NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395623 |
1ryv   |
6066 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ryv
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 264
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 85.784
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0073
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0442
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 CYS 0.330 0.053 10 0 "[ . 1 . 2]"
1 3 LEU 0.421 0.070 5 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 0.015 0.009 15 0 "[ . 1 . 2]"
1 6 GLY 0.006 0.006 1 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.666 0.155 7 0 "[ . 1 . 2]"
1 9 CYS 0.014 0.014 20 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.238 0.065 16 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 0.174 0.039 8 0 "[ . 1 . 2]"
1 14 ASP 0.182 0.039 8 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.091 0.070 5 0 "[ . 1 . 2]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.070 0.039 6 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.004 0.004 20 0 "[ . 1 . 2]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.096 0.039 6 0 "[ . 1 . 2]"
1 23 VAL 0.043 0.043 14 0 "[ . 1 . 2]"
1 24 CYS 0.227 0.065 16 0 "[ . 1 . 2]"
1 25 SER 0.015 0.015 19 0 "[ . 1 . 2]"
1 26 ARG 0.015 0.015 19 0 "[ . 1 . 2]"
1 27 ALA 1.483 0.085 6 0 "[ . 1 . 2]"
1 28 HIS 1.496 0.085 6 0 "[ . 1 . 2]"
1 29 ARG 0.013 0.013 1 0 "[ . 1 . 2]"
1 30 TRP 1.628 0.155 7 0 "[ . 1 . 2]"
1 31 CYS 0.942 0.086 5 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.080 0.043 14 0 "[ . 1 . 2]"
1 35 ILE 0.180 0.065 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 2 CYS HA 1 3 LEU HG 3.500 . 3.500 3.494 3.327 3.553 0.053 10 0 "[ . 1 . 2]" 1
2 1 2 CYS HA 1 15 GLN QB 5.000 . 6.000 4.342 3.091 5.049 . 0 0 "[ . 1 . 2]" 1
3 1 2 CYS H 1 2 CYS QB 3.500 . 4.500 2.671 2.136 3.272 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLU HA 1 2 CYS H 2.700 . 2.700 2.371 2.206 2.578 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLU QB 1 2 CYS H 3.500 . 4.500 3.227 2.332 3.946 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU H 1 3 LEU QB 3.500 . 4.500 2.343 2.284 2.464 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 3 LEU HG 2.700 . 2.700 2.465 2.276 2.686 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS QB 1 3 LEU H 3.500 . 4.500 2.829 2.164 3.745 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS HA 1 3 LEU H 2.700 . 2.700 2.422 2.201 2.630 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU H 1 15 GLN QB 5.000 . 6.000 4.200 3.403 5.040 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU H 1 17 CYS HA 5.000 . 5.000 4.274 3.488 4.818 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU HA 1 3 LEU HG 3.500 . 3.500 2.835 2.558 3.198 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU HA 1 4 GLY H 2.700 . 2.700 2.247 2.201 2.398 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU QB 1 4 GLY H 3.500 . 4.500 3.375 2.654 3.714 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU QD 1 4 GLY H 5.000 . 7.400 3.668 3.266 3.869 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLY H 1 7 LYS QB 5.000 . 6.000 3.188 2.452 3.737 . 0 0 "[ . 1 . 2]" 1
