NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
539212 |
2lcx   |
7205 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lcx
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 251
_Distance_constraint_stats_list.Viol_count 952
_Distance_constraint_stats_list.Viol_total 788.106
_Distance_constraint_stats_list.Viol_max 0.283
_Distance_constraint_stats_list.Viol_rms 0.0236
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0414
_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 THR 0.006 0.006 16 0 "[ . 1 . 2]"
1 3 LEU 2.297 0.283 18 0 "[ . 1 . 2]"
1 4 PRO 0.492 0.209 12 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 1.466 0.239 14 0 "[ . 1 . 2]"
1 8 ARG 0.785 0.239 14 0 "[ . 1 . 2]"
1 9 THR 3.578 0.230 19 0 "[ . 1 . 2]"
1 10 PRO 0.257 0.064 19 0 "[ . 1 . 2]"
1 11 LEU 0.099 0.025 17 0 "[ . 1 . 2]"
1 12 ILE 0.916 0.125 11 0 "[ . 1 . 2]"
1 13 ALA 2.471 0.135 19 0 "[ . 1 . 2]"
1 14 ALA 2.082 0.102 19 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 1.585 0.082 14 0 "[ . 1 . 2]"
1 17 ILE 4.538 0.102 19 0 "[ . 1 . 2]"
1 18 GLY 0.003 0.003 19 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 2.011 0.064 9 0 "[ . 1 . 2]"
1 21 PHE 0.825 0.049 11 0 "[ . 1 . 2]"
1 22 ILE 0.040 0.006 19 0 "[ . 1 . 2]"
1 23 LEU 1.131 0.042 19 0 "[ . 1 . 2]"
1 24 VAL 2.329 0.083 19 0 "[ . 1 . 2]"
1 25 ILE 3.004 0.095 12 0 "[ . 1 . 2]"
1 26 VAL 4.813 0.091 6 0 "[ . 1 . 2]"
1 27 GLY 1.812 0.091 6 0 "[ . 1 . 2]"
1 28 LEU 2.242 0.056 4 0 "[ . 1 . 2]"
1 29 THR 1.999 0.047 3 0 "[ . 1 . 2]"
1 30 PHE 0.771 0.032 11 0 "[ . 1 . 2]"
1 31 ALA 0.834 0.056 4 0 "[ . 1 . 2]"
1 32 VAL 1.558 0.047 3 0 "[ . 1 . 2]"
1 33 TYR 0.472 0.025 13 0 "[ . 1 . 2]"
1 34 VAL 3.819 0.119 13 0 "[ . 1 . 2]"
1 35 ARG 4.371 0.202 11 0 "[ . 1 . 2]"
1 36 ARG 0.136 0.025 13 0 "[ . 1 . 2]"
1 37 LYS 2.896 0.140 17 0 "[ . 1 . 2]"
1 38 SER 2.994 0.202 11 0 "[ . 1 . 2]"
1 39 ILE 2.843 0.136 19 0 "[ . 1 . 2]"
1 40 LYS 0.816 0.099 12 0 "[ . 1 . 2]"
1 41 LYS 0.939 0.099 12 0 "[ . 1 . 2]"
1 42 LYS 0.024 0.024 15 0 "[ . 1 . 2]"
1 43 ARG 0.198 0.106 20 0 "[ . 1 . 2]"
2 10 PRO 0.015 0.014 15 0 "[ . 1 . 2]"
2 11 LEU 0.132 0.025 17 0 "[ . 1 . 2]"
2 19 GLY 0.040 0.006 19 0 "[ . 1 . 2]"
2 23 LEU 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 29 THR HA 1 32 VAL H . . 4.080 3.643 3.608 3.710 . 0 0 "[ . 1 . 2]" 1
2 1 24 VAL HA 1 28 LEU H . . 3.820 3.854 3.849 3.861 0.041 4 0 "[ . 1 . 2]" 1
3 1 27 GLY HA3 1 28 LEU H . . 3.440 2.610 2.591 2.620 . 0 0 "[ . 1 . 2]" 1
4 1 23 LEU HB3 1 24 VAL H . . 3.910 3.565 3.488 3.592 . 0 0 "[ . 1 . 2]" 1
5 1 37 LYS H 1 37 LYS HB2 . . 3.110 2.130 2.114 2.138 . 0 0 "[ . 1 . 2]" 1
6 1 37 LYS H 1 37 LYS HG3 . . 3.760 3.754 3.684 3.900 0.140 17 0 "[ . 1 . 2]" 1
