NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369822 |
1bhi   |
4216 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bhi
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 377
_Distance_constraint_stats_list.Viol_count 313
_Distance_constraint_stats_list.Viol_total 151.140
_Distance_constraint_stats_list.Viol_max 0.091
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0241
_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 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 0.304 0.044 15 0 "[ . 1 . 2]"
1 8 LEU 0.031 0.023 6 0 "[ . 1 . 2]"
1 9 CYS 1.295 0.058 7 0 "[ . 1 . 2]"
1 11 ALA 0.643 0.071 1 0 "[ . 1 . 2]"
1 12 PRO 0.034 0.018 3 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.706 0.071 1 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 0.834 0.044 9 0 "[ . 1 . 2]"
1 17 ARG 2.158 0.091 13 0 "[ . 1 . 2]"
1 18 PHE 2.533 0.091 13 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.154 0.040 4 0 "[ . 1 . 2]"
1 21 GLU 0.172 0.040 4 0 "[ . 1 . 2]"
1 22 ASP 0.039 0.019 18 0 "[ . 1 . 2]"
1 23 HIS 0.524 0.049 18 0 "[ . 1 . 2]"
1 24 LEU 2.148 0.058 7 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 HIS 0.482 0.049 3 0 "[ . 1 . 2]"
1 28 LYS 0.382 0.036 13 0 "[ . 1 . 2]"
1 29 HIS 0.060 0.032 6 0 "[ . 1 . 2]"
1 30 LYS 0.179 0.032 6 0 "[ . 1 . 2]"
1 31 HIS 1.458 0.059 19 0 "[ . 1 . 2]"
1 32 GLU 0.325 0.038 6 0 "[ . 1 . 2]"
1 33 MET 0.356 0.059 19 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.051 0.051 2 0 "[ . 1 . 2]"
1 36 LYS 0.051 0.051 2 0 "[ . 1 . 2]"
1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 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 6 PRO HA 1 7 PHE H . . 3.000 2.303 2.176 2.723 . 0 0 "[ . 1 . 2]" 1
2 1 7 PHE HA 1 8 LEU H . . 3.000 2.305 2.167 2.522 . 0 0 "[ . 1 . 2]" 1
3 1 8 LEU HA 1 9 CYS H . . 5.000 2.184 2.167 2.198 . 0 0 "[ . 1 . 2]" 1
4 1 12 PRO HA 1 13 GLY H . . 4.000 3.115 2.187 3.623 . 0 0 "[ . 1 . 2]" 1
5 1 13 GLY QA 1 14 CYS H . . 5.000 2.818 2.672 2.928 . 0 0 "[ . 1 . 2]" 1
6 1 14 CYS HA 1 15 GLY H . . 4.000 2.801 2.217 3.617 . 0 0 "[ . 1 . 2]" 1
7 1 15 GLY QA 1 16 GLN H . . 6.000 2.600 2.364 2.728 . 0 0 "[ . 1 . 2]" 1
8 1 16 GLN HA 1 17 ARG H . . 3.000 2.336 2.257 2.499 . 0 0 "[ . 1 . 2]" 1
9 1 17 ARG HA 1 18 PHE H . . 3.000 2.258 2.227 2.292 . 0 0 "[ . 1 . 2]" 1
10 1 18 PHE HA 1 19 THR H . . 3.000 2.426 2.298 2.654 . 0 0 "[ . 1 . 2]" 1
11 1 19 THR HA 1 20 ASN H . . 4.000 3.421 3.157 3.547 . 0 0 "[ . 1 . 2]" 1
12 1 20 ASN HA 1 21 GLU H . . 5.000 2.281 2.182 2.464 . 0 0 "[ . 1 . 2]" 1
13 1 21 GLU HA 1 22 ASP H . . 5.000 3.499 3.470 3.525 . 0 0 "[ . 1 . 2]" 1
14 1 22 ASP HA 1 23 HIS H . . 5.000 3.598 3.582 3.627 . 0 0 "[ . 1 . 2]" 1
15 1 23 HIS HA 1 24 LEU H . . 4.000 3.550 3.529 3.568 . 0 0 "[ . 1 . 2]" 1
16 1 24 LEU HA 1 25 ALA H . . 4.000 3.562 3.547 3.574 . 0 0 "[ . 1 . 2]" 1
17 1 25 ALA HA 1 26 VAL H . . 5.000 3.635 3.629 3.650 . 0 0 "[ . 1 . 2]" 1
18 1 26 VAL HA 1 27 HIS H . . 5.000 3.568 3.546 3.579 . 0 0 "[ . 1 . 2]" 1
19 1 27 HIS HA 1 28 LYS H . . 5.000 3.603 3.569 3.636 . 0 0 "[ . 1 . 2]" 1
20 1 28 LYS HA 1 29 HIS H . . 5.000 3.580 3.534 3.618 . 0 0 "[ . 1 . 2]" 1
21 1 29 HIS HA 1 30 LYS H . . 5.000 3.599 3.571 3.631 . 0 0 "[ . 1 . 2]" 1
22 1 30 LYS HA 1 31 HIS H . . 4.000 3.582 3.540 3.609 . 0 0 "[ . 1 . 2]" 1
23 1 31 HIS HA 1 32 GLU H . . 4.000 3.594 3.525 3.623 . 0 0 "[ . 1 . 2]" 1
24 1 32 GLU HA 1 33 MET H . . 4.000 3.187 2.613 3.624 . 0 0 "[ . 1 . 2]" 1
25 1 33 MET HA 1 34 THR H . . 4.000 2.627 2.163 3.625 . 0 0 "[ . 1 . 2]" 1
26 1 34 THR HA 1 35 LEU H . . 4.000 3.214 2.372 3.616 . 0 0 "[ . 1 . 2]" 1
27 1 35 LEU HA 1 36 LYS H . . 4.000 2.984 2.187 3.620 . 0 0 "[ . 1 . 2]" 1
28 1 36 LYS HA 1 37 PHE H . . 5.000 2.691 2.181 3.595 . 0 0 "[ . 1 . 2]" 1
29 1 37 PHE HA 1 38 GLY H . . 4.000 3.161 2.256 3.623 . 0 0 "[ . 1 . 2]" 1
30 1 14 CYS H 1 15 GLY QA . . 6.000 4.322 3.593 5.042 . 0 0 "[ . 1 . 2]" 1
31 1 16 GLN H 1 17 ARG HA . . 5.500 5.392 5.309 5.462 . 0 0 "[ . 1 . 2]" 1
32 1 20 ASN H 1 21 GLU HA . . 5.000 4.918 4.655 5.040 0.040 4 0 "[ . 1 . 2]" 1
33 1 21 GLU H 1 22 ASP HA . . 5.500 5.072 4.873 5.160 . 0 0 "[ . 1 . 2]" 1
34 1 24 LEU H 1 25 ALA HA . . 5.500 5.179 5.101 5.258 . 0 0 "[ . 1 . 2]" 1
35 1 25 ALA H 1 26 VAL HA . . 5.500 5.432 5.397 5.475 . 0 0 "[ . 1 . 2]" 1
36 1 26 VAL H 1 27 HIS HA . . 5.500 5.320 5.292 5.365 . 0 0 "[ . 1 . 2]" 1
