NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395604 |
1ryg   |
6067 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ryg
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 266
_Distance_constraint_stats_list.Viol_count 141
_Distance_constraint_stats_list.Viol_total 106.318
_Distance_constraint_stats_list.Viol_max 0.147
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0377
_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 0.033 0.033 1 0 "[ . 1 . 2]"
1 2 CYS 0.488 0.055 6 0 "[ . 1 . 2]"
1 3 LEU 1.219 0.142 15 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 0.102 0.040 15 0 "[ . 1 . 2]"
1 6 GLY 0.102 0.034 4 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 15 0 "[ . 1 . 2]"
1 8 GLY 0.168 0.147 1 0 "[ . 1 . 2]"
1 9 CYS 0.014 0.014 12 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.053 0.047 10 0 "[ . 1 . 2]"
1 12 SER 1.086 0.079 9 0 "[ . 1 . 2]"
1 13 ASN 1.216 0.079 9 0 "[ . 1 . 2]"
1 14 ASP 0.129 0.050 8 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.751 0.142 15 0 "[ . 1 . 2]"
1 17 CYS 0.061 0.034 9 0 "[ . 1 . 2]"
1 18 LYS 0.092 0.060 17 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.031 0.016 20 0 "[ . 1 . 2]"
1 21 ASN 0.016 0.016 20 0 "[ . 1 . 2]"
1 22 LEU 0.220 0.060 17 0 "[ . 1 . 2]"
1 23 VAL 0.211 0.073 11 0 "[ . 1 . 2]"
1 24 CYS 0.208 0.073 11 0 "[ . 1 . 2]"
1 25 SER 0.036 0.036 16 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 1.175 0.078 11 0 "[ . 1 . 2]"
1 28 HIS 1.340 0.078 11 0 "[ . 1 . 2]"
1 29 ALA 0.095 0.029 20 0 "[ . 1 . 2]"
1 30 TRP 0.769 0.147 1 0 "[ . 1 . 2]"
1 31 CYS 0.126 0.040 15 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 0.067 0.034 7 0 "[ . 1 . 2]"
1 35 ILE 0.237 0.062 4 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 H 1 2 CYS QB 3.500 . 4.500 2.650 2.159 3.209 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU HA 1 2 CYS H 2.700 . 2.700 2.315 2.210 2.733 0.033 1 0 "[ . 1 . 2]" 1
3 1 1 GLU QB 1 2 CYS H 3.500 . 4.500 3.418 2.384 4.073 . 0 0 "[ . 1 . 2]" 1
4 1 2 CYS HA 1 3 LEU HG 3.500 . 3.500 3.520 3.447 3.555 0.055 6 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 3 LEU QB 3.500 . 4.500 2.317 2.274 2.379 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU H 1 3 LEU HG 2.700 . 2.700 2.496 2.355 2.700 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS QB 1 3 LEU H 3.500 . 4.500 2.871 2.364 3.589 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS HA 1 3 LEU H 2.700 . 2.700 2.422 2.303 2.553 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU H 1 17 CYS HA 5.000 . 5.000 4.318 3.822 4.625 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU H 1 15 GLN QB 5.000 . 6.000 4.388 3.661 5.231 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU HA 1 3 LEU HG 3.500 . 3.500 2.731 2.541 2.963 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU HA 1 4 GLY H 2.700 . 2.700 2.246 2.203 2.341 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU QB 1 4 GLY H 3.500 . 4.500 3.212 2.797 3.607 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU QD 1 4 GLY H 5.000 . 7.400 3.583 3.255 4.008 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLY H 1 7 LYS QB 5.000 . 6.000 3.258 2.605 3.734 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLY H 1 7 LYS QG 3.500 . 4.500 2.380 1.898 3.452 . 0 0 "[ . 1 . 2]" 1