7 1 37 LYS H 1 37 LYS HB3 . . 3.210 3.250 3.122 3.313 0.103 4 0 "[ . 1 . 2]" 1
8 1 34 VAL HA 1 37 LYS H . . 4.330 3.622 3.611 3.655 . 0 0 "[ . 1 . 2]" 1
9 1 36 ARG H 1 37 LYS H . . 3.180 2.714 2.682 2.761 . 0 0 "[ . 1 . 2]" 1
10 1 36 ARG QB 1 37 LYS H . . 3.400 2.944 2.877 2.968 . 0 0 "[ . 1 . 2]" 1
11 1 28 LEU H 1 28 LEU HB3 . . 3.790 3.561 3.559 3.564 . 0 0 "[ . 1 . 2]" 1
12 1 31 ALA MB 1 32 VAL H . . 3.440 2.824 2.722 2.905 . 0 0 "[ . 1 . 2]" 1
13 1 28 LEU HA 1 32 VAL H . . 4.120 4.007 3.895 4.069 . 0 0 "[ . 1 . 2]" 1
14 1 32 VAL H 1 32 VAL HB . . 3.060 2.475 2.469 2.481 . 0 0 "[ . 1 . 2]" 1
15 1 35 ARG H 1 36 ARG H . . 3.110 2.783 2.749 2.816 . 0 0 "[ . 1 . 2]" 1
16 1 36 ARG H 1 36 ARG QB . . 2.840 2.391 2.347 2.520 . 0 0 "[ . 1 . 2]" 1
17 1 36 ARG H 1 36 ARG QG . . 3.430 2.329 2.252 2.434 . 0 0 "[ . 1 . 2]" 1
18 1 4 PRO HA 1 5 GLN H . . 2.970 2.610 2.289 2.713 . 0 0 "[ . 1 . 2]" 1
19 1 35 ARG H 1 35 ARG HB2 . . 3.320 2.406 2.377 2.454 . 0 0 "[ . 1 . 2]" 1
20 1 32 VAL HA 1 35 ARG H . . 4.030 3.480 3.418 3.547 . 0 0 "[ . 1 . 2]" 1
21 1 35 ARG H 1 35 ARG QG . . 3.680 2.444 2.340 2.517 . 0 0 "[ . 1 . 2]" 1
22 1 34 VAL HB 1 35 ARG H . . 3.370 2.499 2.461 2.525 . 0 0 "[ . 1 . 2]" 1
23 1 21 PHE HA 1 24 VAL H . . 3.820 3.387 3.358 3.422 . 0 0 "[ . 1 . 2]" 1
24 1 24 VAL H 1 24 VAL MG1 . . 3.680 3.763 3.762 3.763 0.083 19 0 "[ . 1 . 2]" 1
25 1 24 VAL H 1 24 VAL MG2 . . 3.180 2.214 2.180 2.280 . 0 0 "[ . 1 . 2]" 1
26 1 23 LEU HB2 1 24 VAL H . . 3.740 2.782 2.705 2.813 . 0 0 "[ . 1 . 2]" 1
27 1 24 VAL H 1 24 VAL HB . . 3.040 2.546 2.531 2.618 . 0 0 "[ . 1 . 2]" 1
28 1 39 ILE H 1 40 LYS H . . 3.450 3.246 2.655 3.463 0.013 13 0 "[ . 1 . 2]" 1
29 1 35 ARG HA 1 38 SER H . . 3.010 3.122 3.087 3.212 0.202 11 0 "[ . 1 . 2]" 1
30 1 2 THR HB 1 3 LEU H . . 3.760 3.277 2.041 3.766 0.006 16 0 "[ . 1 . 2]" 1
31 1 2 THR HA 1 3 LEU H . . 2.840 2.327 2.146 2.699 . 0 0 "[ . 1 . 2]" 1
32 1 41 LYS HA 1 42 LYS H . . 3.180 2.508 2.139 3.204 0.024 15 0 "[ . 1 . 2]" 1
33 1 42 LYS H 1 42 LYS QB . . 3.580 2.763 2.108 3.344 . 0 0 "[ . 1 . 2]" 1
34 1 42 LYS H 1 42 LYS QG . . 4.240 3.493 1.985 4.238 . 0 0 "[ . 1 . 2]" 1
35 1 39 ILE H 1 39 ILE MD . . 4.680 3.779 3.079 4.254 . 0 0 "[ . 1 . 2]" 1
36 1 38 SER HA 1 39 ILE H . . 3.050 2.398 2.150 2.747 . 0 0 "[ . 1 . 2]" 1
37 1 39 ILE H 1 39 ILE HG12 . . 3.350 3.180 2.028 3.486 0.136 19 0 "[ . 1 . 2]" 1
38 1 39 ILE H 1 41 LYS H . . 3.530 3.405 2.862 3.566 0.036 8 0 "[ . 1 . 2]" 1
39 1 39 ILE H 1 39 ILE HB . . 2.970 2.785 2.658 3.057 0.087 10 0 "[ . 1 . 2]" 1
40 1 39 ILE H 1 39 ILE HG13 . . 3.510 2.554 2.106 3.584 0.074 11 0 "[ . 1 . 2]" 1
41 1 39 ILE H 1 39 ILE HA . . 2.860 2.915 2.894 2.924 0.064 1 0 "[ . 1 . 2]" 1
42 1 42 LYS HA 1 43 ARG H . . 2.940 2.369 2.143 2.836 . 0 0 "[ . 1 . 2]" 1