17 1 4 GLY H 1 7 LYS QG 3.500 . 4.500 3.228 2.008 4.108 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLY QA 1 22 LEU QD 5.000 . 8.400 2.531 1.887 3.257 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE H 1 5 PHE QB 2.700 . 2.700 2.156 2.061 2.196 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLY QA 1 5 PHE H 2.700 . 3.700 2.276 2.195 2.317 . 0 0 "[ . 1 . 2]" 1
21 1 5 PHE H 1 22 LEU QD 5.000 . 7.400 2.643 2.107 3.176 . 0 0 "[ . 1 . 2]" 1
22 1 5 PHE HA 1 5 PHE QD 3.500 . 5.900 2.503 2.101 2.840 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE QD 1 22 LEU QD 5.000 . 9.800 1.981 1.791 2.356 0.009 15 0 "[ . 1 . 2]" 1
24 1 5 PHE QD 1 32 LYS HA 3.500 . 5.900 2.746 2.146 3.674 . 0 0 "[ . 1 . 2]" 1
25 1 5 PHE QE 1 32 LYS HA 3.500 . 5.900 2.205 1.824 2.813 . 0 0 "[ . 1 . 2]" 1
26 1 5 PHE QE 1 32 LYS QB 5.000 . 8.400 3.157 2.708 3.785 . 0 0 "[ . 1 . 2]" 1
27 1 5 PHE QE 1 32 LYS QG 5.000 . 8.400 4.822 4.516 5.189 . 0 0 "[ . 1 . 2]" 1
28 1 5 PHE QE 1 6 GLY QA 5.000 . 8.400 4.436 4.088 5.254 . 0 0 "[ . 1 . 2]" 1
29 1 5 PHE HA 1 5 PHE QE 5.000 . 7.400 4.438 4.225 4.580 . 0 0 "[ . 1 . 2]" 1
30 1 5 PHE QE 1 22 LEU QD 5.000 . 9.800 3.387 2.354 4.088 . 0 0 "[ . 1 . 2]" 1
31 1 5 PHE H 1 5 PHE QD 5.000 . 7.400 4.102 3.851 4.155 . 0 0 "[ . 1 . 2]" 1
32 1 5 PHE HA 1 31 CYS QB 5.000 . 6.000 2.698 2.107 3.288 . 0 0 "[ . 1 . 2]" 1
33 1 5 PHE HA 1 22 LEU QD 5.000 . 7.400 2.429 2.049 2.864 . 0 0 "[ . 1 . 2]" 1
34 1 5 PHE QB 1 22 LEU QD 5.000 . 8.400 2.191 1.803 3.016 . 0 0 "[ . 1 . 2]" 1
35 1 5 PHE HA 1 6 GLY H 2.700 . 2.700 2.232 2.206 2.266 . 0 0 "[ . 1 . 2]" 1
36 1 5 PHE QB 1 6 GLY H 5.000 . 6.000 3.757 3.573 3.946 . 0 0 "[ . 1 . 2]" 1
37 1 6 GLY H 1 31 CYS QB 3.500 . 4.500 3.061 2.046 3.818 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLY H 1 22 LEU QD 5.000 . 7.400 3.951 3.615 4.520 . 0 0 "[ . 1 . 2]" 1
39 1 5 PHE QD 1 6 GLY H 5.000 . 7.400 3.245 2.112 3.719 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLY H 1 30 TRP HE3 5.000 . 5.000 2.836 2.257 3.883 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLY QA 1 22 LEU QD 5.000 . 8.400 5.110 4.781 5.476 . 0 0 "[ . 1 . 2]" 1
42 1 7 LYS H 1 7 LYS QB 2.700 . 3.700 2.308 1.933 2.635 . 0 0 "[ . 1 . 2]" 1
43 1 7 LYS H 1 7 LYS QG 3.500 . 4.500 3.325 2.463 4.013 . 0 0 "[ . 1 . 2]" 1
44 1 7 LYS H 1 7 LYS QD 5.000 . 6.000 4.229 2.366 4.757 . 0 0 "[ . 1 . 2]" 1
45 1 3 LEU QB 1 7 LYS H 5.000 . 6.000 4.624 4.168 5.154 . 0 0 "[ . 1 . 2]" 1
46 1 5 PHE HA 1 7 LYS H 5.000 . 5.000 3.875 3.473 4.259 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLY QA 1 7 LYS H 3.500 . 4.500 2.735 2.619 2.934 . 0 0 "[ . 1 . 2]" 1
48 1 7 LYS H 1 31 CYS QB 3.500 . 4.500 3.083 2.329 4.028 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLY H 1 7 LYS H 3.500 . 3.500 2.645 2.200 3.201 . 0 0 "[ . 1 . 2]" 1
50 1 7 LYS HA 1 7 LYS QG 3.500 . 4.500 2.203 1.921 2.624 . 0 0 "[ . 1 . 2]" 1
51 1 7 LYS HA 1 7 LYS QD 3.500 . 4.500 3.138 1.807 3.929 . 0 0 "[ . 1 . 2]" 1
52 1 7 LYS HA 1 8 GLY H 2.700 . 2.700 2.277 2.206 2.547 . 0 0 "[ . 1 . 2]" 1
53 1 7 LYS QB 1 8 GLY H 3.500 . 4.500 3.207 2.363 3.613 . 0 0 "[ . 1 . 2]" 1
54 1 7 LYS QG 1 8 GLY H 5.000 . 6.000 3.840 2.964 4.474 . 0 0 "[ . 1 . 2]" 1