37 1 28 LYS H 1 29 HIS HA . . 5.500 5.253 5.147 5.333 . 0 0 "[ . 1 . 2]" 1
38 1 31 HIS H 1 32 GLU HA . . 5.500 5.235 4.911 5.351 . 0 0 "[ . 1 . 2]" 1
39 1 35 LEU H 1 36 LYS HA . . 5.500 4.883 4.125 5.551 0.051 2 0 "[ . 1 . 2]" 1
40 1 7 PHE H 1 8 LEU H . . 5.000 4.045 3.584 4.468 . 0 0 "[ . 1 . 2]" 1
41 1 8 LEU H 1 9 CYS H . . 5.000 4.442 4.376 4.505 . 0 0 "[ . 1 . 2]" 1
42 1 13 GLY H 1 14 CYS H . . 5.000 3.069 1.983 3.459 . 0 0 "[ . 1 . 2]" 1
43 1 14 CYS H 1 15 GLY H . . 5.000 3.586 2.272 4.646 . 0 0 "[ . 1 . 2]" 1
44 1 15 GLY H 1 16 GLN H . . 5.000 3.053 2.432 3.905 . 0 0 "[ . 1 . 2]" 1
45 1 16 GLN H 1 17 ARG H . . 5.000 4.629 4.611 4.648 . 0 0 "[ . 1 . 2]" 1
46 1 17 ARG H 1 18 PHE H . . 5.000 4.465 4.439 4.505 . 0 0 "[ . 1 . 2]" 1
47 1 18 PHE H 1 19 THR H . . 5.000 4.437 4.380 4.458 . 0 0 "[ . 1 . 2]" 1
48 1 19 THR H 1 20 ASN H . . 5.000 2.375 2.060 2.543 . 0 0 "[ . 1 . 2]" 1
49 1 20 ASN H 1 21 GLU H . . 5.000 4.416 4.262 4.486 . 0 0 "[ . 1 . 2]" 1
50 1 21 GLU H 1 22 ASP H . . 5.000 2.483 2.285 2.568 . 0 0 "[ . 1 . 2]" 1
51 1 22 ASP H 1 23 HIS H . . 4.000 2.780 2.685 2.885 . 0 0 "[ . 1 . 2]" 1
52 1 23 HIS H 1 24 LEU H . . 4.000 2.533 2.494 2.587 . 0 0 "[ . 1 . 2]" 1
53 1 24 LEU H 1 25 ALA H . . 4.000 2.554 2.455 2.641 . 0 0 "[ . 1 . 2]" 1
54 1 25 ALA H 1 26 VAL H . . 4.000 2.867 2.820 2.920 . 0 0 "[ . 1 . 2]" 1
55 1 26 VAL H 1 27 HIS H . . 5.000 2.693 2.666 2.750 . 0 0 "[ . 1 . 2]" 1
56 1 27 HIS H 1 28 LYS H . . 4.000 2.706 2.611 2.832 . 0 0 "[ . 1 . 2]" 1
57 1 28 LYS H 1 29 HIS H . . 5.000 2.643 2.542 2.742 . 0 0 "[ . 1 . 2]" 1
58 1 29 HIS H 1 30 LYS H . . 4.000 2.785 2.642 3.076 . 0 0 "[ . 1 . 2]" 1
59 1 30 LYS H 1 31 HIS H . . 3.000 2.697 2.609 2.800 . 0 0 "[ . 1 . 2]" 1
60 1 31 HIS H 1 32 GLU H . . 4.000 2.602 2.203 2.743 . 0 0 "[ . 1 . 2]" 1
61 1 32 GLU H 1 33 MET H . . 5.000 2.993 2.460 3.487 . 0 0 "[ . 1 . 2]" 1
62 1 36 LYS H 1 37 PHE H . . 5.000 3.677 2.011 4.675 . 0 0 "[ . 1 . 2]" 1
63 1 6 PRO QB 1 7 PHE H . . 5.000 3.280 2.166 3.866 . 0 0 "[ . 1 . 2]" 1
64 1 7 PHE QB 1 8 LEU H . . 5.000 3.769 3.461 3.942 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU HB3 1 9 CYS H . . 5.000 4.106 3.456 4.464 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU HB2 1 9 CYS H . . 5.000 4.474 4.248 4.620 . 0 0 "[ . 1 . 2]" 1
67 1 12 PRO QB 1 13 GLY H . . 5.000 2.724 2.119 3.660 . 0 0 "[ . 1 . 2]" 1
68 1 14 CYS QB 1 15 GLY H . . 6.000 3.161 2.030 3.998 . 0 0 "[ . 1 . 2]" 1
69 1 16 GLN QB 1 17 ARG H . . 4.000 2.708 2.295 3.535 . 0 0 "[ . 1 . 2]" 1
70 1 17 ARG HB2 1 18 PHE H . . 4.000 4.049 4.020 4.091 0.091 13 0 "[ . 1 . 2]" 1
71 1 17 ARG HB3 1 18 PHE H . . 4.000 3.952 3.754 4.067 0.067 18 0 "[ . 1 . 2]" 1
72 1 18 PHE HB2 1 19 THR H . . 4.000 3.484 3.147 3.754 . 0 0 "[ . 1 . 2]" 1
73 1 18 PHE HB3 1 19 THR H . . 4.000 2.510 2.115 2.780 . 0 0 "[ . 1 . 2]" 1
74 1 19 THR HB 1 20 ASN H . . 5.000 3.900 2.990 4.521 . 0 0 "[ . 1 . 2]" 1
75 1 20 ASN QB 1 21 GLU H . . 4.000 2.816 2.210 3.281 . 0 0 "[ . 1 . 2]" 1
76 1 21 GLU QB 1 22 ASP H . . 5.000 3.351 2.854 3.765 . 0 0 "[ . 1 . 2]" 1
77 1 22 ASP QB 1 23 HIS H . . 4.000 2.380 2.268 2.476 . 0 0 "[ . 1 . 2]" 1
78 1 23 HIS QB 1 24 LEU H . . 5.000 2.711 2.569 2.808 . 0 0 "[ . 1 . 2]" 1
79 1 24 LEU HB2 1 25 ALA H . . 4.000 3.818 3.753 3.942 . 0 0 "[ . 1 . 2]" 1
80 1 24 LEU HB3 1 25 ALA H . . 3.000 2.816 2.681 2.943 . 0 0 "[ . 1 . 2]" 1
81 1 25 ALA MB 1 26 VAL H . . 4.000 2.212 2.168 2.275 . 0 0 "[ . 1 . 2]" 1
82 1 26 VAL HB 1 27 HIS H . . 4.000 3.802 3.741 3.892 . 0 0 "[ . 1 . 2]" 1
83 1 27 HIS QB 1 28 LYS H . . 4.000 2.436 2.208 2.659 . 0 0 "[ . 1 . 2]" 1
84 1 28 LYS QB 1 29 HIS H . . 4.000 2.810 2.411 3.622 . 0 0 "[ . 1 . 2]" 1
85 1 29 HIS HB3 1 30 LYS H . . 3.000 2.649 2.469 2.822 . 0 0 "[ . 1 . 2]" 1
86 1 29 HIS HB2 1 30 LYS H . . 4.000 3.923 3.763 4.032 0.032 6 0 "[ . 1 . 2]" 1
87 1 30 LYS QB 1 31 HIS H . . 4.000 2.768 2.580 3.565 . 0 0 "[ . 1 . 2]" 1
88 1 31 HIS HB2 1 32 GLU H . . 3.000 2.417 2.181 2.774 . 0 0 "[ . 1 . 2]" 1
89 1 31 HIS HB3 1 32 GLU H . . 4.000 3.402 3.028 3.892 . 0 0 "[ . 1 . 2]" 1
90 1 32 GLU QB 1 33 MET H . . 6.000 3.291 2.392 4.096 . 0 0 "[ . 1 . 2]" 1
91 1 33 MET QB 1 34 THR H . . 5.000 3.487 2.015 4.082 . 0 0 "[ . 1 . 2]" 1
92 1 36 LYS QB 1 37 PHE H . . 5.000 3.188 1.873 4.096 . 0 0 "[ . 1 . 2]" 1
93 1 37 PHE QB 1 38 GLY H . . 5.000 3.051 1.830 4.076 . 0 0 "[ . 1 . 2]" 1