43 1 43 ARG H 1 43 ARG HB2 . . 3.870 2.945 2.096 3.935 0.065 11 0 "[ . 1 . 2]" 1
44 1 43 ARG H 1 43 ARG HB3 . . 3.470 3.144 2.452 3.576 0.106 20 0 "[ . 1 . 2]" 1
45 1 43 ARG H 1 43 ARG QG . . 4.360 3.684 1.980 4.309 . 0 0 "[ . 1 . 2]" 1
46 1 37 LYS HB2 1 38 SER H . . 3.710 3.149 2.897 3.321 . 0 0 "[ . 1 . 2]" 1
47 1 37 LYS HB3 1 38 SER H . . 3.530 2.973 2.627 3.132 . 0 0 "[ . 1 . 2]" 1
48 1 37 LYS HA 1 38 SER H . . 3.560 3.527 3.500 3.565 0.005 11 0 "[ . 1 . 2]" 1
49 1 38 SER H 1 38 SER QB . . 2.840 2.468 2.093 2.888 0.048 13 0 "[ . 1 . 2]" 1
50 1 31 ALA H 1 31 ALA MB . . 2.780 2.230 2.212 2.233 . 0 0 "[ . 1 . 2]" 1
51 1 30 PHE QB 1 31 ALA H . . 3.260 2.374 2.286 2.477 . 0 0 "[ . 1 . 2]" 1
52 1 31 ALA H 1 32 VAL H . . 3.190 2.624 2.583 2.684 . 0 0 "[ . 1 . 2]" 1
53 1 28 LEU HA 1 31 ALA H . . 3.470 3.344 3.284 3.405 . 0 0 "[ . 1 . 2]" 1
54 1 40 LYS H 1 40 LYS QG . . 4.260 3.334 2.479 4.225 . 0 0 "[ . 1 . 2]" 1
55 1 39 ILE HA 1 40 LYS H . . 2.720 2.618 2.372 2.749 0.029 11 0 "[ . 1 . 2]" 1
56 1 41 LYS H 1 41 LYS QB . . 3.370 2.574 2.119 3.355 . 0 0 "[ . 1 . 2]" 1
57 1 40 LYS HA 1 41 LYS H . . 2.740 2.757 2.604 2.839 0.099 12 0 "[ . 1 . 2]" 1
58 1 41 LYS H 1 41 LYS QG . . 4.260 3.172 1.936 4.243 . 0 0 "[ . 1 . 2]" 1
59 1 3 LEU H 1 3 LEU HG . . 3.530 3.203 2.906 3.678 0.148 11 0 "[ . 1 . 2]" 1
60 1 3 LEU H 1 3 LEU HB3 . . 3.020 2.768 2.146 3.303 0.283 18 0 "[ . 1 . 2]" 1
61 1 30 PHE HA 1 34 VAL H . . 4.060 4.076 4.069 4.084 0.024 14 0 "[ . 1 . 2]" 1
62 1 31 ALA HA 1 34 VAL H . . 3.880 3.888 3.865 3.897 0.017 4 0 "[ . 1 . 2]" 1
63 1 29 THR HA 1 33 TYR H . . 4.040 3.824 3.749 3.878 . 0 0 "[ . 1 . 2]" 1
64 1 28 LEU HA 1 29 THR H . . 3.540 3.544 3.539 3.546 0.006 7 0 "[ . 1 . 2]" 1
65 1 29 THR H 1 29 THR HG1 . . 3.650 2.387 2.122 2.591 . 0 0 "[ . 1 . 2]" 1
66 1 26 VAL HA 1 27 GLY H . . 3.480 3.571 3.570 3.571 0.091 6 0 "[ . 1 . 2]" 1
67 1 23 LEU HA 1 27 GLY H . . 3.820 3.447 3.377 3.544 . 0 0 "[ . 1 . 2]" 1
68 1 26 VAL HB 1 27 GLY H . . 3.240 2.297 2.284 2.326 . 0 0 "[ . 1 . 2]" 1
69 1 18 GLY HA2 1 21 PHE H . . 4.050 3.919 3.884 3.943 . 0 0 "[ . 1 . 2]" 1
70 1 20 LEU HB3 1 21 PHE H . . 3.780 3.078 3.012 3.105 . 0 0 "[ . 1 . 2]" 1
71 1 20 LEU HB2 1 21 PHE H . . 3.520 2.318 2.273 2.337 . 0 0 "[ . 1 . 2]" 1
72 1 22 ILE H 1 22 ILE HB . . 3.070 2.491 2.452 2.503 . 0 0 "[ . 1 . 2]" 1
73 1 22 ILE H 1 22 ILE HG12 . . 3.340 2.182 2.159 2.256 . 0 0 "[ . 1 . 2]" 1
74 1 21 PHE QB 1 22 ILE H . . 3.240 2.258 2.198 2.338 . 0 0 "[ . 1 . 2]" 1
75 1 22 ILE H 1 22 ILE HG13 . . 4.030 3.578 3.568 3.616 . 0 0 "[ . 1 . 2]" 1
76 1 21 PHE H 1 22 ILE H . . 3.470 2.952 2.915 2.966 . 0 0 "[ . 1 . 2]" 1
77 1 23 LEU H 1 23 LEU HG . . 3.500 2.637 2.613 2.656 . 0 0 "[ . 1 . 2]" 1
