NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370258 |
1bnx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bnx
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 65
_Distance_constraint_stats_list.Viol_count 276
_Distance_constraint_stats_list.Viol_total 348.607
_Distance_constraint_stats_list.Viol_max 0.296
_Distance_constraint_stats_list.Viol_rms 0.0404
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.0601
_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 2 ARG 1.045 0.181 8 0 "[ . 1 . 2 ]"
1 3 TYR 1.045 0.181 8 0 "[ . 1 . 2 ]"
1 4 PRO 3.411 0.296 12 0 "[ . 1 . 2 ]"
1 5 TYR 3.494 0.296 12 0 "[ . 1 . 2 ]"
1 6 TYR 0.877 0.076 10 0 "[ . 1 . 2 ]"
1 7 LEU 0.794 0.076 10 0 "[ . 1 . 2 ]"
1 8 SER 0.304 0.081 1 0 "[ . 1 . 2 ]"
1 9 ASP 0.304 0.081 1 0 "[ . 1 . 2 ]"
1 10 ILE 0.778 0.237 15 0 "[ . 1 . 2 ]"
1 11 THR 0.814 0.237 15 0 "[ . 1 . 2 ]"
1 12 ASP 0.580 0.053 2 0 "[ . 1 . 2 ]"
1 13 VAL 0.543 0.053 2 0 "[ . 1 . 2 ]"
1 14 ILE 0.366 0.056 8 0 "[ . 1 . 2 ]"
1 15 PHE 0.366 0.056 8 0 "[ . 1 . 2 ]"
1 16 ILE 0.370 0.212 14 0 "[ . 1 . 2 ]"
1 17 TYR 0.405 0.212 14 0 "[ . 1 . 2 ]"
1 18 PHE 1.104 0.164 20 0 "[ . 1 . 2 ]"
1 19 ALA 1.285 0.164 20 0 "[ . 1 . 2 ]"
1 20 ALA 1.579 0.090 15 0 "[ . 1 . 2 ]"
1 21 LEU 1.438 0.090 15 0 "[ . 1 . 2 ]"
1 22 SER 0.075 0.074 6 0 "[ . 1 . 2 ]"
1 23 PRO 5.432 0.285 1 0 "[ . 1 . 2 ]"
1 24 ALA 5.694 0.285 1 0 "[ . 1 . 2 ]"
1 25 ILE 0.309 0.040 8 0 "[ . 1 . 2 ]"
1 26 THR 0.249 0.047 9 0 "[ . 1 . 2 ]"
1 27 PHE 0.202 0.047 9 0 "[ . 1 . 2 ]"
1 29 GLY 0.037 0.037 7 0 "[ . 1 . 2 ]"
1 30 LEU 0.037 0.037 7 0 "[ . 1 . 2 ]"
1 31 LEU 0.017 0.017 4 0 "[ . 1 . 2 ]"
1 32 GLY 0.105 0.053 4 0 "[ . 1 . 2 ]"
1 33 GLU 0.116 0.053 4 0 "[ . 1 . 2 ]"
1 34 LYS 0.027 0.027 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 ARG H 1 3 TYR H 3.000 . 3.500 2.486 1.925 3.681 0.181 8 0 "[ . 1 . 2 ]" 1
2 1 5 TYR H 1 6 TYR H 2.500 . 2.900 2.696 2.417 2.906 0.006 13 0 "[ . 1 . 2 ]" 1
3 1 6 TYR H 1 7 LEU H 2.500 . 2.900 2.685 2.341 2.914 0.014 10 0 "[ . 1 . 2 ]" 1
4 1 10 ILE H 1 11 THR H 2.500 . 2.900 2.657 2.468 2.791 . 0 0 "[ . 1 . 2 ]" 1
5 1 11 THR H 1 12 ASP H 2.500 . 2.900 2.698 2.471 2.892 . 0 0 "[ . 1 . 2 ]" 1
6 1 12 ASP H 1 13 VAL H 2.500 . 2.900 2.573 2.387 2.749 . 0 0 "[ . 1 . 2 ]" 1
7 1 13 VAL H 1 14 ILE H 2.500 . 2.900 2.588 2.464 2.747 . 0 0 "[ . 1 . 2 ]" 1
8 1 14 ILE H 1 15 PHE H 2.500 . 2.900 2.497 2.368 2.601 . 0 0 "[ . 1 . 2 ]" 1
9 1 17 TYR H 1 18 PHE H 2.500 . 2.900 2.744 2.412 2.933 0.033 2 0 "[ . 1 . 2 ]" 1
10 1 18 PHE H 1 19 ALA H 2.500 . 2.900 2.473 2.261 2.720 . 0 0 "[ . 1 . 2 ]" 1
11 1 19 ALA H 1 20 ALA H 2.500 . 2.900 2.855 2.680 2.947 0.047 8 0 "[ . 1 . 2 ]" 1