17 1 4 GLY QA 1 22 LEU QD 5.000 . 8.400 3.284 2.434 4.411 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLY H 1 5 PHE H 5.000 . 5.000 4.447 4.145 4.630 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE H 1 5 PHE QB 2.700 . 3.700 2.164 2.078 2.245 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLY QA 1 5 PHE H 2.700 . 3.700 2.283 2.200 2.324 . 0 0 "[ . 1 . 2]" 1
21 1 5 PHE H 1 22 LEU QD 5.000 . 7.400 3.182 2.273 4.261 . 0 0 "[ . 1 . 2]" 1
22 1 5 PHE HA 1 5 PHE QD 3.500 . 5.900 2.461 2.198 2.828 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE QD 1 22 LEU QD 5.000 . 9.800 1.952 1.769 2.331 0.031 18 0 "[ . 1 . 2]" 1
24 1 5 PHE QD 1 32 LYS HA 5.000 . 7.400 3.408 2.643 5.025 . 0 0 "[ . 1 . 2]" 1
25 1 5 PHE HA 1 5 PHE QE 5.000 . 7.400 4.520 4.319 4.763 . 0 0 "[ . 1 . 2]" 1
26 1 5 PHE QE 1 22 LEU QD 5.000 . 9.800 3.154 2.039 3.838 . 0 0 "[ . 1 . 2]" 1
27 1 5 PHE QE 1 32 LYS HA 3.500 . 5.900 2.324 1.821 3.966 . 0 0 "[ . 1 . 2]" 1
28 1 5 PHE QE 1 32 LYS QB 5.000 . 8.400 4.129 3.206 5.609 . 0 0 "[ . 1 . 2]" 1
29 1 5 PHE H 1 5 PHE QD 5.000 . 7.400 4.123 3.940 4.184 . 0 0 "[ . 1 . 2]" 1
30 1 5 PHE HA 1 31 CYS QB 3.500 . 4.500 2.396 1.760 3.022 0.040 15 0 "[ . 1 . 2]" 1
31 1 5 PHE HA 1 22 LEU QD 3.500 . 5.900 2.245 1.838 2.863 . 0 0 "[ . 1 . 2]" 1
32 1 5 PHE QB 1 22 LEU QD 5.000 . 8.400 2.184 1.893 2.800 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLY H 1 31 CYS QB 3.500 . 4.500 2.060 1.914 2.254 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLY H 1 22 LEU QD 5.000 . 7.400 3.634 3.083 4.201 . 0 0 "[ . 1 . 2]" 1
35 1 6 GLY H 1 30 TRP HE3 5.000 . 5.000 4.884 4.229 5.034 0.034 4 0 "[ . 1 . 2]" 1
36 1 5 PHE QD 1 6 GLY H 5.000 . 7.400 3.052 2.562 3.748 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS H 1 7 LYS QB 2.700 . 3.700 2.266 1.984 2.418 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS H 1 7 LYS QG 3.500 . 4.500 3.482 2.648 4.089 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS H 1 7 LYS QD 5.000 . 6.000 4.296 3.373 4.730 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLY QA 1 7 LYS H 3.500 . 4.500 2.745 2.535 2.962 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLY H 1 7 LYS H 3.500 . 3.500 2.625 2.450 2.826 . 0 0 "[ . 1 . 2]" 1
42 1 7 LYS HA 1 7 LYS QG 3.500 . 4.500 2.395 2.012 2.818 . 0 0 "[ . 1 . 2]" 1
43 1 7 LYS HA 1 7 LYS QD 2.700 . 3.700 2.427 2.006 3.104 . 0 0 "[ . 1 . 2]" 1
44 1 3 LEU QB 1 7 LYS QB 3.500 . 5.500 2.033 1.821 2.494 . 0 0 "[ . 1 . 2]" 1
45 1 7 LYS HA 1 8 GLY H 2.700 . 2.700 2.216 2.206 2.243 . 0 0 "[ . 1 . 2]" 1
46 1 7 LYS QB 1 8 GLY H 3.500 . 4.500 3.578 3.272 3.849 . 0 0 "[ . 1 . 2]" 1
47 1 7 LYS QD 1 8 GLY H 5.000 . 6.000 3.584 2.744 4.858 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLY H 1 9 CYS H 5.000 . 5.000 4.532 4.130 4.676 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLY QA 1 30 TRP QB 3.500 . 5.500 2.283 2.045 3.056 . 0 0 "[ . 1 . 2]" 1
50 1 9 CYS H 1 9 CYS QB 3.500 . 4.500 2.809 2.332 3.218 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLY QA 1 9 CYS H 2.700 . 3.700 2.166 2.138 2.294 . 0 0 "[ . 1 . 2]" 1
52 1 9 CYS H 1 30 TRP HA 3.500 . 3.500 2.065 1.786 2.931 0.014 12 0 "[ . 1 . 2]" 1