78 1 22 ILE HB 1 23 LEU H . . 3.290 2.596 2.561 2.628 . 0 0 "[ . 1 . 2]" 1
79 1 20 LEU HA 1 23 LEU H . . 3.630 3.655 3.648 3.672 0.042 19 0 "[ . 1 . 2]" 1
80 1 23 LEU H 1 23 LEU HB3 . . 3.750 3.551 3.550 3.552 . 0 0 "[ . 1 . 2]" 1
81 1 23 LEU H 1 23 LEU HB2 . . 3.210 2.299 2.295 2.305 . 0 0 "[ . 1 . 2]" 1
82 1 29 THR H 1 29 THR HB . . 2.740 2.517 2.513 2.522 . 0 0 "[ . 1 . 2]" 1
83 1 29 THR H 1 29 THR MG . . 3.910 3.765 3.764 3.766 . 0 0 "[ . 1 . 2]" 1
84 1 28 LEU H 1 29 THR H . . 3.130 2.763 2.749 2.781 . 0 0 "[ . 1 . 2]" 1
85 1 28 LEU HB3 1 29 THR H . . 3.700 3.407 3.389 3.440 . 0 0 "[ . 1 . 2]" 1
86 1 26 VAL HA 1 29 THR H . . 3.750 3.709 3.678 3.735 . 0 0 "[ . 1 . 2]" 1
87 1 28 LEU HB2 1 29 THR H . . 3.460 2.602 2.584 2.633 . 0 0 "[ . 1 . 2]" 1
88 1 26 VAL MG2 1 27 GLY H . . 4.070 3.653 3.637 3.734 . 0 0 "[ . 1 . 2]" 1
89 1 26 VAL MG1 1 27 GLY H . . 3.530 3.345 3.266 3.369 . 0 0 "[ . 1 . 2]" 1
90 1 33 TYR HB3 1 34 VAL H . . 3.430 2.566 2.451 2.593 . 0 0 "[ . 1 . 2]" 1
91 1 33 TYR HB2 1 34 VAL H . . 3.740 3.747 3.737 3.754 0.014 14 0 "[ . 1 . 2]" 1
92 1 34 VAL H 1 35 ARG H . . 3.130 2.678 2.665 2.747 . 0 0 "[ . 1 . 2]" 1
93 1 33 TYR HA 1 34 VAL H . . 3.530 3.539 3.536 3.553 0.023 12 0 "[ . 1 . 2]" 1
94 1 34 VAL H 1 34 VAL HB . . 3.260 2.483 2.457 2.515 . 0 0 "[ . 1 . 2]" 1
95 1 12 ILE H 1 12 ILE HG12 . . 3.720 2.795 1.903 3.119 . 0 0 "[ . 1 . 2]" 1
96 1 12 ILE H 1 12 ILE HG13 . . 3.290 2.300 1.912 3.415 0.125 11 0 "[ . 1 . 2]" 1
97 1 12 ILE H 1 12 ILE HB . . 3.100 2.646 2.634 2.678 . 0 0 "[ . 1 . 2]" 1
98 1 33 TYR H 1 33 TYR HB3 . . 3.130 2.727 2.649 2.747 . 0 0 "[ . 1 . 2]" 1
99 1 33 TYR H 1 34 VAL H . . 3.330 2.769 2.733 2.822 . 0 0 "[ . 1 . 2]" 1
100 1 33 TYR H 1 33 TYR HB2 . . 3.120 2.346 2.331 2.414 . 0 0 "[ . 1 . 2]" 1
101 1 30 PHE HA 1 33 TYR H . . 3.570 3.509 3.391 3.574 0.004 17 0 "[ . 1 . 2]" 1
102 1 32 VAL HB 1 33 TYR H . . 3.280 2.504 2.426 2.635 . 0 0 "[ . 1 . 2]" 1
103 1 20 LEU H 1 20 LEU HB3 . . 3.740 3.554 3.552 3.555 . 0 0 "[ . 1 . 2]" 1
104 1 20 LEU H 1 20 LEU HB2 . . 3.010 2.304 2.299 2.308 . 0 0 "[ . 1 . 2]" 1
105 1 17 ILE HA 1 20 LEU H . . 3.640 3.697 3.686 3.704 0.064 9 0 "[ . 1 . 2]" 1
106 1 13 ALA MB 1 14 ALA H . . 2.870 2.139 2.122 2.184 . 0 0 "[ . 1 . 2]" 1
107 1 14 ALA H 1 14 ALA MB . . 3.170 2.053 2.027 2.147 . 0 0 "[ . 1 . 2]" 1
108 1 25 ILE H 1 25 ILE HG13 . . 3.200 2.341 2.287 2.356 . 0 0 "[ . 1 . 2]" 1
109 1 25 ILE H 1 25 ILE HB . . 3.000 2.594 2.585 2.602 . 0 0 "[ . 1 . 2]" 1
110 1 22 ILE HA 1 25 ILE H . . 3.800 3.726 3.715 3.751 . 0 0 "[ . 1 . 2]" 1
111 1 25 ILE H 1 25 ILE HG12 . . 3.720 3.738 3.720 3.743 0.023 5 0 "[ . 1 . 2]" 1
112 1 25 ILE H 1 26 VAL H . . 3.160 2.794 2.769 2.836 . 0 0 "[ . 1 . 2]" 1
