5.000 2.699 2.066 3.788 . 0 0 "[ . 1 . 2]" 1
206 1 26 CYS HA 1 27 ALA H 5.000 . 5.000 2.226 2.123 2.515 . 0 0 "[ . 1 . 2]" 1
207 1 27 ALA H 1 27 ALA MB 3.400 . 4.000 2.964 2.925 3.011 . 0 0 "[ . 1 . 2]" 1
208 1 1 CYS QB 1 15 CYS HA 5.000 . 6.000 5.534 4.334 6.039 0.039 19 0 "[ . 1 . 2]" 1
209 1 1 CYS QB 1 16 CYS QB 3.400 . 6.400 3.117 2.204 4.142 . 0 0 "[ . 1 . 2]" 1
210 1 1 CYS QB 1 2 ILE QG 3.400 . 6.400 4.232 3.992 4.481 . 0 0 "[ . 1 . 2]" 1
211 1 1 CYS QB 1 2 ILE MD 3.400 . 6.400 5.727 4.501 6.279 . 0 0 "[ . 1 . 2]" 1
212 1 1 CYS QB 1 16 CYS HA 5.000 3.200 6.000 4.382 3.201 5.153 . 0 0 "[ . 1 . 2]" 1
213 1 1 CYS QB 1 2 ILE HB 5.000 3.200 8.000 6.134 5.748 6.533 . 0 0 "[ . 1 . 2]" 1
214 1 2 ILE QG 1 15 CYS QB 5.000 . 8.000 2.972 1.880 4.849 . 0 0 "[ . 1 . 2]" 1
215 1 2 ILE HB 1 15 CYS QB 5.000 . 8.000 4.127 2.493 5.792 . 0 0 "[ . 1 . 2]" 1
216 1 2 ILE HB 1 16 CYS QB 5.000 . 8.000 5.209 4.505 5.676 . 0 0 "[ . 1 . 2]" 1
217 1 1 CYS HA 1 2 ILE HB 5.000 . 6.000 5.566 5.157 5.781 . 0 0 "[ . 1 . 2]" 1
218 1 2 ILE QG 1 3 PRO QB 5.000 3.200 8.000 4.773 4.095 5.119 . 0 0 "[ . 1 . 2]" 1
219 1 1 CYS HA 1 2 ILE QG 5.000 . 6.000 3.386 3.106 3.716 . 0 0 "[ . 1 . 2]" 1
220 1 2 ILE QG 1 8 CYS HA 5.000 . 6.000 5.445 4.935 6.006 0.006 4 0 "[ . 1 . 2]" 1
221 1 2 ILE QG 1 26 CYS QB 5.000 . 8.000 3.972 3.316 4.907 . 0 0 "[ . 1 . 2]" 1
222 1 2 ILE QG 1 8 CYS QB 5.000 3.200 8.000 4.642 4.081 5.525 . 0 0 "[ . 1 . 2]" 1
223 1 1 CYS HA 1 2 ILE MD 5.000 3.200 6.000 4.646 3.131 5.491 0.069 9 0 "[ . 1 . 2]" 1
224 1 2 ILE QG 1 16 CYS HA 5.000 . 6.000 5.477 4.470 6.021 0.021 3 0 "[ . 1 . 2]" 1
225 1 2 ILE QG 1 15 CYS HA 5.000 . 6.000 2.973 2.230 4.117 . 0 0 "[ . 1 . 2]" 1
226 1 2 ILE MD 1 15 CYS HA 5.000 . 6.000 3.046 1.915 4.504 . 0 0 "[ . 1 . 2]" 1
227 1 2 ILE HB 1 15 CYS HA 5.000 3.200 6.000 5.073 3.820 6.043 0.043 17 0 "[ . 1 . 2]" 1
228 1 2 ILE MD 1 13 SER QB 5.000 3.200 8.000 6.844 5.499 7.980 . 0 0 "[ . 1 . 2]" 1
229 1 2 ILE MD 1 8 CYS HA 5.000 3.200 6.000 4.135 3.552 5.201 . 0 0 "[ . 1 . 2]" 1
230 1 2 ILE QG 1 6 GLY QA 5.000 3.200 6.000 3.484 3.137 3.955 0.063 7 0 "[ . 1 . 2]" 1