53 1 9 CYS H 1 29 ALA MB 5.000 . 6.000 3.869 3.689 4.064 . 0 0 "[ . 1 . 2]" 1
54 1 3 LEU QD 1 9 CYS HA 5.000 . 7.400 3.136 2.220 3.978 . 0 0 "[ . 1 . 2]" 1
55 1 10 ASN H 1 10 ASN QB 3.500 . 4.500 2.313 2.049 2.926 . 0 0 "[ . 1 . 2]" 1
56 1 9 CYS QB 1 10 ASN H 3.500 . 4.500 2.600 1.982 3.545 . 0 0 "[ . 1 . 2]" 1
57 1 10 ASN QD 1 13 ASN QB 3.500 . 5.500 3.449 1.866 4.401 . 0 0 "[ . 1 . 2]" 1
58 1 10 ASN H 1 15 GLN H 5.000 . 5.000 4.163 3.097 4.967 . 0 0 "[ . 1 . 2]" 1
59 1 10 ASN H 1 10 ASN QD 5.000 . 5.000 3.260 2.075 4.513 . 0 0 "[ . 1 . 2]" 1
60 1 10 ASN HA 1 11 PRO QD 2.700 . 3.700 1.983 1.931 2.034 . 0 0 "[ . 1 . 2]" 1
61 1 10 ASN HA 1 11 PRO QB 5.000 . 6.000 4.582 4.562 4.601 . 0 0 "[ . 1 . 2]" 1
62 1 10 ASN HA 1 11 PRO QG 5.000 . 6.000 3.885 3.832 3.943 . 0 0 "[ . 1 . 2]" 1
63 1 10 ASN HA 1 29 ALA MB 5.000 . 6.000 4.358 3.720 4.707 . 0 0 "[ . 1 . 2]" 1
64 1 11 PRO HA 1 11 PRO QG 3.500 . 4.500 3.509 3.504 3.513 . 0 0 "[ . 1 . 2]" 1
65 1 11 PRO HA 1 14 ASP QB 3.500 . 4.500 3.366 2.620 3.924 . 0 0 "[ . 1 . 2]" 1
66 1 11 PRO HA 1 24 CYS QB 2.700 . 3.700 2.225 1.863 2.772 . 0 0 "[ . 1 . 2]" 1
67 1 11 PRO QD 1 29 ALA MB 5.000 . 7.000 3.454 2.849 4.051 . 0 0 "[ . 1 . 2]" 1
68 1 12 SER H 1 12 SER QB 3.500 . 4.500 2.302 2.002 2.526 . 0 0 "[ . 1 . 2]" 1
69 1 11 PRO QB 1 12 SER H 3.500 . 4.500 3.073 2.940 3.287 . 0 0 "[ . 1 . 2]" 1
70 1 10 ASN HA 1 12 SER H 5.000 . 5.000 4.124 3.830 4.286 . 0 0 "[ . 1 . 2]" 1
71 1 10 ASN QB 1 12 SER H 5.000 . 6.000 3.302 2.968 4.385 . 0 0 "[ . 1 . 2]" 1
72 1 12 SER H 1 13 ASN QB 5.000 . 6.000 4.596 4.343 4.939 . 0 0 "[ . 1 . 2]" 1
73 1 12 SER H 1 13 ASN H 3.500 . 3.500 2.635 2.411 2.926 . 0 0 "[ . 1 . 2]" 1
74 1 13 ASN H 1 13 ASN QB 3.500 . 4.500 2.371 2.122 2.599 . 0 0 "[ . 1 . 2]" 1
75 1 10 ASN QB 1 13 ASN H 3.500 . 4.500 2.582 2.036 3.464 . 0 0 "[ . 1 . 2]" 1
76 1 11 PRO HA 1 13 ASN H 5.000 . 5.000 4.553 4.185 4.930 . 0 0 "[ . 1 . 2]" 1
77 1 12 SER HA 1 13 ASN H 3.500 . 3.500 3.554 3.538 3.579 0.079 9 0 "[ . 1 . 2]" 1
78 1 12 SER QB 1 13 ASN H 5.000 . 6.000 2.824 2.138 3.449 . 0 0 "[ . 1 . 2]" 1
79 1 13 ASN H 1 14 ASP HA 5.000 . 5.000 4.532 4.278 4.701 . 0 0 "[ . 1 . 2]" 1
80 1 14 ASP H 1 14 ASP QB 2.700 . 3.700 2.277 2.126 2.537 . 0 0 "[ . 1 . 2]" 1
81 1 13 ASN HA 1 14 ASP H 2.700 . 2.700 2.535 2.392 2.711 0.011 6 0 "[ . 1 . 2]" 1
82 1 13 ASN QB 1 14 ASP H 5.000 . 6.000 3.973 3.891 4.042 . 0 0 "[ . 1 . 2]" 1
83 1 11 PRO HA 1 14 ASP H 5.000 . 5.000 4.560 3.864 4.918 . 0 0 "[ . 1 . 2]" 1
84 1 13 ASN H 1 14 ASP H 3.500 . 3.500 3.438 3.184 3.550 0.050 8 0 "[ . 1 . 2]" 1
85 1 14 ASP HA 1 24 CYS QB 3.500 . 4.500 2.970 2.452 3.465 . 0 0 "[ . 1 . 2]" 1
86 1 15 GLN H 1 15 GLN QB 3.500 . 4.500 2.454 2.146 3.042 . 0 0 "[ . 1 . 2]" 1
87 1 15 GLN H 1 15 GLN QG 3.500 . 4.500 3.619 2.101 4.125 . 0 0 "[ . 1 . 2]" 1
88 1 14 ASP HA 1 15 GLN H 2.700 . 2.700 2.210 2.187 2.237 . 0 0 "[ . 1 . 2]" 1
89 1 3 LEU QD 1 15 GLN H 5.000 . 7.400 3.058 2.124 3.953 . 0 0 "[ . 1 . 2]" 1
90 1 15 GLN HA 1 15 GLN QE 5.000 . 6.000 4.374 2.092 4.863 . 0 0 "[ . 1 . 2]" 1
91 1 15 GLN HA 1 15 GLN QG 3.500 . 4.500 2.248 2.031 3.312 . 0 0 "[ . 1 . 2]" 1
92 1 16 CYS H 1 16 CYS QB 2.700 . 3.700 2.114 1.971 2.400 . 0 0 "[ . 1 . 2]" 1
93 1 15 GLN HA 1 16 CYS H 3.500 . 3.500 2.873 2.698 3.001 . 0 0 "[ . 1 . 2]" 1