55 1 7 LYS QD 1 8 GLY H 5.000 . 6.000 4.053 2.445 5.347 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLY QA 1 30 TRP QB 3.500 . 5.500 2.554 2.364 3.102 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLY QA 1 9 CYS H 2.700 . 3.700 2.200 2.151 2.309 . 0 0 "[ . 1 . 2]" 1
58 1 9 CYS H 1 29 ARG QB 5.000 . 6.000 3.665 3.257 4.254 . 0 0 "[ . 1 . 2]" 1
59 1 9 CYS H 1 30 TRP HA 3.500 . 3.500 2.177 1.786 3.038 0.014 20 0 "[ . 1 . 2]" 1
60 1 3 LEU QD 1 9 CYS HA 5.000 . 7.400 2.839 2.158 3.882 . 0 0 "[ . 1 . 2]" 1
61 1 10 ASN H 1 10 ASN QB 3.500 . 4.500 2.211 1.975 2.459 . 0 0 "[ . 1 . 2]" 1
62 1 10 ASN H 1 14 ASP HA 5.000 . 5.000 3.774 2.959 4.746 . 0 0 "[ . 1 . 2]" 1
63 1 9 CYS QB 1 10 ASN H 3.500 . 4.500 2.712 2.108 3.638 . 0 0 "[ . 1 . 2]" 1
64 1 10 ASN H 1 11 PRO QD 5.000 . 6.000 4.384 4.192 4.434 . 0 0 "[ . 1 . 2]" 1
65 1 10 ASN QD 1 13 ASN QB 3.500 . 5.500 3.565 2.003 4.355 . 0 0 "[ . 1 . 2]" 1
66 1 10 ASN HA 1 11 PRO QD 2.700 . 3.700 2.014 1.957 2.064 . 0 0 "[ . 1 . 2]" 1
67 1 10 ASN HA 1 11 PRO QB 5.000 . 6.000 4.589 4.573 4.606 . 0 0 "[ . 1 . 2]" 1
68 1 10 ASN HA 1 29 ARG QB 5.000 . 6.000 4.494 3.622 5.335 . 0 0 "[ . 1 . 2]" 1
69 1 10 ASN HA 1 29 ARG QG 5.000 . 6.000 3.610 2.720 4.873 . 0 0 "[ . 1 . 2]" 1
70 1 11 PRO HA 1 11 PRO QG 3.500 . 4.500 3.510 3.506 3.514 . 0 0 "[ . 1 . 2]" 1
71 1 11 PRO HA 1 14 ASP QB 5.000 . 6.000 3.968 2.802 5.091 . 0 0 "[ . 1 . 2]" 1
72 1 11 PRO HA 1 24 CYS QB 2.700 . 3.700 2.501 2.108 2.781 . 0 0 "[ . 1 . 2]" 1
73 1 11 PRO QD 1 29 ARG QG 3.500 . 5.500 2.634 1.862 3.807 . 0 0 "[ . 1 . 2]" 1
74 1 12 SER H 1 12 SER QB 3.500 . 4.500 2.308 2.086 2.544 . 0 0 "[ . 1 . 2]" 1
75 1 10 ASN HA 1 12 SER H 5.000 . 5.000 4.191 4.001 4.413 . 0 0 "[ . 1 . 2]" 1
76 1 11 PRO HA 1 12 SER H 5.000 . 5.000 3.585 3.571 3.599 . 0 0 "[ . 1 . 2]" 1
77 1 11 PRO QB 1 12 SER H 3.500 . 4.500 3.047 2.909 3.197 . 0 0 "[ . 1 . 2]" 1
78 1 11 PRO QG 1 12 SER H 3.500 . 4.500 2.213 2.071 2.409 . 0 0 "[ . 1 . 2]" 1
79 1 13 ASN H 1 13 ASN QB 3.500 . 4.500 2.348 2.125 2.538 . 0 0 "[ . 1 . 2]" 1
80 1 10 ASN QB 1 13 ASN H 3.500 . 4.500 2.305 1.998 3.653 . 0 0 "[ . 1 . 2]" 1
81 1 11 PRO HA 1 13 ASN H 5.000 . 5.000 4.633 4.173 5.002 0.002 19 0 "[ . 1 . 2]" 1
82 1 12 SER HA 1 13 ASN H 5.000 . 5.000 3.568 3.526 3.598 . 0 0 "[ . 1 . 2]" 1
83 1 12 SER QB 1 13 ASN H 5.000 . 6.000 2.818 2.192 3.511 . 0 0 "[ . 1 . 2]" 1
84 1 13 ASN H 1 14 ASP HA 5.000 . 5.000 4.612 4.359 4.717 . 0 0 "[ . 1 . 2]" 1
85 1 13 ASN H 1 14 ASP QB 5.000 . 6.000 4.906 4.472 5.392 . 0 0 "[ . 1 . 2]" 1
86 1 12 SER H 1 13 ASN H 3.500 . 3.500 2.602 2.410 2.807 . 0 0 "[ . 1 . 2]" 1
87 1 14 ASP H 1 14 ASP QB 2.700 . 3.700 2.228 1.933 2.515 . 0 0 "[ . 1 . 2]" 1
88 1 11 PRO HA 1 14 ASP H 5.000 . 5.000 4.730 4.110 5.010 0.010 5 0 "[ . 1 . 2]" 1
89 1 13 ASN HA 1 14 ASP H 2.700 . 2.700 2.553 2.450 2.659 . 0 0 "[ . 1 . 2]" 1
90 1 13 ASN QB 1 14 ASP H 5.000 . 6.000 3.992 3.932 4.041 . 0 0 "[ . 1 . 2]" 1
91 1 13 ASN H 1 14 ASP H 3.500 . 3.500 3.478 3.294 3.539 0.039 8 0 "[ . 1 . 2]" 1
92 1 14 ASP HA 1 24 CYS QB 5.000 . 6.000 3.118 2.427 3.774 . 0 0 "[ . 1 . 2]" 1
93 1 15 GLN H 1 15 GLN QB 3.500 . 4.500 2.543 2.205 3.135 . 0 0 "[ . 1 . 2]" 1
94 1 14 ASP HA 1 15 GLN H 2.700 . 2.700 2.223 2.201 2.292 . 0 0 "[ . 1 . 2]" 1
95 1 3 LEU QD 1 15 GLN H 5.000 . 7.400 3.274 2.055 3.922 . 0 0 "[ . 1 . 2]" 1