231 1 2 ILE HB 1 2 ILE MD 3.400 2.400 6.400 2.313 2.223 2.360 0.177 17 0 "[ . 1 . 2]" 1
232 1 2 ILE QG 1 3 PRO QD 3.400 . 6.400 2.482 2.017 3.199 . 0 0 "[ . 1 . 2]" 1
233 1 2 ILE QG 1 19 PRO QG 5.000 3.200 8.000 5.337 4.418 6.289 . 0 0 "[ . 1 . 2]" 1
234 1 2 ILE HA 1 3 PRO QG 5.000 3.200 6.000 3.761 3.644 4.043 . 0 0 "[ . 1 . 2]" 1
235 1 3 PRO QD 1 19 PRO QB 5.000 3.200 8.000 7.033 6.632 7.440 . 0 0 "[ . 1 . 2]" 1
236 1 3 PRO HA 1 3 PRO QD 5.000 3.200 6.000 3.493 3.389 3.524 . 0 0 "[ . 1 . 2]" 1
237 1 3 PRO QD 1 3 PRO QG 1.800 . 4.800 1.967 1.947 1.973 . 0 0 "[ . 1 . 2]" 1
238 1 3 PRO HA 1 3 PRO QG 3.400 . 4.400 3.231 2.877 3.538 . 0 0 "[ . 1 . 2]" 1
239 1 3 PRO QB 1 4 ARG QD 5.000 3.200 8.000 4.867 4.164 5.881 . 0 0 "[ . 1 . 2]" 1
240 1 3 PRO QD 1 4 ARG QG 5.000 3.200 8.000 6.827 5.874 7.359 . 0 0 "[ . 1 . 2]" 1
241 1 4 ARG HA 1 4 ARG HE 5.000 3.200 6.000 4.560 4.128 5.025 . 0 0 "[ . 1 . 2]" 1
242 1 4 ARG QB 1 17 ASN QD 5.000 3.200 8.000 4.249 3.392 5.161 . 0 0 "[ . 1 . 2]" 1
243 1 20 GLY QA 1 27 ALA MB 5.000 3.200 8.000 3.258 3.113 4.005 0.087 11 0 "[ . 1 . 2]" 1
244 1 3 PRO QB 1 4 ARG QB 5.000 3.200 8.000 3.719 3.208 4.306 . 0 0 "[ . 1 . 2]" 1
245 1 4 ARG QB 1 26 CYS QB 5.000 3.200 8.000 4.884 4.246 5.644 . 0 0 "[ . 1 . 2]" 1
246 1 4 ARG QB 1 20 GLY QA 5.000 . 8.000 7.637 6.380 8.118 0.118 14 0 "[ . 1 . 2]" 1
247 1 4 ARG HA 1 4 ARG QD 3.400 . 4.400 2.915 2.455 3.961 . 0 0 "[ . 1 . 2]" 1
248 1 4 ARG QG 1 17 ASN QB 5.000 . 8.000 5.872 3.036 7.626 . 0 0 "[ . 1 . 2]" 1
249 1 4 ARG QB 1 4 ARG HE 3.400 . 6.400 2.838 1.985 4.179 . 0 0 "[ . 1 . 2]" 1
250 1 4 ARG HE 1 4 ARG QG 3.400 2.400 6.400 2.564 2.376 3.177 0.024 6 0 "[ . 1 . 2]" 1
251 1 4 ARG HA 1 26 CYS QB 5.000 . 6.000 2.967 2.339 3.748 . 0 0 "[ . 1 . 2]" 1
252 1 3 PRO HA 1 4 ARG HA 5.000 . 5.000 4.419 4.342 4.695 . 0 0 "[ . 1 . 2]" 1
253 1 2 ILE MD 1 4 ARG QD 3.400 . 6.400 6.422 5.826 6.623 0.223 17 0 "[ . 1 . 2]" 1
254 1 4 ARG QG 1 19 PRO QG 5.000 3.200 8.000 5.702 4.303 7.522 . 0 0 "[ . 1 . 2]" 1
255 1 4 ARG HA 1 4 ARG QG 3.400 . 4.400 2.270 2.185 2.347 . 0 0 "[ . 1 . 2]" 1