94 1 15 GLN QB 1 16 CYS H 3.500 . 4.500 3.866 3.773 4.041 . 0 0 "[ . 1 . 2]" 1
95 1 14 ASP HA 1 16 CYS H 5.000 . 5.000 4.022 3.724 4.430 . 0 0 "[ . 1 . 2]" 1
96 1 16 CYS H 1 24 CYS QB 5.000 . 6.000 4.844 4.071 5.238 . 0 0 "[ . 1 . 2]" 1
97 1 3 LEU QD 1 16 CYS H 5.000 . 7.400 3.789 3.044 4.886 . 0 0 "[ . 1 . 2]" 1
98 1 15 GLN H 1 16 CYS H 3.500 . 3.500 2.767 2.422 3.079 . 0 0 "[ . 1 . 2]" 1
99 1 3 LEU QB 1 16 CYS HA 3.500 . 4.500 1.906 1.658 2.379 0.142 15 0 "[ . 1 . 2]" 1
100 1 16 CYS QB 1 22 LEU QB 2.700 . 4.700 2.453 1.753 3.388 0.047 10 0 "[ . 1 . 2]" 1
101 1 16 CYS QB 1 22 LEU QD 5.000 . 8.400 3.548 2.590 4.402 . 0 0 "[ . 1 . 2]" 1
102 1 17 CYS H 1 17 CYS QB 3.500 . 4.500 2.099 1.941 2.421 . 0 0 "[ . 1 . 2]" 1
103 1 16 CYS HA 1 17 CYS H 2.700 . 2.700 2.456 2.300 2.579 . 0 0 "[ . 1 . 2]" 1
104 1 16 CYS QB 1 17 CYS H 3.500 . 4.500 2.795 2.352 3.353 . 0 0 "[ . 1 . 2]" 1
105 1 2 CYS QB 1 17 CYS H 5.000 . 6.000 3.663 2.736 4.940 . 0 0 "[ . 1 . 2]" 1
106 1 3 LEU HA 1 17 CYS H 5.000 . 5.000 4.847 4.583 5.034 0.034 9 0 "[ . 1 . 2]" 1
107 1 3 LEU QD 1 17 CYS H 5.000 . 7.400 4.701 4.386 5.127 . 0 0 "[ . 1 . 2]" 1
108 1 4 GLY QA 1 17 CYS H 5.000 . 6.000 3.794 3.415 4.337 . 0 0 "[ . 1 . 2]" 1
109 1 17 CYS H 1 22 LEU QB 5.000 . 6.000 3.718 2.917 4.386 . 0 0 "[ . 1 . 2]" 1
110 1 3 LEU H 1 17 CYS H 3.500 . 3.500 3.208 2.561 3.497 . 0 0 "[ . 1 . 2]" 1
111 1 2 CYS QB 1 17 CYS HA 3.500 . 4.500 2.820 1.839 4.129 . 0 0 "[ . 1 . 2]" 1
112 1 17 CYS QB 1 22 LEU QD 5.000 . 8.400 2.996 1.879 3.893 . 0 0 "[ . 1 . 2]" 1
113 1 18 LYS H 1 18 LYS QB 2.700 . 3.700 2.149 1.982 2.416 . 0 0 "[ . 1 . 2]" 1
114 1 18 LYS H 1 18 LYS QG 3.500 . 4.500 3.233 1.982 4.038 . 0 0 "[ . 1 . 2]" 1
115 1 17 CYS HA 1 18 LYS H 2.700 . 2.700 2.214 2.196 2.270 . 0 0 "[ . 1 . 2]" 1
116 1 17 CYS QB 1 18 LYS H 3.500 . 4.500 3.502 3.018 3.829 . 0 0 "[ . 1 . 2]" 1
117 1 19 SER H 1 19 SER QB 3.500 . 4.500 2.223 2.035 2.473 . 0 0 "[ . 1 . 2]" 1
118 1 17 CYS HA 1 19 SER H 5.000 . 5.000 3.659 3.521 3.922 . 0 0 "[ . 1 . 2]" 1
119 1 17 CYS QB 1 19 SER H 5.000 . 6.000 2.940 2.392 3.773 . 0 0 "[ . 1 . 2]" 1
120 1 18 LYS HA 1 19 SER H 5.000 . 5.000 3.393 3.089 3.553 . 0 0 "[ . 1 . 2]" 1
121 1 18 LYS QB 1 19 SER H 3.500 . 4.500 3.234 2.654 3.715 . 0 0 "[ . 1 . 2]" 1
122 1 19 SER H 1 21 ASN H 5.000 . 5.000 3.970 3.755 4.192 . 0 0 "[ . 1 . 2]" 1
123 1 20 SER H 1 20 SER QB 3.500 . 4.500 2.315 2.002 2.810 . 0 0 "[ . 1 . 2]" 1
124 1 17 CYS QB 1 20 SER H 3.500 . 4.500 3.226 2.542 4.059 . 0 0 "[ . 1 . 2]" 1
125 1 19 SER QB 1 20 SER H 5.000 . 6.000 2.679 2.264 3.403 . 0 0 "[ . 1 . 2]" 1
126 1 20 SER H 1 22 LEU HG 5.000 . 5.000 4.160 3.269 5.015 0.015 7 0 "[ . 1 . 2]" 1
127 1 20 SER H 1 22 LEU QD 5.000 . 7.400 3.589 2.287 4.297 . 0 0 "[ . 1 . 2]" 1
128 1 19 SER H 1 20 SER H 3.500 . 3.500 2.734 2.596 2.844 . 0 0 "[ . 1 . 2]" 1
129 1 17 CYS QB 1 20 SER QB 5.000 . 7.000 3.749 2.155 5.073 . 0 0 "[ . 1 . 2]" 1
130 1 20 SER QB 1 22 LEU HG 3.500 . 4.500 2.648 2.248 3.552 . 0 0 "[ . 1 . 2]" 1
131 1 20 SER QB 1 22 LEU QD 5.000 . 8.400 2.227 1.916 3.392 . 0 0 "[ . 1 . 2]" 1
132 1 21 ASN H 1 21 ASN HA 2.700 . 2.700 2.353 2.344 2.362 . 0 0 "[ . 1 . 2]" 1
133 1 21 ASN H 1 21 ASN QB 3.500 . 4.500 2.962 2.795 3.249 . 0 0 "[ . 1 . 2]" 1
134 1 20 SER QB 1 21 ASN H 5.000 . 6.000 3.617 3.184 4.030 . 0 0 "[ . 1 . 2]" 1