113 1 24 VAL H 1 25 ILE H . . 3.160 2.785 2.757 2.840 . 0 0 "[ . 1 . 2]" 1
114 1 25 ILE H 1 25 ILE MD . . 3.780 2.382 2.354 2.571 . 0 0 "[ . 1 . 2]" 1
115 1 24 VAL HB 1 25 ILE H . . 3.210 2.491 2.429 2.524 . 0 0 "[ . 1 . 2]" 1
116 1 21 PHE H 1 21 PHE QB . . 2.800 2.242 2.208 2.254 . 0 0 "[ . 1 . 2]" 1
117 1 7 ALA MB 1 8 ARG H . . 3.880 3.294 2.640 3.717 . 0 0 "[ . 1 . 2]" 1
118 1 8 ARG H 1 8 ARG HG3 . . 4.320 3.220 2.236 4.227 . 0 0 "[ . 1 . 2]" 1
119 1 7 ALA HA 1 8 ARG H . . 3.280 2.472 2.142 3.519 0.239 14 0 "[ . 1 . 2]" 1
120 1 8 ARG H 1 8 ARG HG2 . . 4.070 3.270 1.892 3.969 . 0 0 "[ . 1 . 2]" 1
121 1 8 ARG H 1 8 ARG QB . . 3.280 2.319 2.057 2.800 . 0 0 "[ . 1 . 2]" 1
122 1 26 VAL H 1 26 VAL MG2 . . 3.160 2.047 1.955 2.080 . 0 0 "[ . 1 . 2]" 1
123 1 25 ILE HB 1 26 VAL H . . 3.350 2.227 2.214 2.242 . 0 0 "[ . 1 . 2]" 1
124 1 23 LEU HA 1 26 VAL H . . 3.630 3.662 3.653 3.669 0.039 11 0 "[ . 1 . 2]" 1
125 1 26 VAL H 1 26 VAL MG1 . . 3.680 3.757 3.756 3.764 0.084 3 0 "[ . 1 . 2]" 1
126 1 26 VAL H 1 26 VAL HB . . 2.920 2.671 2.582 2.687 . 0 0 "[ . 1 . 2]" 1
127 1 29 THR MG 1 30 PHE H . . 3.610 3.426 3.361 3.501 . 0 0 "[ . 1 . 2]" 1
128 1 30 PHE H 1 30 PHE QB . . 2.840 2.262 2.245 2.271 . 0 0 "[ . 1 . 2]" 1
129 1 29 THR H 1 30 PHE H . . 3.310 2.801 2.794 2.815 . 0 0 "[ . 1 . 2]" 1
130 1 29 THR HA 1 30 PHE H . . 3.500 3.522 3.517 3.532 0.032 11 0 "[ . 1 . 2]" 1
131 1 17 ILE HB 1 18 GLY H . . 3.270 2.473 2.428 2.524 . 0 0 "[ . 1 . 2]" 1
132 1 14 ALA HA 1 18 GLY H . . 3.760 3.613 3.483 3.763 0.003 19 0 "[ . 1 . 2]" 1
133 1 10 PRO HA 1 13 ALA H . . 3.910 3.854 3.802 3.918 0.008 15 0 "[ . 1 . 2]" 1
134 1 11 LEU H 1 12 ILE H . . 3.530 3.103 3.070 3.120 . 0 0 "[ . 1 . 2]" 1
135 1 14 ALA MB 1 15 GLY H . . 3.220 2.818 2.719 2.857 . 0 0 "[ . 1 . 2]" 1
136 1 6 HIS H 1 6 HIS HB2 . . 4.170 3.108 2.188 3.812 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLY H 1 19 GLY H . . 3.280 2.891 2.875 2.907 . 0 0 "[ . 1 . 2]" 1
138 1 19 GLY H 1 19 GLY QA . . 2.710 2.193 2.192 2.194 . 0 0 "[ . 1 . 2]" 1
139 1 7 ALA H 1 7 ALA MB . . 3.220 2.535 2.079 2.878 . 0 0 "[ . 1 . 2]" 1
140 1 12 ILE H 1 13 ALA H . . 3.180 2.824 2.787 2.877 . 0 0 "[ . 1 . 2]" 1
141 1 18 GLY H 1 18 GLY HA3 . . 2.910 2.295 2.294 2.296 . 0 0 "[ . 1 . 2]" 1
142 1 14 ALA H 1 15 GLY H . . 3.120 2.788 2.767 2.828 . 0 0 "[ . 1 . 2]" 1
143 1 12 ILE HB 1 13 ALA H . . 3.300 2.474 2.434 2.513 . 0 0 "[ . 1 . 2]" 1
144 1 13 ALA H 1 13 ALA MB . . 3.000 2.234 2.229 2.237 . 0 0 "[ . 1 . 2]" 1
145 1 9 THR H 1 10 PRO QD . . 3.370 2.645 2.198 3.273 . 0 0 "[ . 1 . 2]" 1
146 1 8 ARG QB 1 9 THR H . . 3.680 2.958 1.993 3.902 0.222 13 0 "[ . 1 . 2]" 1
147 1 9 THR H 1 9 THR MG . . 3.830 3.927 3.871 4.060 0.230 19 0 "[ . 1 . 2]" 1