256 1 5 GLY QA 1 25 ILE MD 5.000 3.200 8.000 4.016 3.657 4.660 . 0 0 "[ . 1 . 2]" 1
257 1 6 GLY QA 1 25 ILE HA 5.000 . 6.000 3.703 3.517 3.921 . 0 0 "[ . 1 . 2]" 1
258 1 6 GLY QA 1 26 CYS HA 5.000 . 6.000 5.505 5.301 5.857 . 0 0 "[ . 1 . 2]" 1
259 1 6 GLY QA 1 12 LEU QB 5.000 . 8.000 6.097 5.374 6.952 . 0 0 "[ . 1 . 2]" 1
260 1 6 GLY QA 1 7 ILE HB 5.000 3.200 8.000 5.099 4.352 5.380 . 0 0 "[ . 1 . 2]" 1
261 1 6 GLY QA 1 25 ILE MD 5.000 . 8.000 6.046 5.681 6.412 . 0 0 "[ . 1 . 2]" 1
262 1 4 ARG HA 1 6 GLY QA 5.000 . 6.000 5.127 4.800 5.337 . 0 0 "[ . 1 . 2]" 1
263 1 6 GLY QA 1 26 CYS QB 5.000 3.200 8.000 3.372 3.151 4.177 0.049 19 0 "[ . 1 . 2]" 1
264 1 7 ILE HA 1 25 ILE HA 5.000 . 5.000 2.326 2.031 2.646 . 0 0 "[ . 1 . 2]" 1
265 1 7 ILE MG 1 22 ILE MD 5.000 . 8.000 6.889 6.399 7.668 . 0 0 "[ . 1 . 2]" 1
266 1 7 ILE MG 1 8 CYS QB 5.000 3.200 8.000 5.130 4.401 5.453 . 0 0 "[ . 1 . 2]" 1
267 1 7 ILE MG 1 24 GLY QA 5.000 . 6.000 2.292 2.151 2.539 . 0 0 "[ . 1 . 2]" 1
268 1 7 ILE MG 1 22 ILE QG 5.000 3.200 8.000 5.961 5.693 6.274 . 0 0 "[ . 1 . 2]" 1
269 1 6 GLY QA 1 7 ILE MG 5.000 3.200 8.000 3.970 3.459 5.156 . 0 0 "[ . 1 . 2]" 1
270 1 7 ILE MG 1 8 CYS HA 5.000 . 6.000 4.989 3.593 5.498 . 0 0 "[ . 1 . 2]" 1
271 1 7 ILE MD 1 26 CYS QB 5.000 . 8.000 4.759 4.023 5.637 . 0 0 "[ . 1 . 2]" 1
272 1 7 ILE MG 1 25 ILE MD 5.000 3.200 8.000 4.792 4.579 4.975 . 0 0 "[ . 1 . 2]" 1
273 1 7 ILE HA 1 7 ILE MG 3.400 . 4.400 2.244 2.192 2.340 . 0 0 "[ . 1 . 2]" 1
274 1 7 ILE MG 1 12 LEU QB 5.000 3.200 8.000 4.989 3.446 5.617 . 0 0 "[ . 1 . 2]" 1
275 1 8 CYS QB 1 12 LEU HA 5.000 . 6.000 5.916 5.630 6.049 0.049 14 0 "[ . 1 . 2]" 1
276 1 8 CYS QB 1 15 CYS HA 5.000 . 6.000 4.777 4.330 5.172 . 0 0 "[ . 1 . 2]" 1
277 1 2 ILE HB 1 8 CYS QB 5.000 . 6.000 5.893 5.273 6.189 0.189 18 0 "[ . 1 . 2]" 1
278 1 8 CYS QB 1 25 ILE MD 5.000 3.200 8.000 5.342 5.074 5.574 . 0 0 "[ . 1 . 2]" 1
279 1 2 ILE MD 1 8 CYS QB 5.000 3.200 8.000 3.398 3.074 4.477 0.126 18 0 "[ . 1 . 2]" 1
280 1 8 CYS HA 1 8 CYS QB 3.400 2.400 4.000 2.317 2.296 2.354 0.104 2 0 "[ . 1 . 2]" 1