135 1 20 SER H 1 21 ASN H 2.700 . 2.700 2.566 2.429 2.716 0.016 20 0 "[ . 1 . 2]" 1
136 1 21 ASN H 1 22 LEU H 3.500 . 3.500 3.152 3.019 3.431 . 0 0 "[ . 1 . 2]" 1
137 1 22 LEU H 1 22 LEU QB 3.500 . 4.500 2.373 2.210 2.533 . 0 0 "[ . 1 . 2]" 1
138 1 22 LEU H 1 22 LEU HG 3.500 . 3.500 2.915 2.507 3.251 . 0 0 "[ . 1 . 2]" 1
139 1 18 LYS HA 1 22 LEU H 3.500 . 3.500 3.094 2.390 3.560 0.060 17 0 "[ . 1 . 2]" 1
140 1 21 ASN HA 1 22 LEU H 3.500 . 3.500 2.549 2.360 2.661 . 0 0 "[ . 1 . 2]" 1
141 1 22 LEU HA 1 22 LEU HG 3.500 . 3.500 2.757 2.283 3.027 . 0 0 "[ . 1 . 2]" 1
142 1 22 LEU HA 1 23 VAL H 2.700 . 2.700 2.281 2.202 2.391 . 0 0 "[ . 1 . 2]" 1
143 1 22 LEU QB 1 23 VAL H 5.000 . 6.000 3.019 2.651 3.547 . 0 0 "[ . 1 . 2]" 1
144 1 22 LEU HG 1 23 VAL H 5.000 . 5.000 4.834 4.325 5.005 0.005 11 0 "[ . 1 . 2]" 1
145 1 22 LEU QD 1 23 VAL H 5.000 . 7.400 3.328 3.089 3.527 . 0 0 "[ . 1 . 2]" 1
146 1 22 LEU H 1 23 VAL H 5.000 . 5.000 4.494 4.260 4.609 . 0 0 "[ . 1 . 2]" 1
147 1 16 CYS QB 1 23 VAL H 5.000 . 6.000 4.453 3.897 5.138 . 0 0 "[ . 1 . 2]" 1
148 1 23 VAL H 1 31 CYS QB 5.000 . 6.000 4.996 4.271 5.415 . 0 0 "[ . 1 . 2]" 1
149 1 16 CYS QB 1 23 VAL HA 3.500 . 4.500 3.377 2.645 4.067 . 0 0 "[ . 1 . 2]" 1
150 1 24 CYS H 1 24 CYS QB 2.700 . 3.700 2.112 1.962 2.337 . 0 0 "[ . 1 . 2]" 1
151 1 11 PRO HA 1 24 CYS H 5.000 . 5.000 4.570 3.927 5.047 0.047 10 0 "[ . 1 . 2]" 1
152 1 16 CYS QB 1 24 CYS H 5.000 . 6.000 4.258 3.836 4.790 . 0 0 "[ . 1 . 2]" 1
153 1 23 VAL HA 1 24 CYS H 2.700 . 2.700 2.375 2.283 2.603 . 0 0 "[ . 1 . 2]" 1
154 1 23 VAL HB 1 24 CYS H 3.500 . 3.500 2.939 2.255 3.573 0.073 11 0 "[ . 1 . 2]" 1
155 1 23 VAL QG 1 24 CYS H 5.000 . 7.400 3.169 2.046 3.479 . 0 0 "[ . 1 . 2]" 1
156 1 25 SER H 1 25 SER QB 2.700 . 3.700 2.211 2.014 2.639 . 0 0 "[ . 1 . 2]" 1
157 1 24 CYS HA 1 25 SER H 2.700 . 2.700 2.231 2.196 2.340 . 0 0 "[ . 1 . 2]" 1
158 1 24 CYS QB 1 25 SER H 5.000 . 6.000 3.533 3.230 3.969 . 0 0 "[ . 1 . 2]" 1
159 1 25 SER H 1 28 HIS QB 5.000 . 6.000 4.387 3.828 5.160 . 0 0 "[ . 1 . 2]" 1
160 1 25 SER H 1 32 LYS QG 5.000 . 6.000 4.528 2.776 5.405 . 0 0 "[ . 1 . 2]" 1
161 1 25 SER H 1 30 TRP H 3.500 . 3.500 2.713 2.136 3.471 . 0 0 "[ . 1 . 2]" 1
162 1 24 CYS H 1 25 SER H 5.000 . 5.000 4.555 4.355 4.639 . 0 0 "[ . 1 . 2]" 1
163 1 25 SER QB 1 28 HIS QB 5.000 . 7.000 2.404 1.764 3.616 0.036 16 0 "[ . 1 . 2]" 1
164 1 25 SER QB 1 32 LYS QB 5.000 . 7.000 2.496 1.804 3.718 . 0 0 "[ . 1 . 2]" 1
165 1 25 SER QB 1 32 LYS QG 5.000 . 7.000 3.219 2.025 4.674 . 0 0 "[ . 1 . 2]" 1
166 1 25 SER QB 1 32 LYS QD 5.000 . 7.000 3.142 1.896 4.621 . 0 0 "[ . 1 . 2]" 1
167 1 26 ARG H 1 26 ARG QB 2.700 . 3.700 2.258 2.029 2.714 . 0 0 "[ . 1 . 2]" 1
168 1 25 SER HA 1 26 ARG H 2.700 . 2.700 2.411 2.267 2.596 . 0 0 "[ . 1 . 2]" 1
169 1 25 SER H 1 26 ARG H 5.000 . 5.000 4.631 4.551 4.694 . 0 0 "[ . 1 . 2]" 1
170 1 25 SER QB 1 26 ARG H 5.000 . 6.000 3.148 2.316 3.612 . 0 0 "[ . 1 . 2]" 1
171 1 11 PRO QB 1 26 ARG H 5.000 . 6.000 4.555 3.697 5.234 . 0 0 "[ . 1 . 2]" 1
172 1 11 PRO QB 1 26 ARG HA 3.500 . 4.500 2.921 2.043 3.565 . 0 0 "[ . 1 . 2]" 1
173 1 11 PRO QG 1 26 ARG HA 5.000 . 6.000 3.302 2.304 4.268 . 0 0 "[ . 1 . 2]" 1
174 1 27 LYS H 1 27 LYS QB 3.500 . 4.500 2.123 1.948 2.315 . 0 0 "[ . 1 . 2]" 1