148 1 16 VAL HB 1 17 ILE H . . 3.320 2.703 2.665 2.735 . 0 0 "[ . 1 . 2]" 1
149 1 17 ILE H 1 17 ILE HB . . 2.970 2.466 2.443 2.476 . 0 0 "[ . 1 . 2]" 1
150 1 14 ALA HA 1 17 ILE H . . 3.570 3.555 3.532 3.588 0.018 15 0 "[ . 1 . 2]" 1
151 1 17 ILE H 1 18 GLY H . . 3.390 2.710 2.692 2.741 . 0 0 "[ . 1 . 2]" 1
152 1 17 ILE H 1 17 ILE HG13 . . 3.400 2.237 2.210 2.280 . 0 0 "[ . 1 . 2]" 1
153 1 17 ILE H 1 17 ILE HG12 . . 3.510 3.510 3.488 3.531 0.021 19 0 "[ . 1 . 2]" 1
154 1 16 VAL H 1 16 VAL HB . . 3.200 2.653 2.625 2.661 . 0 0 "[ . 1 . 2]" 1
155 1 16 VAL H 1 16 VAL MG1 . . 3.750 3.761 3.760 3.765 0.015 11 0 "[ . 1 . 2]" 1
156 1 13 ALA HA 1 16 VAL H . . 3.710 3.778 3.747 3.792 0.082 14 0 "[ . 1 . 2]" 1
157 1 16 VAL H 1 16 VAL MG2 . . 3.170 2.104 1.961 2.189 . 0 0 "[ . 1 . 2]" 1
158 1 33 TYR HA 1 36 ARG QB . . 3.220 3.215 3.176 3.245 0.025 13 0 "[ . 1 . 2]" 1
159 1 34 VAL MG1 1 35 ARG QG . . 3.570 3.633 3.615 3.667 0.097 3 0 "[ . 1 . 2]" 1
160 1 34 VAL MG1 1 37 LYS QD . . 3.520 3.583 3.555 3.639 0.119 13 0 "[ . 1 . 2]" 1
161 1 34 VAL HA 1 34 VAL MG2 . . 2.910 2.274 2.254 2.285 . 0 0 "[ . 1 . 2]" 1
162 1 32 VAL MG1 1 36 ARG QG . . 3.590 2.911 2.729 3.105 . 0 0 "[ . 1 . 2]" 1
163 1 32 VAL MG1 1 35 ARG HB2 . . 3.620 3.488 3.367 3.578 . 0 0 "[ . 1 . 2]" 1
164 1 32 VAL MG1 1 36 ARG QD . . 3.400 3.113 2.667 3.407 0.007 13 0 "[ . 1 . 2]" 1
165 1 29 THR HA 1 32 VAL MG1 . . 3.980 4.013 4.003 4.027 0.047 3 0 "[ . 1 . 2]" 1
166 1 32 VAL MG1 1 33 TYR HA . . 3.770 3.489 3.445 3.545 . 0 0 "[ . 1 . 2]" 1
167 1 32 VAL HA 1 32 VAL MG1 . . 3.100 2.330 2.324 2.338 . 0 0 "[ . 1 . 2]" 1
168 1 16 VAL HA 1 16 VAL MG2 . . 2.970 2.390 2.362 2.422 . 0 0 "[ . 1 . 2]" 1
169 1 32 VAL HA 1 32 VAL MG2 . . 2.900 2.308 2.304 2.312 . 0 0 "[ . 1 . 2]" 1
170 1 29 THR HA 1 29 THR MG . . 3.070 2.430 2.399 2.444 . 0 0 "[ . 1 . 2]" 1
171 1 2 THR HA 1 2 THR MG . . 3.230 2.586 2.190 3.207 . 0 0 "[ . 1 . 2]" 1
172 1 9 THR HA 1 9 THR MG . . 2.940 2.305 2.137 2.384 . 0 0 "[ . 1 . 2]" 1
173 1 21 PHE HA 1 24 VAL HB . . 4.380 2.753 2.724 2.869 . 0 0 "[ . 1 . 2]" 1
174 1 26 VAL HA 1 29 THR MG . . 3.760 3.801 3.790 3.807 0.047 9 0 "[ . 1 . 2]" 1
175 1 17 ILE HA 1 20 LEU HB3 . . 4.380 4.399 4.393 4.408 0.028 19 0 "[ . 1 . 2]" 1
176 1 21 PHE HA 1 24 VAL MG2 . . 3.490 2.129 2.051 2.179 . 0 0 "[ . 1 . 2]" 1
177 1 25 ILE HG13 1 25 ILE MG . . 2.860 2.945 2.939 2.955 0.095 12 0 "[ . 1 . 2]" 1
178 1 23 LEU HA 1 26 VAL HB . . 4.190 2.823 2.759 2.849 . 0 0 "[ . 1 . 2]" 1
179 1 28 LEU HB2 1 32 VAL MG2 . . 3.950 3.982 3.975 3.989 0.039 11 0 "[ . 1 . 2]" 1
180 1 31 ALA MB 1 32 VAL MG2 . . 3.650 3.128 3.093 3.180 . 0 0 "[ . 1 . 2]" 1
181 1 28 LEU HB3 1 32 VAL MG2 . . 3.650 2.680 2.649 2.703 . 0 0 "[ . 1 . 2]" 1