281 1 9 LEU QB 1 10 VAL HB 5.000 . 6.000 4.293 3.912 4.750 . 0 0 "[ . 1 . 2]" 1
282 1 7 ILE MG 1 10 VAL HB 5.000 . 6.000 3.623 2.014 4.556 . 0 0 "[ . 1 . 2]" 1
283 1 10 VAL HB 1 11 ALA MB 5.000 . 6.000 4.702 3.608 5.034 . 0 0 "[ . 1 . 2]" 1
284 1 8 CYS QB 1 10 VAL QG 5.000 3.200 8.400 4.822 4.280 5.740 . 0 0 "[ . 1 . 2]" 1
285 1 8 CYS QB 1 12 LEU HG 5.000 . 6.000 5.905 5.634 6.044 0.044 5 0 "[ . 1 . 2]" 1
286 1 8 CYS HA 1 12 LEU HG 5.000 . 5.000 4.714 4.526 5.005 0.005 10 0 "[ . 1 . 2]" 1
287 1 10 VAL QG 1 21 CYS QB 5.000 3.200 8.400 5.246 5.049 5.518 . 0 0 "[ . 1 . 2]" 1
288 1 10 VAL QG 1 23 PHE QB 5.000 3.200 8.400 4.100 3.427 4.426 . 0 0 "[ . 1 . 2]" 1
289 1 10 VAL HA 1 10 VAL HB 3.400 2.400 3.400 2.560 2.400 3.044 0.000 7 0 "[ . 1 . 2]" 1
290 1 10 VAL HA 1 10 VAL QG 3.400 2.400 5.100 2.339 2.209 2.394 0.191 16 0 "[ . 1 . 2]" 1
291 1 6 GLY QA 1 10 VAL QG 5.000 3.200 8.400 6.010 5.623 7.237 . 0 0 "[ . 1 . 2]" 1
292 1 10 VAL QG 1 11 ALA HA 3.400 . 5.800 3.709 3.603 3.971 . 0 0 "[ . 1 . 2]" 1
293 1 11 ALA MB 1 24 GLY QA 5.000 3.200 8.000 5.584 4.437 6.314 . 0 0 "[ . 1 . 2]" 1
294 1 11 ALA MB 1 21 CYS QB 5.000 . 8.000 7.072 6.550 7.413 . 0 0 "[ . 1 . 2]" 1
295 1 11 ALA MB 1 13 SER QB 5.000 3.200 8.000 6.775 5.729 7.181 . 0 0 "[ . 1 . 2]" 1
296 1 8 CYS QB 1 11 ALA MB 5.000 . 8.000 6.008 5.546 6.375 . 0 0 "[ . 1 . 2]" 1
297 1 8 CYS HA 1 11 ALA MB 5.000 . 6.000 4.681 4.302 5.100 . 0 0 "[ . 1 . 2]" 1
298 1 10 VAL HA 1 11 ALA MB 5.000 3.200 6.000 4.638 4.507 4.743 . 0 0 "[ . 1 . 2]" 1
299 1 11 ALA MB 1 12 LEU HA 5.000 . 6.000 3.884 3.755 3.980 . 0 0 "[ . 1 . 2]" 1
300 1 11 ALA MB 1 14 GLY QA 5.000 3.200 8.000 8.016 7.683 8.149 0.149 20 0 "[ . 1 . 2]" 1
301 1 11 ALA MB 1 12 LEU QB 3.400 . 6.400 3.456 3.250 3.602 . 0 0 "[ . 1 . 2]" 1
302 1 2 ILE MD 1 11 ALA MB 5.000 3.200 8.000 5.983 4.629 7.538 . 0 0 "[ . 1 . 2]" 1
303 1 10 VAL QG 1 11 ALA MB 3.400 . 6.800 2.688 2.340 3.532 . 0 0 "[ . 1 . 2]" 1
304 1 8 CYS QB 1 12 LEU QB 5.000 . 8.000 3.368 3.118 3.752 . 0 0 "[ . 1 . 2]" 1
305 1 8 CYS QB 1 12 LEU QD 5.000 3.200 8.400 3.625 3.329 3.866 . 0 0 "[ . 1 . 2]" 1