94 1 15 GLY H 1 16 GLN QB . . 6.500 4.740 3.682 5.802 . 0 0 "[ . 1 . 2]" 1
95 1 23 HIS H 1 24 LEU HB3 . . 5.000 5.013 4.856 5.049 0.049 18 0 "[ . 1 . 2]" 1
96 1 26 VAL H 1 27 HIS QB . . 6.000 4.350 4.314 4.438 . 0 0 "[ . 1 . 2]" 1
97 1 28 LYS H 1 29 HIS QB . . 6.000 4.339 4.214 4.421 . 0 0 "[ . 1 . 2]" 1
98 1 29 HIS H 1 30 LYS QB . . 6.000 4.583 4.388 5.228 . 0 0 "[ . 1 . 2]" 1
99 1 31 HIS H 1 32 GLU QB . . 6.000 4.438 3.874 4.777 . 0 0 "[ . 1 . 2]" 1
100 1 34 THR H 1 35 LEU QB . . 6.000 4.742 4.136 5.384 . 0 0 "[ . 1 . 2]" 1
101 1 35 LEU H 1 36 LYS QB . . 6.000 4.482 3.362 5.424 . 0 0 "[ . 1 . 2]" 1
102 1 12 PRO QG 1 13 GLY H . . 6.000 3.166 1.917 5.000 . 0 0 "[ . 1 . 2]" 1
103 1 16 GLN QG 1 17 ARG H . . 5.000 3.504 2.174 4.484 . 0 0 "[ . 1 . 2]" 1
104 1 17 ARG QG 1 18 PHE H . . 5.000 2.076 1.976 2.262 . 0 0 "[ . 1 . 2]" 1
105 1 19 THR MG 1 20 ASN H . . 5.500 3.699 2.449 4.387 . 0 0 "[ . 1 . 2]" 1
106 1 21 GLU QG 1 22 ASP H . . 6.000 3.368 2.350 4.762 . 0 0 "[ . 1 . 2]" 1
107 1 24 LEU HG 1 25 ALA H . . 5.000 4.444 4.300 4.549 . 0 0 "[ . 1 . 2]" 1
108 1 26 VAL MG2 1 27 HIS H . . 4.500 2.116 2.055 2.205 . 0 0 "[ . 1 . 2]" 1
109 1 26 VAL MG1 1 27 HIS H . . 5.500 3.927 3.888 3.969 . 0 0 "[ . 1 . 2]" 1
110 1 28 LYS QG 1 29 HIS H . . 6.000 3.704 2.185 4.388 . 0 0 "[ . 1 . 2]" 1
111 1 30 LYS QG 1 31 HIS H . . 6.000 3.965 2.224 4.641 . 0 0 "[ . 1 . 2]" 1
112 1 33 MET QG 1 34 THR H . . 6.000 3.629 2.213 4.819 . 0 0 "[ . 1 . 2]" 1
113 1 34 THR MG 1 35 LEU H . . 5.500 3.386 1.955 4.373 . 0 0 "[ . 1 . 2]" 1
114 1 36 LYS QG 1 37 PHE H . . 6.000 3.488 1.828 4.510 . 0 0 "[ . 1 . 2]" 1
115 1 15 GLY H 1 16 GLN QG . . 6.000 4.246 3.038 5.317 . 0 0 "[ . 1 . 2]" 1
116 1 33 MET H 1 34 THR MG . . 7.000 5.170 4.313 5.840 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU QD 1 9 CYS H . . 6.900 2.883 2.090 3.671 . 0 0 "[ . 1 . 2]" 1
118 1 6 PRO QD 1 7 PHE H . . 6.000 4.858 4.456 5.022 . 0 0 "[ . 1 . 2]" 1
119 1 17 ARG QD 1 18 PHE H . . 6.000 2.893 2.487 3.200 . 0 0 "[ . 1 . 2]" 1
120 1 24 LEU MD1 1 25 ALA H . . 6.000 4.910 4.830 4.988 . 0 0 "[ . 1 . 2]" 1
121 1 24 LEU MD2 1 25 ALA H . . 6.500 4.354 3.716 4.577 . 0 0 "[ . 1 . 2]" 1
122 1 35 LEU QD 1 36 LYS H . . 7.900 3.944 3.074 4.518 . 0 0 "[ . 1 . 2]" 1
123 1 36 LYS QD 1 37 PHE H . . 6.000 4.437 2.099 5.371 . 0 0 "[ . 1 . 2]" 1
124 1 7 PHE H 1 8 LEU QD . . 8.900 5.283 3.332 6.001 . 0 0 "[ . 1 . 2]" 1
125 1 11 ALA H 1 12 PRO QD . . 6.000 4.257 4.139 4.352 . 0 0 "[ . 1 . 2]" 1
126 1 12 PRO HA 1 14 CYS H . . 5.000 4.132 3.824 5.018 0.018 3 0 "[ . 1 . 2]" 1
127 1 14 CYS HA 1 16 GLN H . . 5.000 4.473 3.891 5.021 0.021 13 0 "[ . 1 . 2]" 1
128 1 18 PHE HA 1 20 ASN H . . 5.000 4.044 3.838 4.222 . 0 0 "[ . 1 . 2]" 1
129 1 23 HIS HA 1 25 ALA H . . 5.000 4.132 4.047 4.204 . 0 0 "[ . 1 . 2]" 1
130 1 24 LEU HA 1 26 VAL H . . 5.000 4.909 4.831 4.977 . 0 0 "[ . 1 . 2]" 1
131 1 25 ALA HA 1 27 HIS H . . 5.000 4.464 4.309 4.567 . 0 0 "[ . 1 . 2]" 1
132 1 26 VAL HA 1 28 LYS H . . 5.000 4.623 4.354 4.958 . 0 0 "[ . 1 . 2]" 1
133 1 27 HIS HA 1 29 HIS H . . 5.000 4.492 4.223 4.778 . 0 0 "[ . 1 . 2]" 1
134 1 21 GLU H 1 23 HIS H . . 5.000 4.485 4.314 4.849 . 0 0 "[ . 1 . 2]" 1
135 1 22 ASP H 1 24 LEU H . . 5.000 3.924 3.808 4.062 . 0 0 "[ . 1 . 2]" 1
136 1 24 LEU H 1 26 VAL H . . 5.000 4.606 4.490 4.723 . 0 0 "[ . 1 . 2]" 1
137 1 25 ALA H 1 27 HIS H . . 5.000 3.966 3.843 4.091 . 0 0 "[ . 1 . 2]" 1
138 1 26 VAL H 1 28 LYS H . . 5.000 4.353 4.132 4.617 . 0 0 "[ . 1 . 2]" 1
139 1 28 LYS H 1 30 LYS H . . 5.000 4.238 3.992 4.521 . 0 0 "[ . 1 . 2]" 1
140 1 29 HIS H 1 31 HIS H . . 5.000 4.181 4.058 4.444 . 0 0 "[ . 1 . 2]" 1
141 1 31 HIS H 1 33 MET H . . 5.000 4.205 3.744 4.643 . 0 0 "[ . 1 . 2]" 1
142 1 12 PRO QB 1 14 CYS H . . 6.000 4.354 4.201 4.467 . 0 0 "[ . 1 . 2]" 1
143 1 14 CYS HB3 1 16 GLN H . . 5.000 4.401 3.816 5.008 0.008 11 0 "[ . 1 . 2]" 1
144 1 18 PHE HB3 1 20 ASN H . . 4.000 2.687 2.457 2.842 . 0 0 "[ . 1 . 2]" 1
145 1 20 ASN QB 1 22 ASP H . . 6.000 2.322 2.160 2.438 . 0 0 "[ . 1 . 2]" 1
146 1 22 ASP QB 1 24 LEU H . . 5.000 4.461 4.333 4.500 . 0 0 "[ . 1 . 2]" 1
147 1 25 ALA MB 1 27 HIS H . . 6.500 4.287 4.209 4.374 . 0 0 "[ . 1 . 2]" 1
148 1 31 HIS HB2 1 33 MET H . . 5.000 4.950 4.645 5.059 0.059 19 0 "[ . 1 . 2]" 1
149 1 33 MET QB 1 35 LEU H . . 6.000 3.959 2.649 5.366 . 0 0 "[ . 1 . 2]" 1
150 1 36 LYS QB 1 38 GLY H . . 6.000 4.185 2.550 5.405 . 0 0 "[ . 1 . 2]" 1