175 1 26 ARG HA 1 27 LYS H 5.000 . 5.000 3.550 3.444 3.594 . 0 0 "[ . 1 . 2]" 1
176 1 26 ARG QB 1 27 LYS H 3.500 . 4.500 2.876 2.328 3.672 . 0 0 "[ . 1 . 2]" 1
177 1 25 SER HA 1 27 LYS H 5.000 . 5.000 4.330 3.990 4.801 . 0 0 "[ . 1 . 2]" 1
178 1 26 ARG H 1 27 LYS H 3.500 . 3.500 2.304 2.169 2.441 . 0 0 "[ . 1 . 2]" 1
179 1 27 LYS H 1 28 HIS H 3.500 . 3.500 2.557 2.332 2.807 . 0 0 "[ . 1 . 2]" 1
180 1 28 HIS H 1 28 HIS QB 3.500 . 4.500 2.238 2.062 2.358 . 0 0 "[ . 1 . 2]" 1
181 1 27 LYS HA 1 28 HIS H 3.500 . 3.500 3.559 3.540 3.578 0.078 11 0 "[ . 1 . 2]" 1
182 1 27 LYS QB 1 28 HIS H 3.500 . 4.500 2.525 2.310 2.768 . 0 0 "[ . 1 . 2]" 1
183 1 25 SER QB 1 28 HIS H 3.500 . 4.500 2.607 2.163 3.217 . 0 0 "[ . 1 . 2]" 1
184 1 28 HIS QB 1 28 HIS HD2 3.500 . 4.500 2.830 2.677 3.226 . 0 0 "[ . 1 . 2]" 1
185 1 27 LYS QB 1 28 HIS HD2 5.000 . 6.000 3.372 1.960 5.034 . 0 0 "[ . 1 . 2]" 1
186 1 25 SER QB 1 28 HIS HD2 5.000 . 6.000 4.423 2.481 5.317 . 0 0 "[ . 1 . 2]" 1
187 1 28 HIS H 1 29 ALA H 3.500 . 3.500 2.261 2.171 2.339 . 0 0 "[ . 1 . 2]" 1
188 1 29 ALA H 1 29 ALA HA 2.700 . 2.700 2.354 2.351 2.357 . 0 0 "[ . 1 . 2]" 1
189 1 28 HIS HA 1 29 ALA H 3.500 . 3.500 3.467 3.357 3.529 0.029 20 0 "[ . 1 . 2]" 1
190 1 28 HIS QB 1 29 ALA H 3.500 . 4.500 3.023 2.712 3.338 . 0 0 "[ . 1 . 2]" 1
191 1 25 SER QB 1 29 ALA H 3.500 . 4.500 2.813 1.962 3.746 . 0 0 "[ . 1 . 2]" 1
192 1 29 ALA H 1 30 TRP H 3.500 . 3.500 2.833 2.764 2.916 . 0 0 "[ . 1 . 2]" 1
193 1 11 PRO QB 1 29 ALA HA 5.000 . 6.000 4.178 3.211 5.019 . 0 0 "[ . 1 . 2]" 1
194 1 11 PRO QG 1 29 ALA HA 5.000 . 6.000 4.390 3.566 5.076 . 0 0 "[ . 1 . 2]" 1
195 1 25 SER QB 1 30 TRP H 3.500 . 4.500 2.711 2.011 3.738 . 0 0 "[ . 1 . 2]" 1
196 1 28 HIS HA 1 30 TRP H 5.000 . 5.000 4.804 4.061 5.018 0.018 14 0 "[ . 1 . 2]" 1
197 1 28 HIS QB 1 30 TRP H 5.000 . 6.000 3.028 2.452 3.315 . 0 0 "[ . 1 . 2]" 1
198 1 29 ALA HA 1 30 TRP H 3.500 . 3.500 2.901 2.782 3.315 . 0 0 "[ . 1 . 2]" 1
199 1 29 ALA MB 1 30 TRP H 5.000 . 6.000 3.658 3.344 3.714 . 0 0 "[ . 1 . 2]" 1
200 1 30 TRP HA 1 30 TRP HD1 5.000 . 5.000 3.805 3.695 3.912 . 0 0 "[ . 1 . 2]" 1
201 1 28 HIS QB 1 30 TRP HD1 5.000 . 6.000 2.444 2.036 2.894 . 0 0 "[ . 1 . 2]" 1
202 1 6 GLY QA 1 30 TRP HD1 5.000 . 6.000 5.035 5.003 5.076 . 0 0 "[ . 1 . 2]" 1
203 1 8 GLY QA 1 30 TRP HD1 5.000 . 6.000 5.063 5.028 5.149 . 0 0 "[ . 1 . 2]" 1
204 1 25 SER QB 1 30 TRP HD1 5.000 . 6.000 2.339 1.890 3.219 . 0 0 "[ . 1 . 2]" 1
205 1 30 TRP HD1 1 32 LYS QB 3.500 . 4.500 3.236 2.676 3.687 . 0 0 "[ . 1 . 2]" 1
206 1 30 TRP HD1 1 32 LYS QG 5.000 . 6.000 4.214 2.856 5.274 . 0 0 "[ . 1 . 2]" 1
207 1 28 HIS QB 1 30 TRP HE1 5.000 . 6.000 2.700 2.444 3.489 . 0 0 "[ . 1 . 2]" 1
208 1 30 TRP HE1 1 32 LYS QB 5.000 . 6.000 2.615 2.108 3.861 . 0 0 "[ . 1 . 2]" 1
209 1 30 TRP HE1 1 32 LYS QG 5.000 . 6.000 3.057 1.916 4.210 . 0 0 "[ . 1 . 2]" 1
210 1 30 TRP HA 1 30 TRP HE3 5.000 . 5.000 4.995 4.875 5.092 0.092 10 0 "[ . 1 . 2]" 1
211 1 30 TRP QB 1 30 TRP HE3 3.500 . 4.500 2.550 2.488 2.614 . 0 0 "[ . 1 . 2]" 1
212 1 6 GLY QA 1 30 TRP HE3 3.500 . 4.500 2.588 1.892 2.788 . 0 0 "[ . 1 . 2]" 1
213 1 8 GLY QA 1 30 TRP HA 2.700 . 3.700 2.015 1.653 2.345 0.147 1 0 "[ . 1 . 2]" 1