306 1 12 LEU QB 1 22 ILE QG 5.000 . 8.000 7.790 7.532 8.066 0.066 10 0 "[ . 1 . 2]" 1
307 1 8 CYS HA 1 12 LEU QB 5.000 . 6.000 2.042 1.853 2.403 . 0 0 "[ . 1 . 2]" 1
308 1 12 LEU QB 1 25 ILE MG 5.000 . 8.000 7.783 7.173 8.041 0.041 17 0 "[ . 1 . 2]" 1
309 1 11 ALA HA 1 12 LEU QB 5.000 3.200 6.000 5.152 5.029 5.225 . 0 0 "[ . 1 . 2]" 1
310 1 7 ILE QG 1 12 LEU QB 5.000 3.200 8.000 4.673 3.175 5.867 0.025 6 0 "[ . 1 . 2]" 1
311 1 12 LEU QB 1 12 LEU QD 1.800 . 5.200 1.881 1.859 1.896 . 0 0 "[ . 1 . 2]" 1
312 1 13 SER QB 1 21 CYS QB 5.000 . 8.000 5.770 4.207 6.285 . 0 0 "[ . 1 . 2]" 1
313 1 8 CYS QB 1 13 SER QB 5.000 . 8.000 6.049 5.023 6.512 . 0 0 "[ . 1 . 2]" 1
314 1 13 SER QB 1 19 PRO QG 5.000 . 8.000 7.239 6.428 8.054 0.054 7 0 "[ . 1 . 2]" 1
315 1 15 CYS QB 1 26 CYS QB 3.400 2.400 6.400 3.449 2.330 4.007 0.070 5 0 "[ . 1 . 2]" 1
316 1 15 CYS QB 1 20 GLY QA 5.000 3.200 8.000 6.519 5.768 6.892 . 0 0 "[ . 1 . 2]" 1
317 1 16 CYS QB 1 17 ASN QB 5.000 3.200 8.000 3.869 3.496 4.223 . 0 0 "[ . 1 . 2]" 1
318 1 15 CYS HA 1 16 CYS HA 5.000 . 5.000 4.385 4.312 4.429 . 0 0 "[ . 1 . 2]" 1
319 1 16 CYS QB 1 26 CYS QB 5.000 3.200 8.000 6.282 5.312 6.915 . 0 0 "[ . 1 . 2]" 1
320 1 16 CYS HA 1 16 CYS QB 3.400 2.400 4.000 2.484 2.407 2.540 . 0 0 "[ . 1 . 2]" 1
321 1 4 ARG QG 1 17 ASN QD 5.000 3.200 8.000 4.511 3.183 5.646 0.017 18 0 "[ . 1 . 2]" 1
322 1 16 CYS QB 1 17 ASN QD 5.000 3.200 8.000 3.652 3.163 4.501 0.037 18 0 "[ . 1 . 2]" 1
323 1 8 CYS QB 1 17 ASN QD 5.000 3.200 8.000 7.723 6.657 8.074 0.074 18 0 "[ . 1 . 2]" 1
324 1 4 ARG QB 1 17 ASN QB 5.000 3.200 8.000 5.925 3.902 7.627 . 0 0 "[ . 1 . 2]" 1
325 1 17 ASN H 1 17 ASN QD 3.400 . 4.400 3.847 2.351 4.529 0.129 17 0 "[ . 1 . 2]" 1
326 1 16 CYS HA 1 17 ASN QD 5.000 3.200 6.000 5.412 4.975 6.044 0.044 6 0 "[ . 1 . 2]" 1
327 1 17 ASN HA 1 17 ASN QD 5.000 3.200 6.000 3.958 3.532 4.238 . 0 0 "[ . 1 . 2]" 1
328 1 18 SER QB 1 19 PRO HA 5.000 3.200 6.000 4.645 4.364 4.875 . 0 0 "[ . 1 . 2]" 1
329 1 17 ASN HA 1 18 SER QB 5.000 3.200 6.000 4.805 4.476 5.192 . 0 0 "[ . 1 . 2]" 1
330 1 15 CYS HA 1 19 PRO QG 5.000 . 6.000 4.053 3.724 4.566 . 0 0 "[ . 1 . 2]" 1