12 1 20 ALA H 1 21 LEU H 2.500 . 2.900 2.869 2.704 2.990 0.090 15 0 "[ . 1 . 2 ]" 1
13 1 21 LEU H 1 22 SER H 2.500 . 2.900 2.633 2.491 2.891 . 0 0 "[ . 1 . 2 ]" 1
14 1 24 ALA H 1 25 ILE H 2.500 . 2.900 2.910 2.868 2.940 0.040 8 0 "[ . 1 . 2 ]" 1
15 1 25 ILE H 1 26 THR H 2.500 . 2.900 2.535 2.302 2.928 0.028 6 0 "[ . 1 . 2 ]" 1
16 1 26 THR H 1 27 PHE H 2.500 . 2.900 2.842 2.692 2.947 0.047 9 0 "[ . 1 . 2 ]" 1
17 1 29 GLY H 1 30 LEU H 2.500 . 2.900 2.568 2.018 2.937 0.037 7 0 "[ . 1 . 2 ]" 1
18 1 31 LEU H 1 32 GLY H 2.500 . 2.900 2.634 2.339 2.917 0.017 4 0 "[ . 1 . 2 ]" 1
19 1 33 GLU H 1 34 LYS H 2.500 . 2.900 2.632 2.389 2.927 0.027 6 0 "[ . 1 . 2 ]" 1
20 1 2 ARG HA 1 3 TYR H 3.000 . 3.500 3.459 2.090 3.579 0.079 20 0 "[ . 1 . 2 ]" 1
21 1 4 PRO HA 1 5 TYR H 3.000 . 3.500 3.550 3.526 3.557 0.057 15 0 "[ . 1 . 2 ]" 1
22 1 5 TYR HA 1 6 TYR H 3.000 . 3.500 3.490 3.435 3.537 0.037 9 0 "[ . 1 . 2 ]" 1
23 1 6 TYR HA 1 7 LEU H 3.000 . 3.500 3.532 3.433 3.576 0.076 10 0 "[ . 1 . 2 ]" 1
24 1 8 SER HA 1 9 ASP H 3.000 . 3.500 3.504 3.447 3.581 0.081 1 0 "[ . 1 . 2 ]" 1
25 1 9 ASP HA 1 10 ILE H 4.000 . 5.000 3.556 3.488 3.591 . 0 0 "[ . 1 . 2 ]" 1
26 1 12 ASP HA 1 13 VAL H 3.000 . 3.500 3.523 3.508 3.553 0.053 2 0 "[ . 1 . 2 ]" 1
27 1 14 ILE HA 1 15 PHE H 3.000 . 3.500 3.505 3.363 3.556 0.056 8 0 "[ . 1 . 2 ]" 1
28 1 16 ILE HA 1 17 TYR H 3.000 . 3.500 3.489 3.407 3.533 0.033 6 0 "[ . 1 . 2 ]" 1
29 1 18 PHE HA 1 19 ALA H 3.000 . 3.500 3.502 3.480 3.528 0.028 19 0 "[ . 1 . 2 ]" 1
30 1 19 ALA HA 1 20 ALA H 4.000 . 5.000 3.557 3.523 3.580 . 0 0 "[ . 1 . 2 ]" 1
31 1 20 ALA HA 1 21 LEU H 3.000 . 3.500 3.544 3.523 3.573 0.073 6 0 "[ . 1 . 2 ]" 1
32 1 21 LEU HA 1 22 SER H 3.000 . 3.500 3.424 3.305 3.574 0.074 6 0 "[ . 1 . 2 ]" 1
33 1 25 ILE HA 1 26 THR H 4.000 . 5.000 3.569 3.530 3.597 . 0 0 "[ . 1 . 2 ]" 1
34 1 32 GLY HA3 1 33 GLU H 3.000 . 3.500 3.073 2.219 3.553 0.053 4 0 "[ . 1 . 2 ]" 1
35 1 32 GLY HA2 1 33 GLU H 3.000 . 3.500 2.397 2.187 3.140 . 0 0 "[ . 1 . 2 ]" 1
36 1 33 GLU HA 1 34 LYS H 4.000 . 5.000 3.568 3.508 3.589 . 0 0 "[ . 1 . 2 ]" 1
37 1 2 ARG QB 1 3 TYR H 3.000 . 3.500 2.552 1.932 3.333 . 0 0 "[ . 1 . 2 ]" 1
38 1 4 PRO HB3 1 5 TYR H 3.000 . 3.500 3.613 3.535 3.796 0.296 12 0 "[ . 1 . 2 ]" 1
39 1 5 TYR QB 1 6 TYR H 3.000 . 3.500 2.950 2.686 3.120 . 0 0 "[ . 1 . 2 ]" 1
40 1 6 TYR QB 1 7 LEU H 3.000 . 3.500 2.586 1.975 3.165 . 0 0 "[ . 1 . 2 ]" 1
41 1 7 LEU QB 1 8 SER H 4.000 . 5.000 2.797 2.409 3.271 . 0 0 "[ . 1 . 2 ]" 1
42 1 8 SER QB 1 9 ASP H 4.000 . 5.000 3.015 2.207 3.725 . 0 0 "[ . 1 . 2 ]" 1
43 1 9 ASP QB 1 10 ILE H 4.000 . 5.000 2.552 1.985 3.086 . 0 0 "[ . 1 . 2 ]" 1
44 1 10 ILE HB 1 11 THR H 3.000 . 3.500 2.901 2.241 3.737 0.237 15 0 "[ . 1 . 2 ]" 1