214 1 29 ALA HA 1 30 TRP HA 5.000 . 5.000 4.473 4.431 4.702 . 0 0 "[ . 1 . 2]" 1
215 1 29 ALA MB 1 30 TRP HA 5.000 . 6.000 4.300 4.026 4.349 . 0 0 "[ . 1 . 2]" 1
216 1 31 CYS H 1 31 CYS QB 2.700 . 3.700 2.164 1.976 2.408 . 0 0 "[ . 1 . 2]" 1
217 1 30 TRP HA 1 31 CYS H 2.700 . 2.700 2.561 2.424 2.740 0.040 10 0 "[ . 1 . 2]" 1
218 1 30 TRP QB 1 31 CYS H 3.500 . 4.500 2.510 2.181 2.748 . 0 0 "[ . 1 . 2]" 1
219 1 7 LYS QB 1 31 CYS H 5.000 . 6.000 3.377 3.072 3.876 . 0 0 "[ . 1 . 2]" 1
220 1 7 LYS H 1 31 CYS H 3.500 . 3.500 2.332 2.022 3.500 0.000 15 0 "[ . 1 . 2]" 1
221 1 30 TRP H 1 31 CYS H 5.000 . 5.000 4.452 4.375 4.629 . 0 0 "[ . 1 . 2]" 1
222 1 30 TRP HD1 1 31 CYS H 5.000 . 5.000 4.246 3.766 4.651 . 0 0 "[ . 1 . 2]" 1
223 1 30 TRP HE3 1 31 CYS H 5.000 . 5.000 4.523 4.191 4.752 . 0 0 "[ . 1 . 2]" 1
224 1 22 LEU QB 1 31 CYS QB 3.500 . 5.500 3.132 2.107 3.897 . 0 0 "[ . 1 . 2]" 1
225 1 22 LEU QD 1 31 CYS QB 5.000 . 8.400 2.994 2.166 3.924 . 0 0 "[ . 1 . 2]" 1
226 1 24 CYS HA 1 31 CYS HA 3.500 . 3.500 2.510 2.148 3.232 . 0 0 "[ . 1 . 2]" 1
227 1 32 LYS H 1 32 LYS QB 3.500 . 4.500 2.580 2.212 3.128 . 0 0 "[ . 1 . 2]" 1
228 1 32 LYS H 1 32 LYS QG 3.500 . 4.500 3.561 2.207 4.104 . 0 0 "[ . 1 . 2]" 1
229 1 31 CYS QB 1 32 LYS H 3.500 . 4.500 3.604 3.069 3.983 . 0 0 "[ . 1 . 2]" 1
230 1 31 CYS HA 1 32 LYS H 5.000 . 5.000 2.212 2.188 2.275 . 0 0 "[ . 1 . 2]" 1
231 1 22 LEU QD 1 32 LYS H 5.000 . 7.400 3.767 3.149 4.678 . 0 0 "[ . 1 . 2]" 1
232 1 23 VAL QG 1 32 LYS H 5.000 . 7.400 3.420 2.963 4.491 . 0 0 "[ . 1 . 2]" 1
233 1 25 SER H 1 32 LYS H 5.000 . 5.000 3.837 3.005 4.962 . 0 0 "[ . 1 . 2]" 1
234 1 22 LEU QD 1 32 LYS HA 5.000 . 7.400 3.592 2.570 4.656 . 0 0 "[ . 1 . 2]" 1
235 1 33 TYR H 1 33 TYR QB 2.700 . 3.700 2.113 1.976 2.294 . 0 0 "[ . 1 . 2]" 1
236 1 32 LYS HA 1 33 TYR H 3.500 . 3.500 2.431 2.247 2.631 . 0 0 "[ . 1 . 2]" 1
237 1 32 LYS QB 1 33 TYR H 3.500 . 4.500 3.055 2.220 3.717 . 0 0 "[ . 1 . 2]" 1
238 1 32 LYS QG 1 33 TYR H 5.000 . 6.000 2.665 1.896 3.723 . 0 0 "[ . 1 . 2]" 1
239 1 22 LEU QD 1 33 TYR H 5.000 . 7.400 3.625 2.803 4.394 . 0 0 "[ . 1 . 2]" 1
240 1 33 TYR HA 1 33 TYR QD 3.500 . 5.900 2.758 2.441 3.004 . 0 0 "[ . 1 . 2]" 1
241 1 22 LEU HG 1 33 TYR QD 5.000 . 7.400 4.406 2.305 5.288 . 0 0 "[ . 1 . 2]" 1
242 1 22 LEU QD 1 33 TYR QD 5.000 . 9.800 2.517 2.011 3.486 . 0 0 "[ . 1 . 2]" 1
243 1 33 TYR HA 1 33 TYR QE 5.000 . 7.400 4.358 4.261 4.515 . 0 0 "[ . 1 . 2]" 1
244 1 20 SER QB 1 33 TYR QE 5.000 . 8.400 3.908 2.031 5.148 . 0 0 "[ . 1 . 2]" 1
245 1 21 ASN QB 1 33 TYR QE 5.000 . 8.400 4.029 2.595 5.596 . 0 0 "[ . 1 . 2]" 1
246 1 22 LEU HG 1 33 TYR QE 5.000 . 7.400 4.412 2.937 5.964 . 0 0 "[ . 1 . 2]" 1
247 1 22 LEU QD 1 33 TYR QE 5.000 . 9.800 3.122 2.504 4.720 . 0 0 "[ . 1 . 2]" 1
248 1 33 TYR H 1 33 TYR QD 3.500 . 5.900 3.645 2.484 4.214 . 0 0 "[ . 1 . 2]" 1
249 1 33 TYR H 1 33 TYR QE 5.000 . 7.400 5.749 4.384 6.243 . 0 0 "[ . 1 . 2]" 1
250 1 5 PHE QD 1 33 TYR H 5.000 . 7.400 4.093 3.040 5.348 . 0 0 "[ . 1 . 2]" 1
251 1 5 PHE QE 1 33 TYR H 5.000 . 7.400 2.323 1.902 3.238 . 0 0 "[ . 1 . 2]" 1
252 1 34 GLU H 1 34 GLU QG 3.500 . 4.500 3.145 1.934 4.092 . 0 0 "[ . 1 . 2]" 1
253 1 34 GLU H 1 34 GLU QB 3.500 . 4.500 2.295 1.971 3.099 . 0 0 "[ . 1 . 2]" 1
254 1 33 TYR QB 1 34 GLU H 3.500 . 4.500 3.326 2.633 4.000 . 0 0 "[ . 1 . 2]" 1