331 1 3 PRO QD 1 19 PRO QG 5.000 . 8.000 7.434 6.165 8.026 0.026 3 0 "[ . 1 . 2]" 1
332 1 19 PRO QB 1 22 ILE MD 5.000 . 8.000 6.332 4.420 7.101 . 0 0 "[ . 1 . 2]" 1
333 1 18 SER HA 1 19 PRO QB 5.000 . 6.000 4.823 4.705 5.039 . 0 0 "[ . 1 . 2]" 1
334 1 18 SER QB 1 19 PRO QB 5.000 3.200 8.000 5.440 5.024 5.627 . 0 0 "[ . 1 . 2]" 1
335 1 19 PRO QD 1 27 ALA MB 3.400 . 6.400 4.712 4.219 5.432 . 0 0 "[ . 1 . 2]" 1
336 1 21 CYS QB 1 26 CYS QB 5.000 . 8.000 5.118 4.832 5.558 . 0 0 "[ . 1 . 2]" 1
337 1 15 CYS QB 1 21 CYS QB 5.000 3.200 8.000 5.776 4.184 6.592 . 0 0 "[ . 1 . 2]" 1
338 1 20 GLY QA 1 21 CYS QB 5.000 3.200 8.000 4.149 4.016 4.290 . 0 0 "[ . 1 . 2]" 1
339 1 21 CYS HA 1 21 CYS QB 3.400 2.400 4.000 2.339 2.293 2.410 0.107 11 0 "[ . 1 . 2]" 1
340 1 8 CYS QB 1 21 CYS QB 3.400 2.400 6.400 2.385 2.338 2.513 0.062 15 0 "[ . 1 . 2]" 1
341 1 8 CYS QB 1 22 ILE HA 5.000 . 6.000 5.742 5.234 6.026 0.026 8 0 "[ . 1 . 2]" 1
342 1 21 CYS HA 1 22 ILE MG 5.000 . 6.000 5.291 5.222 5.348 . 0 0 "[ . 1 . 2]" 1
343 1 7 ILE HA 1 22 ILE QG 5.000 . 6.000 6.013 5.716 6.111 0.111 9 0 "[ . 1 . 2]" 1
344 1 22 ILE HB 1 25 ILE MD 5.000 . 6.000 2.054 1.962 2.142 . 0 0 "[ . 1 . 2]" 1
345 1 21 CYS HA 1 22 ILE QG 5.000 . 6.000 3.368 3.226 3.424 . 0 0 "[ . 1 . 2]" 1
346 1 22 ILE QG 1 25 ILE HB 5.000 . 8.000 4.714 4.136 5.320 . 0 0 "[ . 1 . 2]" 1
347 1 22 ILE MD 1 27 ALA HA 5.000 . 6.000 2.578 2.072 3.442 . 0 0 "[ . 1 . 2]" 1
348 1 21 CYS HA 1 22 ILE HB 5.000 3.200 6.000 5.164 4.982 5.316 . 0 0 "[ . 1 . 2]" 1
349 1 21 CYS HA 1 22 ILE MD 5.000 . 6.000 4.785 3.640 4.994 . 0 0 "[ . 1 . 2]" 1
350 1 21 CYS HA 1 22 ILE HA 5.000 . 5.000 4.357 4.328 4.375 . 0 0 "[ . 1 . 2]" 1
351 1 22 ILE HA 1 22 ILE MD 5.000 3.200 6.000 3.968 3.030 4.110 0.170 6 0 "[ . 1 . 2]" 1
352 1 19 PRO QG 1 22 ILE QG 5.000 3.200 8.000 7.319 5.814 7.979 . 0 0 "[ . 1 . 2]" 1
353 1 22 ILE HA 1 22 ILE HB 3.400 2.400 3.400 2.953 2.919 2.993 . 0 0 "[ . 1 . 2]" 1
354 1 19 PRO QD 1 22 ILE QG 5.000 3.200 8.000 7.655 6.334 8.067 0.067 18 0 "[ . 1 . 2]" 1
355 1 22 ILE MG 1 27 ALA MB 3.400 . 6.400 5.891 5.301 6.352 . 0 0 "[ . 1 . 2]" 1