45 1 11 THR HB 1 12 ASP H 3.000 . 3.500 2.897 2.369 3.537 0.037 9 0 "[ . 1 . 2 ]" 1
46 1 12 ASP HB2 1 13 VAL H 3.000 . 3.500 3.114 2.890 3.525 0.025 12 0 "[ . 1 . 2 ]" 1
47 1 12 ASP HB3 1 13 VAL H 3.000 . 3.500 3.217 2.512 3.498 . 0 0 "[ . 1 . 2 ]" 1
48 1 13 VAL HB 1 14 ILE H 3.000 . 3.500 2.804 2.389 3.029 . 0 0 "[ . 1 . 2 ]" 1
49 1 14 ILE HB 1 15 PHE H 3.000 . 3.500 2.910 2.516 3.510 0.010 6 0 "[ . 1 . 2 ]" 1
50 1 15 PHE QB 1 16 ILE H 3.000 . 3.500 2.431 2.090 2.658 . 0 0 "[ . 1 . 2 ]" 1
51 1 16 ILE HB 1 17 TYR H 3.000 . 3.500 3.073 2.656 3.712 0.212 14 0 "[ . 1 . 2 ]" 1
52 1 17 TYR QB 1 18 PHE H 3.000 . 3.500 2.474 1.985 2.779 . 0 0 "[ . 1 . 2 ]" 1
53 1 18 PHE HB3 1 19 ALA H 3.000 . 3.500 3.189 2.507 3.561 0.061 12 0 "[ . 1 . 2 ]" 1
54 1 18 PHE HB2 1 19 ALA H 3.000 . 3.500 3.335 2.904 3.664 0.164 20 0 "[ . 1 . 2 ]" 1
55 1 19 ALA MB 1 20 ALA H 2.500 . 2.900 2.226 2.037 2.459 . 0 0 "[ . 1 . 2 ]" 1
56 1 20 ALA MB 1 21 LEU H 2.500 . 2.900 2.286 2.196 2.385 . 0 0 "[ . 1 . 2 ]" 1
57 1 21 LEU QB 1 22 SER H 3.000 . 3.500 3.184 2.564 3.383 . 0 0 "[ . 1 . 2 ]" 1
58 1 23 PRO HB3 1 24 ALA H 3.000 . 3.500 3.759 3.713 3.785 0.285 1 0 "[ . 1 . 2 ]" 1
59 1 24 ALA MB 1 25 ILE H 3.000 . 3.500 2.819 2.765 2.887 . 0 0 "[ . 1 . 2 ]" 1
60 1 25 ILE HB 1 26 THR H 2.500 . 2.900 2.650 2.162 2.919 0.019 8 0 "[ . 1 . 2 ]" 1
61 1 26 THR HB 1 27 PHE H 2.500 . 2.900 2.304 1.959 2.902 0.002 15 0 "[ . 1 . 2 ]" 1
62 1 31 LEU QB 1 32 GLY H 3.000 . 3.500 2.461 1.969 2.824 . 0 0 "[ . 1 . 2 ]" 1
63 1 33 GLU QB 1 34 LYS H 3.000 . 3.500 2.507 1.988 3.299 . 0 0 "[ . 1 . 2 ]" 1
64 1 3 TYR HA 1 4 PRO QD 4.000 . 5.000 2.495 2.054 3.541 . 0 0 "[ . 1 . 2 ]" 1
65 1 3 TYR H 1 4 PRO QD 3.000 . 3.500 2.489 1.839 3.031 . 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 30
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 52.392
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0146
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0446
_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 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 TYR 0.019 0.019 1 0 "[ . 1 . 2 ]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 ASP 0.019 0.019 1 0 "[ . 1 . 2 ]"
1 10 ILE 0.549 0.089 15 0 "[ . 1 . 2 ]"
1 11 THR 0.765 0.069 13 0 "[ . 1 . 2 ]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 VAL 0.549 0.089 15 0 "[ . 1 . 2 ]"
1 14 ILE 0.765 0.069 13 0 "[ . 1 . 2 ]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 SER 1.162 0.138 4 0 "[ . 1 . 2 ]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ILE 1.162 0.138 4 0 "[ . 1 . 2 ]"
1 27 PHE 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 3 TYR HA 1 6 TYR H 4.000 . 5.000 3.913 3.469 4.736 . 0 0 "[ . 1 . 2 ]" 2