151 1 23 HIS H 1 25 ALA MB . . 6.500 4.742 4.686 4.845 . 0 0 "[ . 1 . 2]" 1
152 1 12 PRO QG 1 14 CYS H . . 5.000 4.496 4.458 4.530 . 0 0 "[ . 1 . 2]" 1
153 1 26 VAL MG2 1 28 LYS H . . 5.500 4.368 4.252 4.566 . 0 0 "[ . 1 . 2]" 1
154 1 36 LYS QG 1 38 GLY H . . 6.000 4.182 2.252 5.360 . 0 0 "[ . 1 . 2]" 1
155 1 12 PRO QD 1 14 CYS H . . 5.000 4.018 3.356 4.247 . 0 0 "[ . 1 . 2]" 1
156 1 17 ARG QD 1 19 THR H . . 5.000 4.335 4.020 4.500 . 0 0 "[ . 1 . 2]" 1
157 1 23 HIS HA 1 26 VAL H . . 5.000 3.653 3.572 3.742 . 0 0 "[ . 1 . 2]" 1
158 1 24 LEU HA 1 27 HIS H . . 5.000 3.601 3.517 3.735 . 0 0 "[ . 1 . 2]" 1
159 1 25 ALA HA 1 28 LYS H . . 5.000 3.651 3.447 3.962 . 0 0 "[ . 1 . 2]" 1
160 1 26 VAL HA 1 29 HIS H . . 5.000 3.477 3.287 3.696 . 0 0 "[ . 1 . 2]" 1
161 1 27 HIS HA 1 30 LYS H . . 5.000 3.666 3.423 4.034 . 0 0 "[ . 1 . 2]" 1
162 1 28 LYS HA 1 31 HIS H . . 5.000 3.272 3.013 3.422 . 0 0 "[ . 1 . 2]" 1
163 1 29 HIS HA 1 32 GLU H . . 5.000 3.458 3.156 3.883 . 0 0 "[ . 1 . 2]" 1
164 1 11 ALA H 1 14 CYS H . . 5.000 4.792 4.315 5.071 0.071 1 0 "[ . 1 . 2]" 1
165 1 20 ASN H 1 23 HIS H . . 5.500 4.166 3.932 4.592 . 0 0 "[ . 1 . 2]" 1
166 1 21 GLU H 1 24 LEU H . . 5.500 4.859 4.753 4.983 . 0 0 "[ . 1 . 2]" 1
167 1 24 LEU H 1 27 HIS H . . 5.000 4.805 4.762 4.888 . 0 0 "[ . 1 . 2]" 1
168 1 25 ALA H 1 28 LYS H . . 5.000 4.588 4.451 4.694 . 0 0 "[ . 1 . 2]" 1
169 1 28 LYS H 1 31 HIS H . . 5.000 4.951 4.815 5.036 0.036 13 0 "[ . 1 . 2]" 1
170 1 11 ALA MB 1 14 CYS H . . 4.500 3.034 2.120 3.378 . 0 0 "[ . 1 . 2]" 1
171 1 20 ASN QB 1 23 HIS H . . 5.000 2.770 2.463 3.571 . 0 0 "[ . 1 . 2]" 1
172 1 22 ASP QB 1 25 ALA H . . 6.000 4.763 4.641 4.923 . 0 0 "[ . 1 . 2]" 1
173 1 25 ALA MB 1 28 LYS H . . 6.500 4.691 4.492 4.947 . 0 0 "[ . 1 . 2]" 1
174 1 27 HIS QB 1 30 LYS H . . 6.000 5.102 4.903 5.359 . 0 0 "[ . 1 . 2]" 1
175 1 33 MET QB 1 36 LYS H . . 6.000 3.799 2.251 5.353 . 0 0 "[ . 1 . 2]" 1
176 1 11 ALA H 1 14 CYS HB3 . . 5.000 4.836 4.133 5.038 0.038 12 0 "[ . 1 . 2]" 1
177 1 30 LYS H 1 33 MET QB . . 6.000 4.897 4.481 5.356 . 0 0 "[ . 1 . 2]" 1
178 1 26 VAL MG2 1 29 HIS H . . 6.500 4.982 4.847 5.161 . 0 0 "[ . 1 . 2]" 1
179 1 23 HIS HA 1 27 HIS H . . 5.000 4.094 3.993 4.190 . 0 0 "[ . 1 . 2]" 1
180 1 24 LEU HA 1 28 LYS H . . 5.000 3.720 3.340 3.900 . 0 0 "[ . 1 . 2]" 1
181 1 25 ALA HA 1 29 HIS H . . 5.000 3.982 3.797 4.124 . 0 0 "[ . 1 . 2]" 1
182 1 26 VAL HA 1 30 LYS H . . 5.000 4.285 4.028 4.621 . 0 0 "[ . 1 . 2]" 1
183 1 11 ALA H 1 15 GLY QA . . 5.000 3.039 2.485 3.757 . 0 0 "[ . 1 . 2]" 1
184 1 11 ALA MB 1 15 GLY H . . 5.500 3.569 1.855 4.602 . 0 0 "[ . 1 . 2]" 1
185 1 20 ASN QB 1 24 LEU H . . 5.000 4.441 4.204 4.874 . 0 0 "[ . 1 . 2]" 1
186 1 22 ASP QB 1 26 VAL H . . 6.500 5.279 5.011 5.687 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU HG 1 28 LYS H . . 4.000 3.873 3.457 4.026 0.026 14 0 "[ . 1 . 2]" 1
188 1 26 VAL QG 1 30 LYS H . . 8.900 4.902 4.699 5.067 . 0 0 "[ . 1 . 2]" 1
189 1 7 PHE H 1 17 ARG HA . . 5.000 4.719 4.048 5.044 0.044 15 0 "[ . 1 . 2]" 1
190 1 7 PHE HA 1 18 PHE H . . 5.000 4.731 4.545 4.954 . 0 0 "[ . 1 . 2]" 1
191 1 8 LEU H 1 17 ARG HA . . 5.000 4.759 4.584 5.023 0.023 6 0 "[ . 1 . 2]" 1
192 1 9 CYS H 1 17 ARG HA . . 4.000 3.179 2.914 3.523 . 0 0 "[ . 1 . 2]" 1
193 1 9 CYS H 1 16 GLN HA . . 5.000 4.948 4.822 5.010 0.010 4 0 "[ . 1 . 2]" 1
194 1 7 PHE H 1 18 PHE H . . 4.000 3.242 2.656 3.704 . 0 0 "[ . 1 . 2]" 1
195 1 9 CYS H 1 16 GLN H . . 5.000 4.033 3.709 4.178 . 0 0 "[ . 1 . 2]" 1
196 1 9 CYS H 1 17 ARG H . . 5.000 4.945 4.828 5.029 0.029 13 0 "[ . 1 . 2]" 1
197 1 8 LEU QD 1 16 GLN H . . 7.900 4.426 3.531 5.862 . 0 0 "[ . 1 . 2]" 1
198 1 8 LEU QD 1 17 ARG H . . 7.900 4.319 3.835 4.804 . 0 0 "[ . 1 . 2]" 1
199 1 8 LEU QD 1 18 PHE H . . 8.900 4.812 3.335 5.497 . 0 0 "[ . 1 . 2]" 1
200 1 11 ALA MB 1 16 GLN H . . 5.500 4.156 3.490 4.589 . 0 0 "[ . 1 . 2]" 1
201 1 7 PHE QB 1 18 PHE H . . 6.000 2.707 2.095 3.100 . 0 0 "[ . 1 . 2]" 1
202 1 7 PHE HB2 1 20 ASN H . . 5.000 4.222 3.278 4.995 . 0 0 "[ . 1 . 2]" 1
203 1 7 PHE QB 1 24 LEU H . . 6.000 4.386 4.106 4.631 . 0 0 "[ . 1 . 2]" 1
204 1 7 PHE H 1 18 PHE HB2 . . 5.000 4.677 4.230 5.032 0.032 14 0 "[ . 1 . 2]" 1
205 1 9 CYS HB2 1 16 GLN H . . 5.000 4.228 3.580 4.684 . 0 0 "[ . 1 . 2]" 1
206 1 9 CYS HB3 1 16 GLN H . . 4.000 2.734 2.316 3.253 . 0 0 "[ . 1 . 2]" 1