356 1 22 ILE HB 1 22 ILE MD 3.400 . 4.400 2.515 2.359 3.281 . 0 0 "[ . 1 . 2]" 1
357 1 11 ALA MB 1 23 PHE QB 5.000 3.200 8.000 7.949 7.618 8.126 0.126 8 0 "[ . 1 . 2]" 1
358 1 23 PHE QB 1 25 ILE MG 5.000 . 8.000 6.725 5.834 7.262 . 0 0 "[ . 1 . 2]" 1
359 1 23 PHE QD 1 24 GLY QA 5.000 . 8.000 3.805 3.668 3.957 . 0 0 "[ . 1 . 2]" 1
360 1 22 ILE HB 1 23 PHE QD 5.000 . 8.000 6.023 5.576 6.371 . 0 0 "[ . 1 . 2]" 1
361 1 23 PHE QB 1 25 ILE MD 5.000 . 8.000 4.700 3.745 5.252 . 0 0 "[ . 1 . 2]" 1
362 1 8 CYS QB 1 20 GLY QA 5.000 . 8.000 5.683 5.442 5.913 . 0 0 "[ . 1 . 2]" 1
363 1 7 ILE MG 1 23 PHE QD 5.000 . 8.000 5.956 5.671 6.188 . 0 0 "[ . 1 . 2]" 1
364 1 11 ALA MB 1 23 PHE QD 5.000 . 8.000 7.197 6.662 7.694 . 0 0 "[ . 1 . 2]" 1
365 1 22 ILE QG 1 23 PHE QB 5.000 3.200 8.000 3.239 3.171 3.375 0.029 1 0 "[ . 1 . 2]" 1
366 1 22 ILE MD 1 23 PHE QB 5.000 3.200 8.000 5.551 4.979 5.901 . 0 0 "[ . 1 . 2]" 1
367 1 22 ILE MD 1 23 PHE QD 5.000 3.200 8.000 7.060 6.604 7.329 . 0 0 "[ . 1 . 2]" 1
368 1 23 PHE QD 1 25 ILE MG 5.000 3.200 8.000 7.048 6.249 7.533 . 0 0 "[ . 1 . 2]" 1
369 1 23 PHE HA 1 23 PHE QD 3.400 . 4.400 2.936 2.933 2.949 . 0 0 "[ . 1 . 2]" 1
370 1 23 PHE QD 1 25 ILE MD 3.400 . 6.400 5.874 5.120 6.319 . 0 0 "[ . 1 . 2]" 1
371 1 10 VAL QG 1 23 PHE QD 3.400 . 6.800 3.397 2.975 3.622 . 0 0 "[ . 1 . 2]" 1
372 1 22 ILE QG 1 23 PHE QD 3.400 . 6.400 4.855 4.576 5.032 . 0 0 "[ . 1 . 2]" 1
373 1 21 CYS QB 1 24 GLY QA 5.000 3.200 8.000 7.414 7.072 7.654 . 0 0 "[ . 1 . 2]" 1
374 1 24 GLY QA 1 25 ILE MG 5.000 . 6.000 3.755 3.648 3.859 . 0 0 "[ . 1 . 2]" 1
375 1 10 VAL HB 1 25 ILE MD 5.000 . 6.000 6.060 6.005 6.127 0.127 11 0 "[ . 1 . 2]" 1
376 1 7 ILE HA 1 25 ILE MG 5.000 . 6.000 4.060 3.795 4.373 . 0 0 "[ . 1 . 2]" 1
377 1 24 GLY QA 1 25 ILE MD 3.400 . 4.400 4.087 3.711 4.392 . 0 0 "[ . 1 . 2]" 1
378 1 25 ILE HA 1 25 ILE HB 3.400 2.400 3.400 2.686 2.656 2.718 . 0 0 "[ . 1 . 2]" 1
379 1 4 ARG HA 1 25 ILE MD 5.000 3.200 6.000 6.108 6.014 6.166 0.166 11 0 "[ . 1 . 2]" 1
380 1 25 ILE MD 1 26 CYS QB 3.400 3.200 6.400 5.105 5.016 5.248 . 0 0 "[ . 1 . 2]" 1