2 1 6 TYR HA 1 9 ASP H 4.000 . 5.000 3.868 3.376 5.019 0.019 1 0 "[ . 1 . 2 ]" 2
3 1 7 LEU HA 1 10 ILE H 4.000 . 5.000 3.625 3.222 4.532 . 0 0 "[ . 1 . 2 ]" 2
4 1 10 ILE HA 1 13 VAL H 4.000 . 5.000 3.366 3.238 3.596 . 0 0 "[ . 1 . 2 ]" 2
5 1 12 ASP HA 1 15 PHE H 4.000 . 5.000 3.367 3.187 3.509 . 0 0 "[ . 1 . 2 ]" 2
6 1 14 ILE HA 1 17 TYR H 4.000 . 5.000 3.322 3.140 3.479 . 0 0 "[ . 1 . 2 ]" 2
7 1 16 ILE HA 1 19 ALA H 4.000 . 5.000 3.269 2.971 3.657 . 0 0 "[ . 1 . 2 ]" 2
8 1 18 PHE HA 1 21 LEU H 4.000 . 5.000 3.745 3.505 4.270 . 0 0 "[ . 1 . 2 ]" 2
9 1 21 LEU HA 1 24 ALA H 4.000 . 5.000 3.690 3.435 4.029 . 0 0 "[ . 1 . 2 ]" 2
10 1 8 SER HA 1 12 ASP H 4.000 . 5.000 4.290 3.746 4.761 . 0 0 "[ . 1 . 2 ]" 2
11 1 9 ASP HA 1 13 VAL H 4.000 . 5.000 4.583 4.280 4.904 . 0 0 "[ . 1 . 2 ]" 2
12 1 13 VAL HA 1 17 TYR H 4.000 . 5.000 4.345 4.082 4.651 . 0 0 "[ . 1 . 2 ]" 2
13 1 14 ILE HA 1 18 PHE H 4.000 . 5.000 4.193 3.142 4.611 . 0 0 "[ . 1 . 2 ]" 2
14 1 15 PHE HA 1 19 ALA H 4.000 . 5.000 4.543 4.001 4.965 . 0 0 "[ . 1 . 2 ]" 2
15 1 16 ILE HA 1 20 ALA H 4.000 . 5.000 3.871 3.158 4.518 . 0 0 "[ . 1 . 2 ]" 2
16 1 18 PHE HA 1 22 SER H 4.000 . 5.000 4.221 2.844 4.605 . 0 0 "[ . 1 . 2 ]" 2
17 1 3 TYR HA 1 6 TYR QB 4.000 . 5.000 3.183 2.350 4.232 . 0 0 "[ . 1 . 2 ]" 2
18 1 6 TYR HA 1 9 ASP QB 4.000 . 5.000 3.502 2.570 4.474 . 0 0 "[ . 1 . 2 ]" 2
19 1 7 LEU HA 1 10 ILE HB 4.000 . 5.000 3.756 2.760 4.934 . 0 0 "[ . 1 . 2 ]" 2
20 1 10 ILE HA 1 13 VAL HB 2.500 . 2.900 2.901 2.668 2.989 0.089 15 0 "[ . 1 . 2 ]" 2
21 1 11 THR HA 1 14 ILE HB 2.500 . 2.900 2.935 2.871 2.969 0.069 13 0 "[ . 1 . 2 ]" 2
22 1 12 ASP HA 1 15 PHE QB 4.000 . 5.000 2.744 2.056 3.142 . 0 0 "[ . 1 . 2 ]" 2
23 1 14 ILE HA 1 17 TYR QB 2.500 . 2.900 2.313 2.070 2.612 . 0 0 "[ . 1 . 2 ]" 2
24 1 16 ILE HA 1 19 ALA MB 2.500 . 2.900 2.185 1.960 2.371 . 0 0 "[ . 1 . 2 ]" 2
25 1 17 TYR HA 1 20 ALA MB 4.000 . 5.000 3.639 3.114 3.918 . 0 0 "[ . 1 . 2 ]" 2
26 1 18 PHE HA 1 21 LEU QB 4.000 . 5.000 3.158 2.493 3.724 . 0 0 "[ . 1 . 2 ]" 2
27 1 21 LEU HA 1 24 ALA MB 3.000 . 3.500 2.473 2.191 2.786 . 0 0 "[ . 1 . 2 ]" 2
28 1 22 SER HA 1 25 ILE HB 3.000 . 3.500 3.555 3.515 3.638 0.138 4 0 "[ . 1 . 2 ]" 2
29 1 24 ALA HA 1 27 PHE QB 4.000 . 5.000 3.593 2.854 4.440 . 0 0 "[ . 1 . 2 ]" 2
30 1 3 TYR QD 1 4 PRO QD 4.000 . 5.000 3.867 3.269 4.392 . 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 86
_Distance_constraint_stats_list.Viol_count 279
_Distance_constraint_stats_list.Viol_total 244.051
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0417
_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 ARG 0.927 0.081 4 0 "[ . 1 . 2 ]"