207 1 18 PHE QB 1 23 HIS H . . 6.000 3.989 3.889 4.220 . 0 0 "[ . 1 . 2]" 1
208 1 18 PHE QB 1 24 LEU H . . 5.000 3.453 3.116 3.712 . 0 0 "[ . 1 . 2]" 1
209 1 19 THR MG 1 20 ASN QD . . 7.500 4.495 2.493 5.571 . 0 0 "[ . 1 . 2]" 1
210 1 20 ASN QD 1 21 GLU H . . 6.000 4.219 3.260 5.140 . 0 0 "[ . 1 . 2]" 1
211 1 20 ASN QD 1 22 ASP H . . 5.000 3.878 2.921 4.513 . 0 0 "[ . 1 . 2]" 1
212 1 20 ASN QD 1 23 HIS H . . 6.000 4.416 2.029 5.365 . 0 0 "[ . 1 . 2]" 1
213 1 18 PHE HZ 1 27 HIS HE1 . . 5.000 3.758 3.489 4.125 . 0 0 "[ . 1 . 2]" 1
214 1 18 PHE QE 1 27 HIS HE1 . . 7.000 4.635 4.243 4.960 . 0 0 "[ . 1 . 2]" 1
215 1 16 GLN QE 1 27 HIS HE1 . . 6.000 3.655 2.407 5.358 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLN QB 1 27 HIS HE1 . . 5.000 3.121 2.678 3.697 . 0 0 "[ . 1 . 2]" 1
217 1 16 GLN QG 1 27 HIS HE1 . . 6.000 3.496 2.183 4.583 . 0 0 "[ . 1 . 2]" 1
218 1 18 PHE HZ 1 27 HIS HD2 . . 5.000 3.926 3.412 4.598 . 0 0 "[ . 1 . 2]" 1
219 1 27 HIS HD2 1 31 HIS HD2 . . 4.000 3.356 3.070 3.623 . 0 0 "[ . 1 . 2]" 1
220 1 18 PHE QE 1 27 HIS HD2 . . 7.000 2.909 2.457 3.372 . 0 0 "[ . 1 . 2]" 1
221 1 18 PHE QD 1 27 HIS HD2 . . 7.000 4.827 4.533 5.329 . 0 0 "[ . 1 . 2]" 1
222 1 27 HIS H 1 27 HIS HD2 . . 5.000 4.957 4.738 5.049 0.049 3 0 "[ . 1 . 2]" 1
223 1 27 HIS HD2 1 28 LYS H . . 5.000 3.750 2.918 4.183 . 0 0 "[ . 1 . 2]" 1
224 1 9 CYS H 1 27 HIS HD2 . . 5.000 4.748 4.526 5.010 0.010 12 0 "[ . 1 . 2]" 1
225 1 26 VAL QG 1 27 HIS HD2 . . 7.900 5.854 5.786 5.874 . 0 0 "[ . 1 . 2]" 1
226 1 27 HIS HD2 1 28 LYS QG . . 6.000 4.383 2.876 5.367 . 0 0 "[ . 1 . 2]" 1
227 1 27 HIS HD2 1 28 LYS QD . . 6.000 4.627 3.684 5.360 . 0 0 "[ . 1 . 2]" 1
228 1 9 CYS HB2 1 27 HIS HD2 . . 5.000 2.273 2.197 2.440 . 0 0 "[ . 1 . 2]" 1
229 1 9 CYS HB3 1 27 HIS HD2 . . 5.000 3.065 2.674 3.384 . 0 0 "[ . 1 . 2]" 1
230 1 9 CYS HA 1 27 HIS HD2 . . 5.000 4.396 4.152 4.595 . 0 0 "[ . 1 . 2]" 1
231 1 27 HIS HD2 1 28 LYS HA . . 4.000 3.817 3.226 4.032 0.032 20 0 "[ . 1 . 2]" 1
232 1 11 ALA MB 1 31 HIS HE1 . . 5.500 4.305 3.229 4.588 . 0 0 "[ . 1 . 2]" 1
233 1 31 HIS H 1 31 HIS HD2 . . 5.000 3.587 3.333 3.810 . 0 0 "[ . 1 . 2]" 1
234 1 28 LYS HA 1 31 HIS HD2 . . 3.000 2.307 2.138 2.544 . 0 0 "[ . 1 . 2]" 1
235 1 28 LYS H 1 31 HIS HD2 . . 5.000 4.468 4.263 4.640 . 0 0 "[ . 1 . 2]" 1
236 1 28 LYS QG 1 31 HIS HD2 . . 6.000 4.130 3.157 5.222 . 0 0 "[ . 1 . 2]" 1
237 1 28 LYS QB 1 31 HIS HD2 . . 6.000 4.204 3.541 4.700 . 0 0 "[ . 1 . 2]" 1
238 1 27 HIS HB3 1 31 HIS HD2 . . 5.000 4.924 4.472 5.019 0.019 20 0 "[ . 1 . 2]" 1
239 1 9 CYS QB 1 31 HIS HD2 . . 6.000 4.347 3.917 4.599 . 0 0 "[ . 1 . 2]" 1
240 1 24 LEU HG 1 31 HIS HD2 . . 6.000 6.032 6.020 6.043 0.043 13 0 "[ . 1 . 2]" 1
241 1 11 ALA MB 1 31 HIS HD2 . . 5.500 3.636 2.406 4.582 . 0 0 "[ . 1 . 2]" 1
242 1 20 ASN QD 1 23 HIS HE1 . . 6.000 4.305 2.788 5.347 . 0 0 "[ . 1 . 2]" 1
243 1 16 GLN QE 1 18 PHE HZ . . 6.000 3.783 2.574 5.353 . 0 0 "[ . 1 . 2]" 1
244 1 17 ARG H 1 18 PHE HZ . . 5.000 5.036 5.024 5.063 0.063 2 0 "[ . 1 . 2]" 1
245 1 16 GLN H 1 18 PHE HZ . . 5.000 5.024 4.942 5.044 0.044 9 0 "[ . 1 . 2]" 1
246 1 18 PHE HZ 1 26 VAL MG2 . . 6.500 5.425 5.374 5.440 . 0 0 "[ . 1 . 2]" 1
247 1 16 GLN QB 1 18 PHE HZ . . 4.000 2.466 2.349 2.677 . 0 0 "[ . 1 . 2]" 1
248 1 16 GLN QG 1 18 PHE HZ . . 6.000 3.871 2.837 4.390 . 0 0 "[ . 1 . 2]" 1
249 1 18 PHE HZ 1 27 HIS HB2 . . 4.000 3.063 2.906 3.205 . 0 0 "[ . 1 . 2]" 1
250 1 18 PHE HZ 1 27 HIS HB3 . . 4.000 3.840 3.676 4.015 0.015 1 0 "[ . 1 . 2]" 1
251 1 16 GLN QE 1 18 PHE QE . . 8.000 4.090 2.725 5.682 . 0 0 "[ . 1 . 2]" 1
252 1 16 GLN H 1 18 PHE QE . . 7.000 4.199 3.889 4.473 . 0 0 "[ . 1 . 2]" 1
253 1 17 ARG H 1 18 PHE QE . . 7.000 4.323 4.148 4.422 . 0 0 "[ . 1 . 2]" 1
254 1 18 PHE QE 1 26 VAL QG . . 8.900 4.786 4.622 4.963 . 0 0 "[ . 1 . 2]" 1
255 1 16 GLN QB 1 18 PHE QE . . 5.000 2.520 2.243 2.750 . 0 0 "[ . 1 . 2]" 1
256 1 9 CYS HA 1 18 PHE QE . . 7.000 4.989 4.561 5.555 . 0 0 "[ . 1 . 2]" 1
257 1 17 ARG HA 1 18 PHE QE . . 7.000 3.963 3.745 4.202 . 0 0 "[ . 1 . 2]" 1
258 1 16 GLN HA 1 18 PHE QE . . 7.000 4.735 4.584 4.818 . 0 0 "[ . 1 . 2]" 1
259 1 18 PHE QE 1 27 HIS QB . . 7.000 3.190 3.100 3.281 . 0 0 "[ . 1 . 2]" 1
260 1 9 CYS HB2 1 18 PHE QE . . 6.000 2.864 2.503 3.663 . 0 0 "[ . 1 . 2]" 1
261 1 9 CYS HB3 1 18 PHE QE . . 6.000 3.338 2.549 3.874 . 0 0 "[ . 1 . 2]" 1
262 1 16 GLN QG 1 18 PHE QE . . 8.000 4.206 3.085 4.536 . 0 0 "[ . 1 . 2]" 1