96 1 15 GLN HA 1 15 GLN QG 3.500 . 4.500 2.344 1.946 3.317 . 0 0 "[ . 1 . 2]" 1
97 1 16 CYS H 1 16 CYS QB 2.700 . 3.700 2.136 1.978 2.337 . 0 0 "[ . 1 . 2]" 1
98 1 3 LEU QB 1 16 CYS H 5.000 . 6.000 4.251 3.742 4.796 . 0 0 "[ . 1 . 2]" 1
99 1 3 LEU QD 1 16 CYS H 5.000 . 7.400 4.087 3.137 4.615 . 0 0 "[ . 1 . 2]" 1
100 1 15 GLN HA 1 16 CYS H 3.500 . 3.500 2.900 2.669 3.202 . 0 0 "[ . 1 . 2]" 1
101 1 15 GLN QB 1 16 CYS H 5.000 . 6.000 3.863 3.581 4.077 . 0 0 "[ . 1 . 2]" 1
102 1 15 GLN QG 1 16 CYS H 5.000 . 6.000 4.350 3.611 4.721 . 0 0 "[ . 1 . 2]" 1
103 1 14 ASP HA 1 16 CYS H 5.000 . 5.000 3.975 3.511 4.647 . 0 0 "[ . 1 . 2]" 1
104 1 16 CYS H 1 24 CYS QB 5.000 . 6.000 4.732 3.883 5.268 . 0 0 "[ . 1 . 2]" 1
105 1 15 GLN H 1 16 CYS H 3.500 . 3.500 2.662 2.400 3.059 . 0 0 "[ . 1 . 2]" 1
106 1 3 LEU QB 1 16 CYS HA 3.500 . 4.500 2.044 1.730 2.440 0.070 5 0 "[ . 1 . 2]" 1
107 1 16 CYS QB 1 22 LEU QB 3.500 . 5.500 2.438 1.850 3.168 . 0 0 "[ . 1 . 2]" 1
108 1 16 CYS QB 1 22 LEU QD 5.000 . 7.000 3.575 2.971 4.246 . 0 0 "[ . 1 . 2]" 1
109 1 17 CYS H 1 17 CYS QB 3.500 . 4.500 2.083 1.935 2.306 . 0 0 "[ . 1 . 2]" 1
110 1 16 CYS HA 1 17 CYS H 2.700 . 2.700 2.421 2.298 2.547 . 0 0 "[ . 1 . 2]" 1
111 1 16 CYS QB 1 17 CYS H 3.500 . 4.500 2.862 2.355 3.310 . 0 0 "[ . 1 . 2]" 1
112 1 2 CYS QB 1 17 CYS H 5.000 . 6.000 3.738 2.763 5.280 . 0 0 "[ . 1 . 2]" 1
113 1 3 LEU QB 1 17 CYS H 5.000 . 6.000 3.598 3.116 4.050 . 0 0 "[ . 1 . 2]" 1
114 1 4 GLY QA 1 17 CYS H 5.000 . 6.000 3.311 2.823 3.899 . 0 0 "[ . 1 . 2]" 1
115 1 17 CYS H 1 22 LEU QD 5.000 . 7.400 3.350 2.420 3.911 . 0 0 "[ . 1 . 2]" 1
116 1 17 CYS H 1 22 LEU QB 5.000 . 6.000 3.488 2.669 4.224 . 0 0 "[ . 1 . 2]" 1
117 1 3 LEU H 1 17 CYS H 5.000 . 5.000 3.311 2.400 4.232 . 0 0 "[ . 1 . 2]" 1
118 1 2 CYS QB 1 17 CYS HA 3.500 . 4.500 2.770 1.820 4.043 . 0 0 "[ . 1 . 2]" 1
119 1 17 CYS QB 1 22 LEU QD 5.000 . 8.400 2.852 2.046 3.392 . 0 0 "[ . 1 . 2]" 1
120 1 18 LYS H 1 18 LYS QB 2.700 . 3.700 2.190 1.963 2.563 . 0 0 "[ . 1 . 2]" 1
121 1 18 LYS H 1 18 LYS QG 3.500 . 4.500 3.076 2.066 4.038 . 0 0 "[ . 1 . 2]" 1
122 1 17 CYS HA 1 18 LYS H 2.700 . 2.700 2.221 2.198 2.251 . 0 0 "[ . 1 . 2]" 1
123 1 17 CYS QB 1 18 LYS H 3.500 . 4.500 3.418 3.097 3.770 . 0 0 "[ . 1 . 2]" 1
124 1 2 CYS QB 1 18 LYS H 5.000 . 6.000 4.458 3.562 5.428 . 0 0 "[ . 1 . 2]" 1
125 1 18 LYS HA 1 18 LYS QE 5.000 . 6.000 4.230 3.189 4.935 . 0 0 "[ . 1 . 2]" 1
126 1 19 SER H 1 19 SER QB 3.500 . 4.500 2.208 1.949 2.521 . 0 0 "[ . 1 . 2]" 1
127 1 17 CYS HA 1 19 SER H 5.000 . 5.000 3.721 3.572 3.827 . 0 0 "[ . 1 . 2]" 1
128 1 17 CYS QB 1 19 SER H 5.000 . 6.000 2.817 2.371 3.572 . 0 0 "[ . 1 . 2]" 1
129 1 18 LYS QB 1 19 SER H 5.000 . 6.000 3.370 2.879 3.906 . 0 0 "[ . 1 . 2]" 1
130 1 18 LYS QG 1 19 SER H 5.000 . 6.000 4.116 2.322 4.800 . 0 0 "[ . 1 . 2]" 1
131 1 20 SER H 1 20 SER QB 3.500 . 4.500 2.295 2.117 2.775 . 0 0 "[ . 1 . 2]" 1
132 1 17 CYS QB 1 20 SER H 3.500 . 4.500 3.287 2.767 4.005 . 0 0 "[ . 1 . 2]" 1
133 1 20 SER H 1 22 LEU HG 5.000 . 5.000 4.199 3.026 5.004 0.004 20 0 "[ . 1 . 2]" 1
134 1 19 SER H 1 20 SER H 3.500 . 3.500 2.731 2.591 2.814 . 0 0 "[ . 1 . 2]" 1
135 1 20 SER QB 1 22 LEU HG 3.500 . 4.500 2.601 2.247 3.709 . 0 0 "[ . 1 . 2]" 1