1 3 TYR 0.620 0.074 1 0 "[ . 1 . 2 ]"
1 5 TYR 0.647 0.167 17 0 "[ . 1 . 2 ]"
1 6 TYR 0.536 0.091 3 0 "[ . 1 . 2 ]"
1 7 LEU 0.184 0.048 9 0 "[ . 1 . 2 ]"
1 8 SER 0.026 0.015 11 0 "[ . 1 . 2 ]"
1 9 ASP 0.025 0.016 21 0 "[ . 1 . 2 ]"
1 10 ILE 0.050 0.021 1 0 "[ . 1 . 2 ]"
1 11 THR 0.306 0.057 4 0 "[ . 1 . 2 ]"
1 12 ASP 0.134 0.032 9 0 "[ . 1 . 2 ]"
1 13 VAL 2.537 0.125 6 0 "[ . 1 . 2 ]"
1 14 ILE 0.251 0.035 6 0 "[ . 1 . 2 ]"
1 15 PHE 0.608 0.133 21 0 "[ . 1 . 2 ]"
1 16 ILE 0.240 0.046 1 0 "[ . 1 . 2 ]"
1 17 TYR 0.015 0.015 17 0 "[ . 1 . 2 ]"
1 18 PHE 0.406 0.046 1 0 "[ . 1 . 2 ]"
1 19 ALA 0.015 0.015 17 0 "[ . 1 . 2 ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 LEU 0.295 0.036 20 0 "[ . 1 . 2 ]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ILE 0.481 0.050 16 0 "[ . 1 . 2 ]"
1 26 THR 0.086 0.030 4 0 "[ . 1 . 2 ]"
1 27 PHE 0.248 0.052 10 0 "[ . 1 . 2 ]"
1 28 GLY 0.687 0.083 16 0 "[ . 1 . 2 ]"
1 29 GLY 0.812 0.081 6 0 "[ . 1 . 2 ]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 GLU 0.277 0.051 4 0 "[ . 1 . 2 ]"
1 34 LYS 1.205 0.083 16 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 ARG H 1 2 ARG HA 2.500 . 2.900 2.914 2.329 2.981 0.081 4 0 "[ . 1 . 2 ]" 3
2 1 3 TYR H 1 3 TYR HA 2.500 . 2.900 2.813 2.337 2.974 0.074 1 0 "[ . 1 . 2 ]" 3
3 1 5 TYR H 1 5 TYR HA 2.500 . 2.900 2.846 2.780 2.939 0.039 4 0 "[ . 1 . 2 ]" 3
4 1 6 TYR H 1 6 TYR HA 2.500 . 2.900 2.871 2.809 2.946 0.046 13 0 "[ . 1 . 2 ]" 3
5 1 7 LEU H 1 7 LEU HA 2.500 . 2.900 2.882 2.816 2.948 0.048 9 0 "[ . 1 . 2 ]" 3
6 1 8 SER H 1 8 SER HA 2.500 . 2.900 2.858 2.826 2.915 0.015 11 0 "[ . 1 . 2 ]" 3
7 1 9 ASP H 1 9 ASP HA 2.500 . 2.900 2.875 2.842 2.916 0.016 21 0 "[ . 1 . 2 ]" 3
8 1 10 ILE H 1 10 ILE HA 2.500 . 2.900 2.877 2.832 2.921 0.021 1 0 "[ . 1 . 2 ]" 3
9 1 11 THR H 1 11 THR HA 2.500 . 2.900 2.859 2.814 2.928 0.028 21 0 "[ . 1 . 2 ]" 3
10 1 12 ASP H 1 12 ASP HA 2.500 . 2.900 2.880 2.847 2.925 0.025 19 0 "[ . 1 . 2 ]" 3
11 1 13 VAL H 1 13 VAL HA 3.000 . 3.500 2.879 2.852 2.905 . 0 0 "[ . 1 . 2 ]" 3
12 1 14 ILE H 1 14 ILE HA 2.500 . 2.900 2.907 2.874 2.935 0.035 6 0 "[ . 1 . 2 ]" 3
13 1 15 PHE H 1 15 PHE HA 2.500 . 2.900 2.875 2.847 2.929 0.029 6 0 "[ . 1 . 2 ]" 3
14 1 16 ILE H 1 16 ILE HA 2.500 . 2.900 2.906 2.863 2.946 0.046 1 0 "[ . 1 . 2 ]" 3
15 1 17 TYR H 1 17 TYR HA 2.500 . 2.900 2.864 2.814 2.915 0.015 17 0 "[ . 1 . 2 ]" 3
16 1 18 PHE H 1 18 PHE HA 2.500 . 2.900 2.905 2.843 2.946 0.046 1 0 "[ . 1 . 2 ]" 3
17 1 19 ALA H 1 19 ALA HA 2.500 . 2.900 2.841 2.771 2.915 0.015 17 0 "[ . 1 . 2 ]" 3
18 1 20 ALA H 1 20 ALA HA 2.500 . 2.900 2.820 2.788 2.894 . 0 0 "[ . 1 . 2 ]" 3