263 1 18 PHE QE 1 24 LEU HG . . 5.000 4.368 3.991 4.482 . 0 0 "[ . 1 . 2]" 1
264 1 16 GLN H 1 18 PHE QD . . 7.000 5.977 5.685 6.239 . 0 0 "[ . 1 . 2]" 1
265 1 17 ARG H 1 18 PHE QD . . 7.000 4.523 4.341 4.646 . 0 0 "[ . 1 . 2]" 1
266 1 18 PHE QD 1 19 THR H . . 7.000 4.119 3.893 4.372 . 0 0 "[ . 1 . 2]" 1
267 1 17 ARG HA 1 18 PHE QD . . 4.000 2.995 2.898 3.161 . 0 0 "[ . 1 . 2]" 1
268 1 18 PHE QD 1 23 HIS HB3 . . 6.000 2.603 2.477 2.797 . 0 0 "[ . 1 . 2]" 1
269 1 18 PHE QD 1 23 HIS HB2 . . 6.000 2.939 2.596 3.134 . 0 0 "[ . 1 . 2]" 1
270 1 9 CYS HA 1 18 PHE QD . . 7.000 5.399 4.858 5.769 . 0 0 "[ . 1 . 2]" 1
271 1 18 PHE QD 1 23 HIS HA . . 7.000 4.868 4.702 5.067 . 0 0 "[ . 1 . 2]" 1
272 1 18 PHE QD 1 24 LEU MD2 . . 8.500 4.379 4.261 4.504 . 0 0 "[ . 1 . 2]" 1
273 1 18 PHE QD 1 24 LEU QB . . 7.000 3.260 2.664 3.693 . 0 0 "[ . 1 . 2]" 1
274 1 18 PHE QD 1 24 LEU HG . . 5.000 4.359 3.830 4.468 . 0 0 "[ . 1 . 2]" 1
275 1 17 ARG QG 1 18 PHE QD . . 7.000 4.276 4.072 4.464 . 0 0 "[ . 1 . 2]" 1
276 1 17 ARG HB2 1 18 PHE QD . . 6.000 5.349 5.250 5.513 . 0 0 "[ . 1 . 2]" 1
277 1 17 ARG HB3 1 18 PHE QD . . 7.000 5.351 5.294 5.375 . 0 0 "[ . 1 . 2]" 1
278 1 7 PHE QE 1 21 GLU H . . 5.000 3.321 2.628 3.786 . 0 0 "[ . 1 . 2]" 1
279 1 7 PHE QE 1 22 ASP H . . 7.000 5.427 4.985 5.762 . 0 0 "[ . 1 . 2]" 1
280 1 7 PHE H 1 7 PHE QE . . 7.000 4.412 4.088 5.398 . 0 0 "[ . 1 . 2]" 1
281 1 7 PHE QE 1 24 LEU MD2 . . 7.500 4.807 4.478 5.227 . 0 0 "[ . 1 . 2]" 1
282 1 6 PRO QB 1 7 PHE QE . . 8.000 6.090 4.990 6.369 . 0 0 "[ . 1 . 2]" 1
283 1 7 PHE QE 1 21 GLU HB3 . . 5.000 3.358 2.192 4.346 . 0 0 "[ . 1 . 2]" 1
284 1 7 PHE QE 1 21 GLU HB2 . . 7.000 3.429 2.227 4.693 . 0 0 "[ . 1 . 2]" 1
285 1 7 PHE QE 1 21 GLU QG . . 7.000 3.693 2.519 4.251 . 0 0 "[ . 1 . 2]" 1
286 1 7 PHE QE 1 21 GLU HA . . 7.000 3.992 3.169 4.367 . 0 0 "[ . 1 . 2]" 1
287 1 7 PHE H 1 7 PHE QD . . 5.000 2.415 1.945 3.566 . 0 0 "[ . 1 . 2]" 1
288 1 7 PHE QD 1 21 GLU H . . 7.000 4.021 3.599 4.336 . 0 0 "[ . 1 . 2]" 1
289 1 7 PHE QD 1 18 PHE H . . 7.000 4.179 3.741 4.385 . 0 0 "[ . 1 . 2]" 1
290 1 7 PHE QD 1 8 LEU H . . 6.000 4.739 4.420 5.014 . 0 0 "[ . 1 . 2]" 1
291 1 7 PHE QD 1 19 THR HA . . 7.000 3.157 2.409 3.776 . 0 0 "[ . 1 . 2]" 1
292 1 6 PRO HA 1 7 PHE QD . . 7.000 3.784 3.192 4.454 . 0 0 "[ . 1 . 2]" 1
293 1 7 PHE QD 1 18 PHE HB3 . . 7.000 5.028 4.518 5.395 . 0 0 "[ . 1 . 2]" 1
294 1 7 PHE QD 1 21 GLU HA . . 6.000 3.204 2.428 3.614 . 0 0 "[ . 1 . 2]" 1
295 1 7 PHE QD 1 21 GLU QG . . 8.000 4.036 2.418 5.144 . 0 0 "[ . 1 . 2]" 1
296 1 7 PHE QD 1 17 ARG QG . . 6.000 4.679 3.755 4.789 . 0 0 "[ . 1 . 2]" 1
297 1 6 PRO QB 1 7 PHE QD . . 7.000 4.900 3.652 5.486 . 0 0 "[ . 1 . 2]" 1
298 1 7 PHE QD 1 24 LEU HG . . 7.000 5.782 5.360 6.198 . 0 0 "[ . 1 . 2]" 1
299 1 7 PHE QD 1 24 LEU MD2 . . 8.500 2.980 2.543 3.689 . 0 0 "[ . 1 . 2]" 1
300 1 7 PHE QD 1 24 LEU HB2 . . 8.500 4.046 3.401 4.546 . 0 0 "[ . 1 . 2]" 1
301 1 7 PHE H 1 17 ARG QD . . 6.000 3.889 2.668 4.947 . 0 0 "[ . 1 . 2]" 1
302 1 7 PHE HZ 1 21 GLU H . . 4.000 3.803 3.355 4.012 0.012 3 0 "[ . 1 . 2]" 1
303 1 9 CYS H 1 18 PHE QE . . 7.000 3.758 3.366 4.161 . 0 0 "[ . 1 . 2]" 1
304 1 9 CYS H 1 18 PHE QD . . 7.000 4.016 3.745 4.354 . 0 0 "[ . 1 . 2]" 1
305 1 18 PHE H 1 18 PHE QD . . 5.500 2.652 2.427 2.890 . 0 0 "[ . 1 . 2]" 1
306 1 18 PHE QE 1 19 THR H . . 8.000 6.258 6.065 6.472 . 0 0 "[ . 1 . 2]" 1
307 1 18 PHE QD 1 27 HIS H . . 7.500 6.007 5.914 6.156 . 0 0 "[ . 1 . 2]" 1
308 1 18 PHE QD 1 28 LYS H . . 7.500 6.566 6.125 6.696 . 0 0 "[ . 1 . 2]" 1
309 1 22 ASP H 1 23 HIS HD2 . . 6.000 5.582 4.403 6.019 0.019 18 0 "[ . 1 . 2]" 1
310 1 23 HIS H 1 23 HIS HD2 . . 5.000 3.505 2.312 4.091 . 0 0 "[ . 1 . 2]" 1
311 1 18 PHE H 1 24 LEU MD2 . . 6.500 5.419 5.415 5.426 . 0 0 "[ . 1 . 2]" 1
312 1 31 HIS HD2 1 32 GLU H . . 5.000 4.927 4.641 5.038 0.038 6 0 "[ . 1 . 2]" 1
313 1 17 ARG HA 1 18 PHE QB . . 6.000 4.390 4.305 4.459 . 0 0 "[ . 1 . 2]" 1
314 1 18 PHE HB2 1 24 LEU HB2 . . 5.000 3.255 2.550 3.475 . 0 0 "[ . 1 . 2]" 1
315 1 18 PHE HB3 1 24 LEU HB2 . . 5.000 4.712 4.080 5.004 0.004 10 0 "[ . 1 . 2]" 1
316 1 18 PHE QB 1 24 LEU QD . . 9.900 3.178 2.777 3.416 . 0 0 "[ . 1 . 2]" 1
317 1 11 ALA HA 1 12 PRO QD . . 4.000 2.081 1.982 2.237 . 0 0 "[ . 1 . 2]" 1
318 1 11 ALA MB 1 12 PRO QD . . 5.500 2.151 1.940 2.463 . 0 0 "[ . 1 . 2]" 1