381 1 7 ILE HA 1 25 ILE MD 3.400 . 4.400 4.489 4.284 4.574 0.174 7 0 "[ . 1 . 2]" 1
382 1 25 ILE HA 1 25 ILE MD 3.400 . 4.400 3.617 3.507 3.692 . 0 0 "[ . 1 . 2]" 1
383 1 25 ILE HB 1 25 ILE MD 3.400 . 4.400 2.350 2.272 2.464 . 0 0 "[ . 1 . 2]" 1
384 1 7 ILE HA 1 26 CYS QB 5.000 . 6.000 3.917 3.387 5.103 . 0 0 "[ . 1 . 2]" 1
385 1 25 ILE HA 1 26 CYS QB 5.000 . 6.000 4.160 4.000 4.820 . 0 0 "[ . 1 . 2]" 1
386 1 3 PRO HA 1 26 CYS QB 5.000 . 6.000 5.294 4.674 5.839 . 0 0 "[ . 1 . 2]" 1
387 1 21 CYS QB 1 27 ALA MB 5.000 . 8.000 5.572 5.258 6.259 . 0 0 "[ . 1 . 2]" 1
388 1 26 CYS HA 1 27 ALA MB 3.400 . 4.400 4.001 3.900 4.120 . 0 0 "[ . 1 . 2]" 1
389 1 21 CYS HA 1 27 ALA MB 5.000 . 6.000 4.531 4.059 5.173 . 0 0 "[ . 1 . 2]" 1
390 1 4 ARG QG 1 19 PRO QB 5.000 3.200 8.000 4.204 3.094 6.227 0.106 3 0 "[ . 1 . 2]" 1
391 1 22 ILE QG 1 27 ALA MB 5.000 3.200 8.000 3.990 3.235 4.430 . 0 0 "[ . 1 . 2]" 1
392 1 22 ILE MD 1 27 ALA MB 5.000 3.200 8.000 3.733 3.172 4.128 0.028 18 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 13
_Distance_constraint_stats_list.Viol_total 6.969
_Distance_constraint_stats_list.Viol_max 0.064
_Distance_constraint_stats_list.Viol_rms 0.0109
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0268
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 0.252 0.064 9 0 "[ . 1 . 2]"
1 5 GLY 0.092 0.050 7 0 "[ . 1 . 2]"
1 16 CYS 0.252 0.064 9 0 "[ . 1 . 2]"
1 22 ILE 0.005 0.005 14 0 "[ . 1 . 2]"
1 25 ILE 0.005 0.005 14 0 "[ . 1 . 2]"
1 26 CYS 0.092 0.050 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 GLY H 1 26 CYS O 2.200 . 2.400 2.120 1.829 2.450 0.050 7 0 "[ . 1 . 2]" 2
2 1 5 GLY N 1 26 CYS O 3.300 2.500 3.500 2.955 2.627 3.337 . 0 0 "[ . 1 . 2]" 2
3 1 22 ILE H 1 25 ILE O 2.200 . 2.400 2.191 2.114 2.405 0.005 14 0 "[ . 1 . 2]" 2
4 1 22 ILE N 1 25 ILE O 3.300 2.500 3.500 3.101 3.065 3.222 . 0 0 "[ . 1 . 2]" 2
5 1 2 ILE O 1 16 CYS H 2.500 . 2.700 2.393 1.921 2.723 0.023 14 0 "[ . 1 . 2]" 2
6 1 2 ILE O 1 16 CYS N 3.300 2.500 3.500 3.323 2.815 3.564 0.064 9 0 "[ . 1 . 2]" 2
stop_
save_
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