19 1 21 LEU H 1 21 LEU HA 2.500 . 2.900 2.905 2.852 2.936 0.036 20 0 "[ . 1 . 2 ]" 3
20 1 22 SER H 1 22 SER HA 2.500 . 2.900 2.804 2.721 2.879 . 0 0 "[ . 1 . 2 ]" 3
21 1 24 ALA H 1 24 ALA HA 2.500 . 2.900 2.779 2.764 2.790 . 0 0 "[ . 1 . 2 ]" 3
22 1 25 ILE H 1 25 ILE HA 2.500 . 2.900 2.917 2.855 2.950 0.050 16 0 "[ . 1 . 2 ]" 3
23 1 26 THR H 1 26 THR HA 2.500 . 2.900 2.866 2.820 2.930 0.030 4 0 "[ . 1 . 2 ]" 3
24 1 27 PHE H 1 27 PHE HA 2.500 . 2.900 2.888 2.786 2.952 0.052 10 0 "[ . 1 . 2 ]" 3
25 1 28 GLY H 1 28 GLY HA3 2.500 . 2.900 2.660 2.345 2.983 0.083 16 0 "[ . 1 . 2 ]" 3
26 1 28 GLY H 1 28 GLY HA2 2.500 . 2.900 2.679 2.342 2.969 0.069 18 0 "[ . 1 . 2 ]" 3
27 1 29 GLY H 1 29 GLY HA3 2.500 . 2.900 2.778 2.376 2.981 0.081 6 0 "[ . 1 . 2 ]" 3
28 1 29 GLY H 1 29 GLY HA2 2.500 . 2.900 2.770 2.347 2.973 0.073 15 0 "[ . 1 . 2 ]" 3
29 1 30 LEU H 1 30 LEU HA 3.000 . 3.500 2.909 2.848 2.955 . 0 0 "[ . 1 . 2 ]" 3
30 1 31 LEU H 1 31 LEU HA 3.000 . 3.500 2.903 2.841 2.955 . 0 0 "[ . 1 . 2 ]" 3
31 1 33 GLU H 1 33 GLU HA 2.500 . 2.900 2.899 2.815 2.951 0.051 4 0 "[ . 1 . 2 ]" 3
32 1 34 LYS H 1 34 LYS HA 2.500 . 2.900 2.957 2.923 2.983 0.083 16 0 "[ . 1 . 2 ]" 3
33 1 3 TYR H 1 3 TYR QB 3.000 . 3.500 2.931 2.438 3.331 . 0 0 "[ . 1 . 2 ]" 3
34 1 5 TYR H 1 5 TYR HB3 2.500 . 2.900 2.824 2.425 3.067 0.167 17 0 "[ . 1 . 2 ]" 3
35 1 5 TYR H 1 5 TYR HB2 2.500 . 2.900 2.305 2.032 2.641 . 0 0 "[ . 1 . 2 ]" 3
36 1 6 TYR H 1 6 TYR HB3 2.500 . 2.900 2.819 2.578 2.991 0.091 3 0 "[ . 1 . 2 ]" 3
37 1 6 TYR H 1 6 TYR HB2 2.500 . 2.900 2.325 2.131 2.562 . 0 0 "[ . 1 . 2 ]" 3
38 1 10 ILE H 1 10 ILE HB 2.500 . 2.900 2.547 2.347 2.660 . 0 0 "[ . 1 . 2 ]" 3
39 1 11 THR H 1 11 THR HB 3.000 . 3.500 3.017 2.655 3.557 0.057 4 0 "[ . 1 . 2 ]" 3
40 1 12 ASP H 1 12 ASP HB3 3.000 . 3.500 3.370 2.942 3.532 0.032 9 0 "[ . 1 . 2 ]" 3
41 1 12 ASP H 1 12 ASP HB2 3.000 . 3.500 2.168 2.085 2.226 . 0 0 "[ . 1 . 2 ]" 3
42 1 13 VAL H 1 13 VAL HB 2.500 . 2.900 2.552 2.489 2.664 . 0 0 "[ . 1 . 2 ]" 3
43 1 14 ILE H 1 14 ILE HB 2.500 . 2.900 2.469 2.163 2.544 . 0 0 "[ . 1 . 2 ]" 3
44 1 15 PHE H 1 15 PHE HB3 2.500 . 2.900 2.813 2.545 3.033 0.133 21 0 "[ . 1 . 2 ]" 3
45 1 15 PHE H 1 15 PHE HB2 2.500 . 2.900 2.322 2.091 2.555 . 0 0 "[ . 1 . 2 ]" 3
46 1 16 ILE H 1 16 ILE HB 2.500 . 2.900 2.534 2.136 2.641 . 0 0 "[ . 1 . 2 ]" 3
47 1 17 TYR H 1 17 TYR QB 2.500 . 2.900 2.169 2.059 2.308 . 0 0 "[ . 1 . 2 ]" 3
48 1 18 PHE H 1 18 PHE QB 2.500 . 2.900 2.167 2.068 2.262 . 0 0 "[ . 1 . 2 ]" 3
49 1 19 ALA H 1 19 ALA MB 2.500 . 2.900 2.196 2.091 2.252 . 0 0 "[ . 1 . 2 ]" 3
50 1 20 ALA H 1 20 ALA MB 2.500 . 2.900 2.176 2.123 2.255 . 0 0 "[ . 1 . 2 ]" 3
51 1 21 LEU H 1 21 LEU QB 2.500 . 2.900 2.160 2.049 2.374 . 0 0 "[ . 1 . 2 ]" 3