319 1 9 CYS QB 1 17 ARG HA . . 6.500 4.389 4.154 4.811 . 0 0 "[ . 1 . 2]" 1
320 1 9 CYS HB2 1 16 GLN QB . . 7.000 4.051 3.545 4.382 . 0 0 "[ . 1 . 2]" 1
321 1 9 CYS HB2 1 24 LEU QD . . 7.900 2.126 1.970 2.532 . 0 0 "[ . 1 . 2]" 1
322 1 9 CYS HB3 1 24 LEU QD . . 8.900 3.235 2.260 3.605 . 0 0 "[ . 1 . 2]" 1
323 1 9 CYS HB2 1 24 LEU HG . . 4.000 3.174 2.847 3.425 . 0 0 "[ . 1 . 2]" 1
324 1 9 CYS HB3 1 24 LEU HG . . 5.000 4.869 3.859 5.058 0.058 12 0 "[ . 1 . 2]" 1
325 1 9 CYS HB2 1 11 ALA MB . . 6.500 4.847 4.187 5.290 . 0 0 "[ . 1 . 2]" 1
326 1 9 CYS HB3 1 11 ALA MB . . 6.500 3.990 3.506 4.797 . 0 0 "[ . 1 . 2]" 1
327 1 9 CYS HB3 1 16 GLN HA . . 5.000 4.873 4.434 5.038 0.038 11 0 "[ . 1 . 2]" 1
328 1 9 CYS HA 1 24 LEU HG . . 4.000 3.679 2.991 4.047 0.047 10 0 "[ . 1 . 2]" 1
329 1 25 ALA MB 1 26 VAL HA . . 6.500 3.802 3.784 3.817 . 0 0 "[ . 1 . 2]" 1
330 1 22 ASP HA 1 25 ALA MB . . 5.500 2.743 2.643 2.876 . 0 0 "[ . 1 . 2]" 1
331 1 22 ASP HA 1 26 VAL QG . . 8.900 4.168 4.049 4.267 . 0 0 "[ . 1 . 2]" 1
332 1 22 ASP QB 1 25 ALA MB . . 6.500 4.212 4.016 4.500 . 0 0 "[ . 1 . 2]" 1
333 1 22 ASP QB 1 26 VAL QG . . 9.900 4.179 3.915 4.574 . 0 0 "[ . 1 . 2]" 1
334 1 16 GLN HA 1 17 ARG QB . . 5.000 3.921 3.884 3.964 . 0 0 "[ . 1 . 2]" 1
335 1 9 CYS HB3 1 16 GLN QB . . 6.000 3.392 3.090 3.747 . 0 0 "[ . 1 . 2]" 1
336 1 24 LEU MD1 1 27 HIS HB2 . . 6.500 4.757 4.476 5.425 . 0 0 "[ . 1 . 2]" 1
337 1 18 PHE QB 1 23 HIS QB . . 6.000 2.156 2.028 2.379 . 0 0 "[ . 1 . 2]" 1
338 1 7 PHE QB 1 24 LEU HB2 . . 6.000 2.688 2.425 2.936 . 0 0 "[ . 1 . 2]" 1
339 1 7 PHE QB 1 24 LEU HB3 . . 6.000 3.725 3.387 4.232 . 0 0 "[ . 1 . 2]" 1
340 1 17 ARG HA 1 24 LEU QD . . 8.900 3.487 3.218 3.712 . 0 0 "[ . 1 . 2]" 1
341 1 30 LYS HA 1 33 MET QB . . 5.000 2.830 2.467 4.048 . 0 0 "[ . 1 . 2]" 1
342 1 30 LYS HA 1 33 MET QG . . 5.000 4.079 2.562 4.497 . 0 0 "[ . 1 . 2]" 1
343 1 26 VAL HA 1 29 HIS QB . . 5.000 2.498 2.293 2.761 . 0 0 "[ . 1 . 2]" 1
344 1 25 ALA HA 1 28 LYS QB . . 5.000 3.039 2.532 4.204 . 0 0 "[ . 1 . 2]" 1
345 1 25 ALA HA 1 28 LYS QG . . 5.000 3.835 2.397 4.502 . 0 0 "[ . 1 . 2]" 1
346 1 21 GLU HA 1 24 LEU QB . . 5.000 2.312 2.150 2.500 . 0 0 "[ . 1 . 2]" 1
347 1 21 GLU HA 1 24 LEU MD2 . . 6.500 3.360 3.074 3.569 . 0 0 "[ . 1 . 2]" 1
348 1 7 PHE QB 1 24 LEU MD2 . . 6.500 2.360 2.083 2.923 . 0 0 "[ . 1 . 2]" 1
349 1 7 PHE QB 1 24 LEU MD1 . . 7.500 2.151 2.057 2.296 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU MD2 1 25 ALA HA . . 6.500 4.371 3.411 4.726 . 0 0 "[ . 1 . 2]" 1
351 1 24 LEU QD 1 28 LYS QB . . 9.900 3.740 2.960 4.349 . 0 0 "[ . 1 . 2]" 1
352 1 18 PHE QB 1 19 THR MG . . 7.500 4.392 3.504 5.306 . 0 0 "[ . 1 . 2]" 1
353 1 6 PRO HA 1 7 PHE QB . . 6.000 4.497 4.312 4.798 . 0 0 "[ . 1 . 2]" 1
354 1 11 ALA HA 1 14 CYS HB3 . . 5.000 4.842 4.641 5.025 0.025 3 0 "[ . 1 . 2]" 1
355 1 21 GLU HA 1 22 ASP QB . . 6.000 5.255 5.072 5.372 . 0 0 "[ . 1 . 2]" 1
356 1 8 LEU QD 1 17 ARG QG . . 7.900 3.033 1.996 3.888 . 0 0 "[ . 1 . 2]" 1
357 1 8 LEU QD 1 17 ARG QB . . 7.900 2.509 2.044 3.422 . 0 0 "[ . 1 . 2]" 1
358 1 8 LEU QD 1 16 GLN HA . . 7.900 4.280 3.806 5.161 . 0 0 "[ . 1 . 2]" 1
359 1 7 PHE HA 1 24 LEU MD2 . . 6.500 3.703 2.939 4.172 . 0 0 "[ . 1 . 2]" 1
360 1 8 LEU QD 1 17 ARG HA . . 8.900 3.361 2.382 4.068 . 0 0 "[ . 1 . 2]" 1
361 1 27 HIS HA 1 30 LYS QB . . 6.000 3.215 2.733 4.638 . 0 0 "[ . 1 . 2]" 1
362 1 24 LEU HA 1 27 HIS QB . . 6.000 2.344 2.191 2.551 . 0 0 "[ . 1 . 2]" 1
363 1 7 PHE H 1 17 ARG QG . . 6.000 2.983 2.230 3.471 . 0 0 "[ . 1 . 2]" 1
364 1 9 CYS H 1 17 ARG QG . . 6.000 4.758 4.446 5.180 . 0 0 "[ . 1 . 2]" 1
365 1 9 CYS H 1 24 LEU MD1 . . 4.500 2.634 2.566 2.760 . 0 0 "[ . 1 . 2]" 1
366 1 9 CYS H 1 24 LEU HG . . 5.000 5.015 4.830 5.058 0.058 7 0 "[ . 1 . 2]" 1
367 1 8 LEU H 1 24 LEU MD2 . . 5.500 4.432 4.028 4.597 . 0 0 "[ . 1 . 2]" 1
368 1 33 MET QG 1 35 LEU H . . 6.000 3.869 2.066 5.364 . 0 0 "[ . 1 . 2]" 1
369 1 33 MET QG 1 36 LYS H . . 6.000 3.824 2.113 5.355 . 0 0 "[ . 1 . 2]" 1
370 1 30 LYS HA 1 32 GLU H . . 5.000 4.798 4.497 5.027 0.027 7 0 "[ . 1 . 2]" 1
371 1 30 LYS QB 1 32 GLU H . . 6.000 4.958 4.720 5.371 . 0 0 "[ . 1 . 2]" 1
372 1 29 HIS H 1 32 GLU QB . . 6.000 4.902 4.352 5.394 . 0 0 "[ . 1 . 2]" 1
373 1 13 GLY H 1 14 CYS HB3 . . 6.000 4.942 4.322 5.770 . 0 0 "[ . 1 . 2]" 1
374 1 11 ALA MB 1 13 GLY H . . 6.500 4.134 2.943 5.143 . 0 0 "[ . 1 . 2]" 1