136 1 20 SER QB 1 22 LEU QD 5.000 . 8.400 2.169 1.828 3.381 . 0 0 "[ . 1 . 2]" 1
137 1 17 CYS QB 1 20 SER QB 5.000 . 7.000 3.880 2.866 5.063 . 0 0 "[ . 1 . 2]" 1
138 1 21 ASN H 1 21 ASN HA 2.700 . 2.700 2.355 2.350 2.360 . 0 0 "[ . 1 . 2]" 1
139 1 20 SER QB 1 21 ASN H 5.000 . 6.000 3.589 3.309 4.033 . 0 0 "[ . 1 . 2]" 1
140 1 20 SER H 1 21 ASN H 2.700 . 2.700 2.515 2.316 2.665 . 0 0 "[ . 1 . 2]" 1
141 1 21 ASN H 1 22 LEU H 3.500 . 3.500 3.151 2.965 3.342 . 0 0 "[ . 1 . 2]" 1
142 1 22 LEU H 1 22 LEU QB 2.700 . 3.700 2.296 2.098 2.451 . 0 0 "[ . 1 . 2]" 1
143 1 22 LEU H 1 22 LEU HG 3.500 . 3.500 2.894 2.468 3.136 . 0 0 "[ . 1 . 2]" 1
144 1 18 LYS HA 1 22 LEU H 3.500 . 3.500 3.274 2.844 3.539 0.039 6 0 "[ . 1 . 2]" 1
145 1 21 ASN HA 1 22 LEU H 3.500 . 3.500 2.574 2.416 2.792 . 0 0 "[ . 1 . 2]" 1
146 1 22 LEU HA 1 22 LEU HG 3.500 . 3.500 2.620 2.358 2.878 . 0 0 "[ . 1 . 2]" 1
147 1 22 LEU HA 1 22 LEU QD 3.500 . 5.900 2.204 1.884 2.608 . 0 0 "[ . 1 . 2]" 1
148 1 22 LEU HA 1 23 VAL H 2.700 . 2.700 2.289 2.206 2.421 . 0 0 "[ . 1 . 2]" 1
149 1 22 LEU QB 1 23 VAL H 5.000 . 6.000 2.966 2.553 3.317 . 0 0 "[ . 1 . 2]" 1
150 1 22 LEU HG 1 23 VAL H 5.000 . 5.000 4.701 4.414 4.972 . 0 0 "[ . 1 . 2]" 1
151 1 22 LEU QD 1 23 VAL H 5.000 . 7.400 3.300 2.916 3.499 . 0 0 "[ . 1 . 2]" 1
152 1 16 CYS QB 1 23 VAL H 5.000 . 6.000 4.435 3.795 5.030 . 0 0 "[ . 1 . 2]" 1
153 1 23 VAL H 1 31 CYS QB 5.000 . 6.000 4.706 4.266 5.351 . 0 0 "[ . 1 . 2]" 1
154 1 23 VAL H 1 32 LYS QG 5.000 . 6.000 3.150 2.736 3.661 . 0 0 "[ . 1 . 2]" 1
155 1 23 VAL HA 1 23 VAL HB 2.700 . 2.700 2.517 2.484 2.555 . 0 0 "[ . 1 . 2]" 1
156 1 16 CYS QB 1 23 VAL HA 3.500 . 4.500 3.419 2.829 4.044 . 0 0 "[ . 1 . 2]" 1
157 1 24 CYS H 1 24 CYS QB 3.500 . 4.500 2.178 1.992 2.520 . 0 0 "[ . 1 . 2]" 1
158 1 11 PRO HA 1 24 CYS H 5.000 . 5.000 4.884 4.405 5.065 0.065 16 0 "[ . 1 . 2]" 1
159 1 16 CYS QB 1 24 CYS H 5.000 . 6.000 4.156 3.570 4.744 . 0 0 "[ . 1 . 2]" 1
160 1 23 VAL HA 1 24 CYS H 2.700 . 2.700 2.337 2.248 2.568 . 0 0 "[ . 1 . 2]" 1
161 1 23 VAL HB 1 24 CYS H 3.500 . 3.500 2.899 2.392 3.169 . 0 0 "[ . 1 . 2]" 1
162 1 23 VAL QG 1 24 CYS H 5.000 . 7.400 3.396 3.146 3.501 . 0 0 "[ . 1 . 2]" 1
163 1 24 CYS HA 1 31 CYS HA 3.500 . 3.500 2.565 2.043 3.259 . 0 0 "[ . 1 . 2]" 1
164 1 25 SER H 1 25 SER QB 3.500 . 4.500 2.260 2.048 2.566 . 0 0 "[ . 1 . 2]" 1
165 1 24 CYS HA 1 25 SER H 2.700 . 2.700 2.228 2.195 2.355 . 0 0 "[ . 1 . 2]" 1
166 1 24 CYS QB 1 25 SER H 5.000 . 6.000 3.603 3.064 3.906 . 0 0 "[ . 1 . 2]" 1
167 1 25 SER H 1 31 CYS HA 5.000 . 5.000 3.801 3.068 4.408 . 0 0 "[ . 1 . 2]" 1
168 1 25 SER H 1 30 TRP H 3.500 . 3.500 2.576 2.070 3.238 . 0 0 "[ . 1 . 2]" 1
169 1 25 SER QB 1 32 LYS QB 5.000 . 7.000 3.486 2.586 4.416 . 0 0 "[ . 1 . 2]" 1
170 1 25 SER QB 1 32 LYS QG 3.500 . 5.500 2.452 1.920 4.022 . 0 0 "[ . 1 . 2]" 1
171 1 25 SER QB 1 32 LYS QD 3.500 . 5.500 3.210 1.925 4.272 . 0 0 "[ . 1 . 2]" 1
172 1 25 SER QB 1 28 HIS QB 5.000 . 7.000 3.388 2.131 4.231 . 0 0 "[ . 1 . 2]" 1
173 1 26 ARG H 1 26 ARG QB 2.700 . 3.700 2.317 2.100 2.648 . 0 0 "[ . 1 . 2]" 1
174 1 25 SER HA 1 26 ARG H 2.700 . 2.700 2.435 2.250 2.715 0.015 19 0 "[ . 1 . 2]" 1
175 1 25 SER QB 1 26 ARG H 5.000 . 6.000 3.037 2.256 3.682 . 0 0 "[ . 1 . 2]" 1