182 1 29 THR HA 1 32 VAL MG2 . . 3.590 3.066 2.991 3.187 . 0 0 "[ . 1 . 2]" 1
183 1 17 ILE HA 1 17 ILE MD . . 3.810 3.815 3.798 3.819 0.009 15 0 "[ . 1 . 2]" 1
184 1 13 ALA MB 1 17 ILE MD . . 3.410 2.560 2.450 2.675 . 0 0 "[ . 1 . 2]" 1
185 1 14 ALA HA 1 17 ILE MD . . 3.530 2.657 2.523 2.837 . 0 0 "[ . 1 . 2]" 1
186 1 17 ILE HB 1 17 ILE MD . . 3.150 2.334 2.310 2.381 . 0 0 "[ . 1 . 2]" 1
187 1 32 VAL HA 1 35 ARG HB2 . . 4.210 2.661 2.643 2.697 . 0 0 "[ . 1 . 2]" 1
188 1 32 VAL HA 1 35 ARG HB3 . . 4.230 4.243 4.232 4.253 0.023 19 0 "[ . 1 . 2]" 1
189 1 9 THR MG 1 10 PRO QD . . 3.690 3.630 3.508 3.694 0.004 19 0 "[ . 1 . 2]" 1
190 1 22 ILE HA 1 22 ILE MG . . 3.440 2.443 2.424 2.468 . 0 0 "[ . 1 . 2]" 1
191 1 22 ILE HG12 1 22 ILE MG . . 3.410 3.200 3.198 3.201 . 0 0 "[ . 1 . 2]" 1
192 1 3 LEU MD1 1 7 ALA MB . . 3.200 2.775 1.726 3.329 0.129 19 0 "[ . 1 . 2]" 1
193 1 4 PRO HD3 1 7 ALA MB . . 3.800 3.768 3.300 4.009 0.209 12 0 "[ . 1 . 2]" 1
194 1 31 ALA HA 1 34 VAL HB . . 4.030 3.221 3.129 3.354 . 0 0 "[ . 1 . 2]" 1
195 1 13 ALA HA 1 16 VAL MG2 . . 3.630 3.405 3.276 3.480 . 0 0 "[ . 1 . 2]" 1
196 1 17 ILE HG12 1 17 ILE MG . . 3.200 2.365 2.344 2.407 . 0 0 "[ . 1 . 2]" 1
197 1 17 ILE HA 1 17 ILE MG . . 3.180 2.398 2.377 2.446 . 0 0 "[ . 1 . 2]" 1
198 1 17 ILE HG13 1 17 ILE MG . . 3.340 3.192 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
199 1 17 ILE MG 1 21 PHE QR . . 3.960 4.001 3.992 4.009 0.049 11 0 "[ . 1 . 2]" 1
200 1 14 ALA HA 1 17 ILE MG . . 3.590 3.665 3.627 3.692 0.102 19 0 "[ . 1 . 2]" 1
201 1 25 ILE HA 1 28 LEU HB3 . . 4.650 4.661 4.654 4.667 0.017 2 0 "[ . 1 . 2]" 1
202 1 25 ILE HA 1 25 ILE MG . . 3.220 2.384 2.359 2.389 . 0 0 "[ . 1 . 2]" 1
203 1 25 ILE MG 1 26 VAL HA . . 3.620 3.392 3.333 3.568 . 0 0 "[ . 1 . 2]" 1
204 1 25 ILE HG12 1 25 ILE MG . . 3.440 2.128 1.942 2.144 . 0 0 "[ . 1 . 2]" 1
205 1 26 VAL HA 1 29 THR HB . . 4.380 2.588 2.571 2.606 . 0 0 "[ . 1 . 2]" 1
206 1 33 TYR HB3 1 34 VAL MG2 . . 3.750 3.189 3.159 3.229 . 0 0 "[ . 1 . 2]" 1
207 1 31 ALA HA 1 34 VAL MG2 . . 3.310 3.296 3.240 3.321 0.011 11 0 "[ . 1 . 2]" 1
208 1 30 PHE QD 1 34 VAL MG2 . . 3.340 3.110 2.714 3.289 . 0 0 "[ . 1 . 2]" 1
209 1 30 PHE HA 1 34 VAL MG2 . . 4.120 3.843 3.801 3.914 . 0 0 "[ . 1 . 2]" 1
210 1 30 PHE QE 1 34 VAL MG2 . . 3.670 2.866 2.586 3.099 . 0 0 "[ . 1 . 2]" 1
211 1 3 LEU HA 1 4 PRO HD3 . . 3.050 2.329 2.308 2.364 . 0 0 "[ . 1 . 2]" 1
212 1 34 VAL HA 1 37 LYS HB3 . . 4.600 4.622 4.580 4.652 0.052 11 0 "[ . 1 . 2]" 1
213 1 22 ILE HA 1 22 ILE MD . . 3.840 1.994 1.968 2.045 . 0 0 "[ . 1 . 2]" 1
214 1 7 ALA HA 1 10 PRO QD . . 3.860 3.717 3.263 3.924 0.064 19 0 "[ . 1 . 2]" 1
215 1 35 ARG HA 1 38 SER QB . . 3.700 3.166 2.572 3.811 0.111 13 0 "[ . 1 . 2]" 1