52 1 22 SER H 1 22 SER QB 3.000 . 3.500 2.194 2.064 2.405 . 0 0 "[ . 1 . 2 ]" 3
53 1 24 ALA H 1 24 ALA MB 2.500 . 2.900 2.202 2.094 2.265 . 0 0 "[ . 1 . 2 ]" 3
54 1 25 ILE H 1 25 ILE HB 2.500 . 2.900 2.388 2.122 2.559 . 0 0 "[ . 1 . 2 ]" 3
55 1 26 THR H 1 26 THR HB 2.500 . 2.900 2.696 2.578 2.886 . 0 0 "[ . 1 . 2 ]" 3
56 1 27 PHE H 1 27 PHE QB 2.500 . 2.900 2.214 2.067 2.363 . 0 0 "[ . 1 . 2 ]" 3
57 1 33 GLU H 1 33 GLU QB 3.000 . 3.500 2.304 2.109 2.686 . 0 0 "[ . 1 . 2 ]" 3
58 1 34 LYS H 1 34 LYS QB 3.000 . 3.500 2.602 2.117 3.110 . 0 0 "[ . 1 . 2 ]" 3
59 1 11 THR HA 1 11 THR HB 3.000 . 3.500 2.909 2.626 3.031 . 0 0 "[ . 1 . 2 ]" 3
60 1 18 PHE HA 1 18 PHE QB 2.500 . 2.900 2.510 2.453 2.557 . 0 0 "[ . 1 . 2 ]" 3
61 1 13 VAL HA 1 13 VAL HB 2.500 . 2.900 3.021 3.014 3.025 0.125 6 0 "[ . 1 . 2 ]" 3
62 1 34 LYS H 1 34 LYS QG 4.000 . 5.000 3.458 1.957 4.286 . 0 0 "[ . 1 . 2 ]" 3
63 1 13 VAL H 1 13 VAL MG1 4.000 . 5.000 3.775 3.765 3.786 . 0 0 "[ . 1 . 2 ]" 3
64 1 13 VAL H 1 13 VAL MG2 4.000 . 5.000 2.081 1.954 2.360 . 0 0 "[ . 1 . 2 ]" 3
65 1 13 VAL MG1 1 13 VAL MG2 2.500 . 3.500 2.032 1.921 2.079 . 0 0 "[ . 1 . 2 ]" 3
66 1 7 LEU H 1 7 LEU QD 4.000 . 6.000 3.335 1.943 3.753 . 0 0 "[ . 1 . 2 ]" 3
67 1 7 LEU HA 1 7 LEU QD 4.000 . 6.000 2.399 1.900 2.990 . 0 0 "[ . 1 . 2 ]" 3
68 1 21 LEU H 1 21 LEU HG 4.000 . 5.000 3.651 2.266 4.474 . 0 0 "[ . 1 . 2 ]" 3
69 1 21 LEU HA 1 21 LEU HG 3.500 . 4.500 2.563 1.981 3.643 . 0 0 "[ . 1 . 2 ]" 3
70 1 10 ILE H 1 10 ILE QG 3.500 . 5.000 2.439 1.949 4.003 . 0 0 "[ . 1 . 2 ]" 3
71 1 10 ILE H 1 10 ILE MG 3.500 . 5.000 3.504 2.249 3.794 . 0 0 "[ . 1 . 2 ]" 3
72 1 10 ILE HA 1 10 ILE QG 3.500 . 4.500 2.607 2.090 3.044 . 0 0 "[ . 1 . 2 ]" 3
73 1 10 ILE HA 1 10 ILE MG 3.500 . 5.000 2.486 2.201 3.227 . 0 0 "[ . 1 . 2 ]" 3
74 1 14 ILE H 1 14 ILE QG 3.500 . 5.000 2.334 2.009 3.599 . 0 0 "[ . 1 . 2 ]" 3
75 1 14 ILE H 1 14 ILE MG 3.500 . 5.000 3.769 3.587 3.797 . 0 0 "[ . 1 . 2 ]" 3
76 1 14 ILE HA 1 14 ILE QG 3.500 . 5.000 2.516 2.059 2.966 . 0 0 "[ . 1 . 2 ]" 3
77 1 14 ILE HA 1 14 ILE MG 3.500 . 5.000 2.378 2.247 2.759 . 0 0 "[ . 1 . 2 ]" 3
78 1 16 ILE H 1 16 ILE QG 3.500 . 5.000 2.341 1.978 4.057 . 0 0 "[ . 1 . 2 ]" 3
79 1 16 ILE H 1 16 ILE MG 3.500 . 5.000 3.686 2.410 3.808 . 0 0 "[ . 1 . 2 ]" 3
80 1 16 ILE HA 1 16 ILE QG 3.500 . 5.000 2.639 2.338 3.020 . 0 0 "[ . 1 . 2 ]" 3
81 1 16 ILE HA 1 16 ILE MG 3.500 . 5.000 2.371 2.217 3.214 . 0 0 "[ . 1 . 2 ]" 3
82 1 25 ILE H 1 25 ILE QG 3.500 . 5.000 2.557 2.223 3.743 . 0 0 "[ . 1 . 2 ]" 3
83 1 6 TYR HA 1 6 TYR QD 3.500 . 4.000 2.567 2.093 3.061 . 0 0 "[ . 1 . 2 ]" 3
84 1 5 TYR HA 1 5 TYR QD 4.000 . 5.000 2.662 2.091 3.046 . 0 0 "[ . 1 . 2 ]" 3