176 1 26 ARG HA 1 27 ALA H 5.000 . 5.000 3.503 3.148 3.593 . 0 0 "[ . 1 . 2]" 1
177 1 26 ARG QB 1 27 ALA H 3.500 . 4.500 3.031 2.284 3.713 . 0 0 "[ . 1 . 2]" 1
178 1 26 ARG QG 1 27 ALA H 5.000 . 6.000 3.747 1.991 4.578 . 0 0 "[ . 1 . 2]" 1
179 1 25 SER HA 1 27 ALA H 5.000 . 5.000 4.258 3.884 4.757 . 0 0 "[ . 1 . 2]" 1
180 1 26 ARG H 1 27 ALA H 3.500 . 3.500 2.281 2.070 2.672 . 0 0 "[ . 1 . 2]" 1
181 1 27 ALA H 1 28 HIS H 3.500 . 3.500 2.673 2.221 2.966 . 0 0 "[ . 1 . 2]" 1
182 1 28 HIS H 1 28 HIS QB 3.500 . 4.500 2.247 2.078 2.397 . 0 0 "[ . 1 . 2]" 1
183 1 27 ALA HA 1 28 HIS H 3.500 . 3.500 3.574 3.557 3.585 0.085 6 0 "[ . 1 . 2]" 1
184 1 27 ALA MB 1 28 HIS H 5.000 . 6.000 2.315 2.120 2.524 . 0 0 "[ . 1 . 2]" 1
185 1 28 HIS H 1 29 ARG HA 5.000 . 5.000 4.523 4.307 4.671 . 0 0 "[ . 1 . 2]" 1
186 1 25 SER QB 1 28 HIS H 5.000 . 6.000 3.067 2.627 3.842 . 0 0 "[ . 1 . 2]" 1
187 1 28 HIS HA 1 28 HIS HD2 5.000 . 5.000 3.454 2.035 4.700 . 0 0 "[ . 1 . 2]" 1
188 1 28 HIS QB 1 28 HIS HD2 3.500 . 4.500 2.912 2.680 3.322 . 0 0 "[ . 1 . 2]" 1
189 1 27 ALA MB 1 28 HIS HD2 5.000 . 6.000 3.460 2.356 4.872 . 0 0 "[ . 1 . 2]" 1
190 1 28 HIS H 1 29 ARG H 3.500 . 3.500 2.261 2.111 2.422 . 0 0 "[ . 1 . 2]" 1
191 1 29 ARG H 1 29 ARG HA 2.700 . 2.700 2.356 2.350 2.366 . 0 0 "[ . 1 . 2]" 1
192 1 29 ARG H 1 29 ARG QB 3.500 . 4.500 3.024 2.833 3.273 . 0 0 "[ . 1 . 2]" 1
193 1 29 ARG H 1 29 ARG QG 3.500 . 4.500 3.210 2.468 3.954 . 0 0 "[ . 1 . 2]" 1
194 1 28 HIS HA 1 29 ARG H 3.500 . 3.500 3.371 3.158 3.513 0.013 1 0 "[ . 1 . 2]" 1
195 1 28 HIS QB 1 29 ARG H 5.000 . 6.000 3.270 2.890 3.628 . 0 0 "[ . 1 . 2]" 1
196 1 25 SER QB 1 29 ARG H 5.000 . 6.000 3.334 2.239 4.176 . 0 0 "[ . 1 . 2]" 1
197 1 29 ARG QB 1 29 ARG QH 5.000 . 7.000 3.433 1.973 4.187 . 0 0 "[ . 1 . 2]" 1
198 1 29 ARG H 1 30 TRP H 3.500 . 3.500 3.023 2.828 3.162 . 0 0 "[ . 1 . 2]" 1
199 1 29 ARG HA 1 29 ARG QG 3.500 . 4.500 2.160 1.919 3.001 . 0 0 "[ . 1 . 2]" 1
200 1 25 SER QB 1 30 TRP H 3.500 . 4.500 2.790 1.972 3.882 . 0 0 "[ . 1 . 2]" 1
201 1 29 ARG HA 1 30 TRP H 3.500 . 3.500 2.677 2.515 2.914 . 0 0 "[ . 1 . 2]" 1
202 1 30 TRP HA 1 30 TRP HD1 5.000 . 5.000 4.083 4.042 4.155 . 0 0 "[ . 1 . 2]" 1
203 1 8 GLY QA 1 30 TRP HD1 5.000 . 6.000 5.138 5.038 5.383 . 0 0 "[ . 1 . 2]" 1
204 1 25 SER QB 1 30 TRP HD1 5.000 . 6.000 2.429 1.835 3.798 . 0 0 "[ . 1 . 2]" 1
205 1 28 HIS QB 1 30 TRP HD1 5.000 . 6.000 2.232 1.855 2.720 . 0 0 "[ . 1 . 2]" 1
206 1 30 TRP HD1 1 32 LYS QB 5.000 . 6.000 4.397 3.854 5.039 . 0 0 "[ . 1 . 2]" 1
207 1 30 TRP HD1 1 32 LYS QG 5.000 . 6.000 4.587 4.060 5.048 . 0 0 "[ . 1 . 2]" 1
208 1 28 HIS QB 1 30 TRP HE1 5.000 . 6.000 2.844 2.442 3.956 . 0 0 "[ . 1 . 2]" 1
209 1 30 TRP HE1 1 32 LYS QB 5.000 . 6.000 3.035 2.574 3.710 . 0 0 "[ . 1 . 2]" 1
210 1 30 TRP HE1 1 32 LYS QG 5.000 . 6.000 3.774 3.209 4.250 . 0 0 "[ . 1 . 2]" 1
211 1 30 TRP HA 1 30 TRP HE3 5.000 . 5.000 4.641 4.522 4.712 . 0 0 "[ . 1 . 2]" 1
212 1 30 TRP QB 1 30 TRP HE3 3.500 . 4.500 2.442 2.431 2.453 . 0 0 "[ . 1 . 2]" 1
213 1 6 GLY QA 1 30 TRP HE3 5.000 . 6.000 2.279 1.794 3.620 0.006 1 0 "[ . 1 . 2]" 1
214 1 28 HIS QB 1 30 TRP HE3 5.000 . 6.000 5.322 5.192 5.421 . 0 0 "[ . 1 . 2]" 1
215 1 30 TRP HZ3 1 32 LYS HA 5.000 . 5.000 4.272 3.887 4.944 . 0 0 "[ . 1 . 2]" 1