375 1 11 ALA MB 1 14 CYS HB2 . . 6.500 3.451 3.166 3.625 . 0 0 "[ . 1 . 2]" 1
376 1 11 ALA MB 1 14 CYS HB3 . . 4.500 2.126 2.007 2.281 . 0 0 "[ . 1 . 2]" 1
377 1 14 CYS HB2 1 15 GLY QA . . 6.000 5.296 5.207 5.420 . 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 31
_Distance_constraint_stats_list.Viol_count 64
_Distance_constraint_stats_list.Viol_total 76.993
_Distance_constraint_stats_list.Viol_max 0.203
_Distance_constraint_stats_list.Viol_rms 0.0232
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0602
_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 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 1.017 0.084 12 0 "[ . 1 . 2]"
1 17 ARG 2.732 0.203 6 0 "[ . 1 . 2]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.100 0.100 16 0 "[ . 1 . 2]"
1 23 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 HIS 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 8 LEU H 1 8 LEU HB3 . . 4.000 2.879 2.350 3.647 . 0 0 "[ . 1 . 2]" 2
2 1 8 LEU H 1 8 LEU HB2 . . 4.000 2.524 2.162 2.842 . 0 0 "[ . 1 . 2]" 2
3 1 9 CYS H 1 9 CYS HB2 . . 4.000 2.721 2.561 3.467 . 0 0 "[ . 1 . 2]" 2
4 1 9 CYS H 1 9 CYS HB3 . . 3.000 2.374 2.133 2.451 . 0 0 "[ . 1 . 2]" 2
5 1 9 CYS HA 1 9 CYS HB2 . . 3.000 2.417 2.271 2.461 . 0 0 "[ . 1 . 2]" 2
6 1 14 CYS H 1 14 CYS HB3 . . 3.000 2.776 2.387 3.084 0.084 12 0 "[ . 1 . 2]" 2
7 1 14 CYS H 1 14 CYS HB2 . . 4.000 3.060 2.403 3.624 . 0 0 "[ . 1 . 2]" 2
8 1 14 CYS HA 1 14 CYS HB2 . . 3.000 2.484 2.394 2.592 . 0 0 "[ . 1 . 2]" 2
9 1 14 CYS HA 1 14 CYS HB3 . . 3.000 3.038 3.021 3.046 0.046 7 0 "[ . 1 . 2]" 2
10 1 17 ARG H 1 17 ARG HB3 . . 4.000 2.613 2.509 2.743 . 0 0 "[ . 1 . 2]" 2
11 1 17 ARG H 1 17 ARG HB2 . . 3.000 3.089 2.960 3.203 0.203 6 0 "[ . 1 . 2]" 2
12 1 17 ARG HA 1 17 ARG HB3 . . 3.000 3.044 3.034 3.054 0.054 14 0 "[ . 1 . 2]" 2
13 1 18 PHE H 1 18 PHE HB3 . . 4.000 3.887 3.867 3.912 . 0 0 "[ . 1 . 2]" 2
14 1 18 PHE H 1 18 PHE HB2 . . 3.000 2.840 2.777 2.898 . 0 0 "[ . 1 . 2]" 2
15 1 18 PHE HA 1 18 PHE HB3 . . 3.000 2.406 2.371 2.439 . 0 0 "[ . 1 . 2]" 2
16 1 21 GLU H 1 21 GLU HB2 . . 4.000 3.013 2.175 3.616 . 0 0 "[ . 1 . 2]" 2
17 1 21 GLU H 1 21 GLU HB3 . . 3.000 2.694 2.387 3.100 0.100 16 0 "[ . 1 . 2]" 2
18 1 21 GLU HA 1 21 GLU HB2 . . 3.000 2.557 2.440 2.727 . 0 0 "[ . 1 . 2]" 2
19 1 26 VAL H 1 26 VAL MG1 . . 4.500 2.092 2.049 2.144 . 0 0 "[ . 1 . 2]" 2
20 1 27 HIS H 1 27 HIS HB3 . . 3.000 2.348 2.228 2.425 . 0 0 "[ . 1 . 2]" 2
21 1 27 HIS HA 1 27 HIS HB2 . . 3.000 2.431 2.364 2.491 . 0 0 "[ . 1 . 2]" 2
22 1 29 HIS H 1 29 HIS HB3 . . 3.000 2.516 2.180 2.716 . 0 0 "[ . 1 . 2]" 2
23 1 29 HIS H 1 29 HIS HB2 . . 4.000 2.468 2.290 2.756 . 0 0 "[ . 1 . 2]" 2
24 1 29 HIS HA 1 29 HIS HB2 . . 3.000 2.468 2.313 2.556 . 0 0 "[ . 1 . 2]" 2
25 1 27 HIS HB3 1 28 LYS HA . . 5.000 4.394 4.167 4.536 . 0 0 "[ . 1 . 2]" 2
26 1 27 HIS HB3 1 28 LYS QB . . 6.000 4.100 3.616 4.516 . 0 0 "[ . 1 . 2]" 2
27 1 27 HIS HB3 1 28 LYS QD . . 6.000 5.290 5.049 5.388 . 0 0 "[ . 1 . 2]" 2
28 1 28 LYS HA 1 31 HIS HB2 . . 5.000 2.795 2.511 3.152 . 0 0 "[ . 1 . 2]" 2
29 1 23 HIS HA 1 26 VAL MG1 . . 5.500 3.761 3.644 4.026 . 0 0 "[ . 1 . 2]" 2
30 1 23 HIS HA 1 26 VAL MG2 . . 6.500 2.199 2.126 2.347 . 0 0 "[ . 1 . 2]" 2
31 1 23 HIS HA 1 25 ALA MB . . 5.500 4.599 4.589 4.611 . 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 5
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 21.155
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0106
_Distance_constraint_stats_list.Viol_average_violations_only 0.0407
_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 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.708 0.074 13 0 "[ . 1 . 2]"
1 23 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 1.058 0.078 6 0 "[ . 1 . 2]"
1 27 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.350 0.078 6 0 "[ . 1 . 2]"
1 32 GLU 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 21 GLU O 1 25 ALA N . . 3.300 2.742 2.691 2.832 . 0 0 "[ . 1 . 2]" 3
2 1 22 ASP O 1 26 VAL N . . 3.300 3.325 3.225 3.374 0.074 13 0 "[ . 1 . 2]" 3
3 1 23 HIS O 1 27 HIS N . . 3.300 3.088 2.984 3.205 . 0 0 "[ . 1 . 2]" 3
4 1 26 VAL O 1 30 LYS N . . 3.300 3.190 2.889 3.378 0.078 6 0 "[ . 1 . 2]" 3
5 1 28 LYS O 1 32 GLU N . . 3.300 2.838 2.658 2.991 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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