255 1 33 TYR HA 1 34 GLU H 2.700 . 2.700 2.336 2.202 2.638 . 0 0 "[ . 1 . 2]" 1
256 1 22 LEU QD 1 34 GLU H 5.000 . 7.400 3.931 2.827 4.765 . 0 0 "[ . 1 . 2]" 1
257 1 33 TYR H 1 34 GLU H 5.000 . 5.000 4.564 4.040 4.695 . 0 0 "[ . 1 . 2]" 1
258 1 33 TYR QD 1 34 GLU H 5.000 . 7.400 3.022 2.205 4.657 . 0 0 "[ . 1 . 2]" 1
259 1 34 GLU H 1 35 ILE H 5.000 . 5.000 4.368 3.442 4.695 . 0 0 "[ . 1 . 2]" 1
260 1 34 GLU HA 1 34 GLU QG 3.500 . 4.500 2.528 2.024 3.433 . 0 0 "[ . 1 . 2]" 1
261 1 23 VAL QG 1 34 GLU HA 5.000 . 7.400 3.563 2.178 4.621 . 0 0 "[ . 1 . 2]" 1
262 1 23 VAL QG 1 34 GLU QG 5.000 . 8.400 3.198 1.766 4.636 0.034 7 0 "[ . 1 . 2]" 1
263 1 35 ILE H 1 35 ILE HB 3.500 . 3.500 2.833 2.318 3.562 0.062 4 0 "[ . 1 . 2]" 1
264 1 34 GLU HA 1 35 ILE H 2.700 . 2.700 2.359 2.195 2.716 0.016 10 0 "[ . 1 . 2]" 1
265 1 34 GLU QB 1 35 ILE H 5.000 . 6.000 3.418 2.112 4.078 . 0 0 "[ . 1 . 2]" 1
266 1 34 GLU QG 1 35 ILE H 5.000 . 6.000 3.604 2.326 4.537 . 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 3.032 3.024 3.042 . 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 2.018 2.022 . 0 0 "[ . 1 . 2]" 2
5 1 9 CYS SG 1 24 CYS CB 2.990 2.490 3.490 3.026 3.018 3.034 . 0 0 "[ . 1 . 2]" 2
6 1 9 CYS CB 1 24 CYS SG 2.990 2.490 3.490 3.033 3.024 3.042 . 0 0 "[ . 1 . 2]" 2
7 1 16 CYS SG 1 31 CYS SG 2.020 . 2.040 2.020 2.017 2.022 . 0 0 "[ . 1 . 2]" 2
8 1 16 CYS SG 1 31 CYS CB 2.990 2.490 3.490 3.026 3.015 3.037 . 0 0 "[ . 1 . 2]" 2
9 1 16 CYS CB 1 31 CYS SG 2.990 2.490 3.490 3.024 3.020 3.035 . 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 8
_Distance_constraint_stats_list.Viol_total 1.988
_Distance_constraint_stats_list.Viol_max 0.023
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0124
_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 0.004 0.004 20 0 "[ . 1 . 2]"
1 7 LYS 0.031 0.016 11 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 0.004 0.004 20 0 "[ . 1 . 2]"
1 23 VAL 0.057 0.023 9 0 "[ . 1 . 2]"
1 25 SER 0.007 0.007 5 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TRP 0.007 0.007 5 0 "[ . 1 . 2]"
1 31 CYS 0.031 0.016 11 0 "[ . 1 . 2]"
1 32 LYS 0.057 0.023 9 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 23 VAL N 1 32 LYS O 2.800 2.400 3.300 3.137 2.868 3.276 . 0 0 "[ . 1 . 2]" 3
2 1 23 VAL H 1 32 LYS O 1.800 . 2.300 2.198 2.031 2.323 0.023 9 0 "[ . 1 . 2]" 3
3 1 23 VAL O 1 32 LYS N 2.800 2.400 3.300 2.765 2.689 2.904 . 0 0 "[ . 1 . 2]" 3
4 1 23 VAL O 1 32 LYS H 1.800 . 2.300 1.850 1.740 2.115 . 0 0 "[ . 1 . 2]" 3
5 1 9 CYS N 1 29 ALA O 2.800 2.400 3.300 2.891 2.754 3.035 . 0 0 "[ . 1 . 2]" 3
6 1 9 CYS H 1 29 ALA O 1.800 . 2.300 2.036 1.865 2.263 . 0 0 "[ . 1 . 2]" 3
7 1 7 LYS O 1 31 CYS N 2.800 2.400 3.300 2.801 2.643 3.003 . 0 0 "[ . 1 . 2]" 3
8 1 7 LYS O 1 31 CYS H 1.800 . 2.300 2.009 1.834 2.316 0.016 11 0 "[ . 1 . 2]" 3
9 1 25 SER N 1 30 TRP O 2.800 2.400 3.300 2.851 2.680 3.206 . 0 0 "[ . 1 . 2]" 3
10 1 25 SER H 1 30 TRP O 1.800 . 2.300 1.947 1.715 2.307 0.007 5 0 "[ . 1 . 2]" 3
11 1 3 LEU O 1 17 CYS N 2.800 2.400 3.300 3.003 2.765 3.228 . 0 0 "[ . 1 . 2]" 3
12 1 3 LEU O 1 17 CYS H 1.800 . 2.300 2.077 1.827 2.304 0.004 20 0 "[ . 1 . 2]" 3
stop_
save_
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