216 1 30 TRP HZ3 1 32 LYS QB 5.000 . 6.000 4.536 3.754 5.208 . 0 0 "[ . 1 . 2]" 1
217 1 8 GLY QA 1 30 TRP HA 3.500 . 4.500 1.852 1.645 2.276 0.155 7 0 "[ . 1 . 2]" 1
218 1 31 CYS H 1 31 CYS QB 3.500 . 4.500 2.140 2.003 2.319 . 0 0 "[ . 1 . 2]" 1
219 1 30 TRP HA 1 31 CYS H 2.700 . 2.700 2.493 2.349 2.675 . 0 0 "[ . 1 . 2]" 1
220 1 30 TRP QB 1 31 CYS H 3.500 . 4.500 2.557 2.211 2.912 . 0 0 "[ . 1 . 2]" 1
221 1 30 TRP HD1 1 31 CYS H 5.000 . 5.000 5.037 4.794 5.086 0.086 5 0 "[ . 1 . 2]" 1
222 1 22 LEU QB 1 31 CYS QB 3.500 . 5.500 2.704 2.153 3.406 . 0 0 "[ . 1 . 2]" 1
223 1 22 LEU QD 1 31 CYS QB 5.000 . 7.000 2.620 2.320 3.276 . 0 0 "[ . 1 . 2]" 1
224 1 32 LYS H 1 32 LYS QG 3.500 . 4.500 2.147 2.054 2.343 . 0 0 "[ . 1 . 2]" 1
225 1 32 LYS H 1 32 LYS QD 5.000 . 6.000 4.082 3.792 4.282 . 0 0 "[ . 1 . 2]" 1
226 1 31 CYS HA 1 32 LYS H 3.500 . 3.500 2.207 2.185 2.242 . 0 0 "[ . 1 . 2]" 1
227 1 31 CYS QB 1 32 LYS H 5.000 . 6.000 3.538 3.245 3.817 . 0 0 "[ . 1 . 2]" 1
228 1 22 LEU HA 1 32 LYS H 5.000 . 5.000 4.345 3.802 4.895 . 0 0 "[ . 1 . 2]" 1
229 1 22 LEU QD 1 32 LYS H 5.000 . 7.400 3.462 3.015 3.924 . 0 0 "[ . 1 . 2]" 1
230 1 23 VAL QG 1 32 LYS H 5.000 . 7.400 3.059 2.724 3.249 . 0 0 "[ . 1 . 2]" 1
231 1 24 CYS HA 1 32 LYS H 5.000 . 5.000 3.670 3.396 3.941 . 0 0 "[ . 1 . 2]" 1
232 1 23 VAL H 1 32 LYS H 3.500 . 3.500 2.799 2.379 3.322 . 0 0 "[ . 1 . 2]" 1
233 1 25 SER H 1 32 LYS H 5.000 . 5.000 4.142 3.285 4.779 . 0 0 "[ . 1 . 2]" 1
234 1 5 PHE HA 1 32 LYS HA 5.000 . 5.000 4.189 3.349 4.840 . 0 0 "[ . 1 . 2]" 1
235 1 22 LEU QD 1 32 LYS HA 5.000 . 7.400 2.967 2.499 3.293 . 0 0 "[ . 1 . 2]" 1
236 1 33 TYR H 1 33 TYR QB 2.700 . 3.700 2.199 2.005 2.445 . 0 0 "[ . 1 . 2]" 1
237 1 32 LYS HA 1 33 TYR H 5.000 . 5.000 2.461 2.328 2.714 . 0 0 "[ . 1 . 2]" 1
238 1 32 LYS QB 1 33 TYR H 3.500 . 4.500 2.565 2.154 2.872 . 0 0 "[ . 1 . 2]" 1
239 1 32 LYS QG 1 33 TYR H 5.000 . 6.000 3.697 3.364 4.020 . 0 0 "[ . 1 . 2]" 1
240 1 22 LEU QD 1 33 TYR H 5.000 . 7.400 3.235 2.736 3.810 . 0 0 "[ . 1 . 2]" 1
241 1 33 TYR HA 1 33 TYR QD 3.500 . 5.900 2.623 1.965 2.989 . 0 0 "[ . 1 . 2]" 1
242 1 22 LEU HG 1 33 TYR QD 5.000 . 7.400 3.757 2.866 4.658 . 0 0 "[ . 1 . 2]" 1
243 1 22 LEU QD 1 33 TYR QD 5.000 . 9.800 2.737 2.190 3.556 . 0 0 "[ . 1 . 2]" 1
244 1 33 TYR HA 1 33 TYR QE 5.000 . 7.400 4.383 4.237 4.586 . 0 0 "[ . 1 . 2]" 1
245 1 20 SER QB 1 33 TYR QE 5.000 . 8.400 4.049 1.827 5.886 . 0 0 "[ . 1 . 2]" 1
246 1 21 ASN QB 1 33 TYR QE 5.000 . 8.400 2.979 1.983 4.968 . 0 0 "[ . 1 . 2]" 1
247 1 22 LEU HG 1 33 TYR QE 5.000 . 7.400 4.546 3.718 5.934 . 0 0 "[ . 1 . 2]" 1
248 1 22 LEU QD 1 33 TYR QE 5.000 . 9.800 3.914 2.305 5.053 . 0 0 "[ . 1 . 2]" 1
249 1 33 TYR H 1 33 TYR QD 5.000 . 7.400 3.862 2.532 4.303 . 0 0 "[ . 1 . 2]" 1
250 1 5 PHE QD 1 33 TYR H 5.000 . 7.400 3.667 2.532 4.976 . 0 0 "[ . 1 . 2]" 1
251 1 5 PHE QE 1 33 TYR H 5.000 . 7.400 2.459 1.986 3.266 . 0 0 "[ . 1 . 2]" 1
252 1 34 GLU H 1 34 GLU QB 3.500 . 4.500 2.361 2.011 3.022 . 0 0 "[ . 1 . 2]" 1
253 1 22 LEU HA 1 34 GLU H 5.000 . 5.000 4.252 3.109 5.007 0.007 2 0 "[ . 1 . 2]" 1
254 1 22 LEU QD 1 34 GLU H 5.000 . 7.400 4.362 3.531 4.999 . 0 0 "[ . 1 . 2]" 1