85 1 11 THR H 1 11 THR MG 3.500 . 4.500 3.427 2.571 3.774 . 0 0 "[ . 1 . 2 ]" 3
86 1 26 THR H 1 26 THR MG 3.500 . 4.500 3.759 3.686 3.795 . 0 0 "[ . 1 . 2 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 55
_Distance_constraint_stats_list.Viol_total 29.762
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0258
_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 7 LEU 0.152 0.044 1 0 "[ . 1 . 2 ]"
1 8 SER 0.121 0.036 3 0 "[ . 1 . 2 ]"
1 9 ASP 0.177 0.058 14 0 "[ . 1 . 2 ]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 THR 0.215 0.044 1 0 "[ . 1 . 2 ]"
1 12 ASP 0.322 0.046 2 0 "[ . 1 . 2 ]"
1 13 VAL 0.246 0.058 14 0 "[ . 1 . 2 ]"
1 14 ILE 0.366 0.073 19 0 "[ . 1 . 2 ]"
1 15 PHE 0.331 0.105 21 0 "[ . 1 . 2 ]"
1 16 ILE 0.202 0.046 2 0 "[ . 1 . 2 ]"
1 17 TYR 0.069 0.022 4 0 "[ . 1 . 2 ]"
1 18 PHE 0.366 0.073 19 0 "[ . 1 . 2 ]"
1 19 ALA 0.268 0.105 21 0 "[ . 1 . 2 ]"
1 20 ALA 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 LEU O 1 11 THR N 3.300 . 3.500 3.313 2.931 3.491 . 0 0 "[ . 1 . 2 ]" 4
2 1 8 SER O 1 12 ASP N 3.300 . 3.500 3.239 3.010 3.491 . 0 0 "[ . 1 . 2 ]" 4
3 1 9 ASP O 1 13 VAL N 3.300 . 3.500 3.297 3.062 3.472 . 0 0 "[ . 1 . 2 ]" 4
4 1 10 ILE O 1 14 ILE N 3.300 . 3.500 3.135 2.991 3.345 . 0 0 "[ . 1 . 2 ]" 4
5 1 11 THR O 1 15 PHE N 3.300 . 3.500 3.163 2.739 3.401 . 0 0 "[ . 1 . 2 ]" 4
6 1 12 ASP O 1 16 ILE N 3.300 . 3.500 3.369 3.152 3.505 0.005 2 0 "[ . 1 . 2 ]" 4
7 1 13 VAL O 1 17 TYR N 3.300 . 3.500 3.133 2.851 3.371 . 0 0 "[ . 1 . 2 ]" 4
8 1 14 ILE O 1 18 PHE N 3.300 . 3.500 3.384 3.142 3.497 . 0 0 "[ . 1 . 2 ]" 4
9 1 15 PHE O 1 19 ALA N 3.300 . 3.500 3.285 3.100 3.510 0.010 21 0 "[ . 1 . 2 ]" 4
10 1 16 ILE O 1 20 ALA N 3.300 . 3.500 3.239 3.071 3.444 . 0 0 "[ . 1 . 2 ]" 4
11 1 7 LEU O 1 11 THR H 2.300 . 2.500 2.400 2.214 2.544 0.044 1 0 "[ . 1 . 2 ]" 4
12 1 8 SER O 1 12 ASP H 2.300 . 2.500 2.368 2.224 2.536 0.036 3 0 "[ . 1 . 2 ]" 4
13 1 9 ASP O 1 13 VAL H 2.300 . 2.500 2.423 2.219 2.558 0.058 14 0 "[ . 1 . 2 ]" 4
14 1 10 ILE O 1 14 ILE H 2.300 . 2.500 2.295 2.223 2.483 . 0 0 "[ . 1 . 2 ]" 4
15 1 11 THR O 1 15 PHE H 2.300 . 2.500 2.349 2.217 2.526 0.026 2 0 "[ . 1 . 2 ]" 4
16 1 12 ASP O 1 16 ILE H 2.300 . 2.500 2.428 2.226 2.546 0.046 2 0 "[ . 1 . 2 ]" 4
17 1 13 VAL O 1 17 TYR H 2.300 . 2.500 2.369 2.221 2.522 0.022 4 0 "[ . 1 . 2 ]" 4
18 1 14 ILE O 1 18 PHE H 2.300 . 2.500 2.471 2.229 2.573 0.073 19 0 "[ . 1 . 2 ]" 4
19 1 15 PHE O 1 19 ALA H 2.300 . 2.500 2.435 2.235 2.605 0.105 21 0 "[ . 1 . 2 ]" 4
20 1 16 ILE O 1 20 ALA H 2.300 . 2.500 2.284 2.197 2.493 . 0 0 "[ . 1 . 2 ]" 4
stop_
save_
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