255 1 33 TYR QB 1 34 GLU H 5.000 . 6.000 3.450 2.377 4.062 . 0 0 "[ . 1 . 2]" 1
256 1 33 TYR HA 1 34 GLU H 2.700 . 2.700 2.324 2.205 2.639 . 0 0 "[ . 1 . 2]" 1
257 1 33 TYR QD 1 34 GLU H 5.000 . 7.400 3.090 2.104 4.164 . 0 0 "[ . 1 . 2]" 1
258 1 34 GLU HA 1 34 GLU QG 3.500 . 4.500 2.360 2.020 3.326 . 0 0 "[ . 1 . 2]" 1
259 1 23 VAL QG 1 34 GLU HA 5.000 . 7.400 3.848 2.304 5.323 . 0 0 "[ . 1 . 2]" 1
260 1 23 VAL QG 1 34 GLU QG 5.000 . 8.400 3.219 1.757 4.354 0.043 14 0 "[ . 1 . 2]" 1
261 1 35 ILE H 1 35 ILE HB 3.500 . 3.500 2.767 2.284 3.565 0.065 7 0 "[ . 1 . 2]" 1
262 1 34 GLU HA 1 35 ILE H 2.700 . 2.700 2.314 2.207 2.731 0.031 4 0 "[ . 1 . 2]" 1
263 1 34 GLU QB 1 35 ILE H 5.000 . 6.000 3.450 2.304 4.006 . 0 0 "[ . 1 . 2]" 1
264 1 34 GLU QG 1 35 ILE H 5.000 . 6.000 3.281 2.302 4.408 . 0 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 9
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 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 CYS SG 1 17 CYS SG 2.020 . 2.040 2.021 2.019 2.022 . 0 0 "[ . 1 . 2]" 2
2 1 2 CYS SG 1 17 CYS CB 2.990 2.490 3.490 3.030 3.022 3.040 . 0 0 "[ . 1 . 2]" 2
3 1 2 CYS CB 1 17 CYS SG 2.990 2.490 3.490 3.029 3.024 3.035 . 0 0 "[ . 1 . 2]" 2
4 1 9 CYS SG 1 24 CYS SG 2.020 . 2.040 2.020 2.017 2.021 . 0 0 "[ . 1 . 2]" 2
5 1 9 CYS SG 1 24 CYS CB 2.990 2.490 3.490 3.026 3.016 3.042 . 0 0 "[ . 1 . 2]" 2
6 1 9 CYS CB 1 24 CYS SG 2.990 2.490 3.490 3.031 3.022 3.042 . 0 0 "[ . 1 . 2]" 2
7 1 16 CYS SG 1 31 CYS SG 2.020 . 2.040 2.020 2.017 2.023 . 0 0 "[ . 1 . 2]" 2
8 1 16 CYS SG 1 31 CYS CB 2.990 2.490 3.490 3.028 3.020 3.038 . 0 0 "[ . 1 . 2]" 2
9 1 16 CYS CB 1 31 CYS SG 2.990 2.490 3.490 3.027 3.015 3.036 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 2.652
_Distance_constraint_stats_list.Viol_max 0.033
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0189
_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 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.080 0.033 20 0 "[ . 1 . 2]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.053 0.026 18 0 "[ . 1 . 2]"
1 29 ARG 0.080 0.033 20 0 "[ . 1 . 2]"
1 30 TRP 0.053 0.026 18 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 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 7 LYS O 1 31 CYS N 2.800 2.400 3.300 2.862 2.681 3.175 . 0 0 "[ . 1 . 2]" 3
2 1 7 LYS O 1 31 CYS H 1.800 . 2.300 1.972 1.847 2.250 . 0 0 "[ . 1 . 2]" 3
3 1 25 SER N 1 30 TRP O 2.800 2.400 3.300 2.884 2.732 3.248 . 0 0 "[ . 1 . 2]" 3
4 1 25 SER H 1 30 TRP O 1.800 . 2.300 1.982 1.821 2.326 0.026 18 0 "[ . 1 . 2]" 3
5 1 23 VAL N 1 32 LYS O 2.800 2.400 3.300 2.956 2.788 3.186 . 0 0 "[ . 1 . 2]" 3
6 1 23 VAL H 1 32 LYS O 1.800 . 2.300 2.001 1.831 2.219 . 0 0 "[ . 1 . 2]" 3
7 1 23 VAL O 1 32 LYS N 2.800 2.400 3.300 2.907 2.805 3.059 . 0 0 "[ . 1 . 2]" 3
8 1 23 VAL O 1 32 LYS H 1.800 . 2.300 1.962 1.841 2.133 . 0 0 "[ . 1 . 2]" 3
9 1 9 CYS N 1 29 ARG O 2.800 2.400 3.300 2.944 2.840 3.137 . 0 0 "[ . 1 . 2]" 3
10 1 9 CYS H 1 29 ARG O 1.800 . 2.300 2.108 1.886 2.333 0.033 20 0 "[ . 1 . 2]" 3
11 1 3 LEU O 1 17 CYS N 2.800 2.400 3.300 2.872 2.799 2.996 . 0 0 "[ . 1 . 2]" 3
12 1 3 LEU O 1 17 CYS H 1.800 . 2.300 1.968 1.820 2.118 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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