216 1 10 PRO HA 1 13 ALA MB . . 3.400 2.360 2.282 2.448 . 0 0 "[ . 1 . 2]" 1
217 1 11 LEU HA 1 14 ALA MB . . 3.380 3.289 3.136 3.356 . 0 0 "[ . 1 . 2]" 1
218 1 14 ALA MB 1 17 ILE HB . . 3.890 3.916 3.897 3.959 0.069 15 0 "[ . 1 . 2]" 1
219 1 27 GLY HA3 1 30 PHE QB . . 4.780 4.528 4.472 4.600 . 0 0 "[ . 1 . 2]" 1
220 1 17 ILE MG 1 21 PHE QB . . 3.500 2.741 2.641 2.896 . 0 0 "[ . 1 . 2]" 1
221 1 18 GLY HA2 1 21 PHE QB . . 4.000 2.920 2.872 2.988 . 0 0 "[ . 1 . 2]" 1
222 1 21 PHE QR 1 25 ILE MD . . 3.600 2.601 2.273 2.814 . 0 0 "[ . 1 . 2]" 1
223 1 25 ILE HA 1 25 ILE MD . . 3.840 3.759 3.743 3.796 . 0 0 "[ . 1 . 2]" 1
224 1 25 ILE MD 1 25 ILE MG . . 2.800 2.836 2.820 2.865 0.065 12 0 "[ . 1 . 2]" 1
225 1 22 ILE HA 1 25 ILE MD . . 3.780 1.954 1.950 1.961 . 0 0 "[ . 1 . 2]" 1
226 1 25 ILE HB 1 25 ILE MD . . 3.500 2.126 2.011 2.142 . 0 0 "[ . 1 . 2]" 1
227 1 23 LEU HA 1 26 VAL MG2 . . 3.560 3.002 2.882 3.379 . 0 0 "[ . 1 . 2]" 1
228 1 13 ALA HA 1 16 VAL HB . . 4.220 3.718 3.556 3.766 . 0 0 "[ . 1 . 2]" 1
229 1 29 THR HA 1 32 VAL HB . . 4.050 2.720 2.697 2.759 . 0 0 "[ . 1 . 2]" 1
230 1 12 ILE HA 1 12 ILE MD . . 3.960 3.397 2.104 3.830 . 0 0 "[ . 1 . 2]" 1
231 1 12 ILE HB 1 12 ILE MD . . 3.150 2.588 2.362 3.213 0.063 18 0 "[ . 1 . 2]" 1
232 1 28 LEU HA 1 31 ALA MB . . 3.240 2.636 2.556 2.665 . 0 0 "[ . 1 . 2]" 1
233 1 30 PHE HA 1 33 TYR HB2 . . 4.440 3.458 3.244 3.557 . 0 0 "[ . 1 . 2]" 1
234 1 28 LEU MD2 1 31 ALA MB . . 3.060 3.091 3.081 3.116 0.056 4 0 "[ . 1 . 2]" 1
235 1 14 ALA HA 1 17 ILE HB . . 4.070 2.377 2.361 2.406 . 0 0 "[ . 1 . 2]" 1
236 1 33 TYR QE 1 37 LYS QE . . 4.300 3.510 2.675 4.304 0.004 4 0 "[ . 1 . 2]" 1
237 1 9 THR HA 1 10 PRO QD . . 3.000 2.102 2.013 2.208 . 0 0 "[ . 1 . 2]" 1
238 1 9 THR MG 1 13 ALA MB . . 3.500 3.555 3.508 3.635 0.135 19 0 "[ . 1 . 2]" 1
239 1 9 THR MG 1 12 ILE HB . . 3.500 1.871 1.842 1.898 . 0 0 "[ . 1 . 2]" 1
240 1 9 THR MG 1 12 ILE MG . . 3.500 3.052 2.787 3.141 . 0 0 "[ . 1 . 2]" 1
241 1 9 THR H 1 9 THR HB . . 4.100 3.289 2.678 3.767 . 0 0 "[ . 1 . 2]" 1
242 1 28 LEU H 1 28 LEU HB2 . . 2.960 2.342 2.335 2.352 . 0 0 "[ . 1 . 2]" 1
243 1 29 THR HB 1 30 PHE H . . 3.170 2.739 2.681 2.774 . 0 0 "[ . 1 . 2]" 1
244 1 22 ILE MG 2 19 GLY HA2 . . 3.000 2.925 2.780 3.006 0.006 19 0 "[ . 1 . 2]" 1
245 1 22 ILE MG 2 19 GLY HA3 . . 3.000 3.001 2.997 3.006 0.006 17 0 "[ . 1 . 2]" 1
246 1 22 ILE MG 2 23 LEU HG . . 3.000 2.272 2.061 2.454 . 0 0 "[ . 1 . 2]" 1
247 1 14 ALA MB 2 11 LEU MD1 . . 2.500 1.813 1.720 2.427 . 0 0 "[ . 1 . 2]" 1
248 1 14 ALA MB 2 11 LEU HA . . 3.000 3.001 2.993 3.009 0.009 15 0 "[ . 1 . 2]" 1
249 1 11 LEU MD1 2 11 LEU HA . . 3.000 2.999 2.973 3.025 0.025 17 0 "[ . 1 . 2]" 1
250 1 11 LEU MD1 2 10 PRO HB2 . . 3.000 1.915 1.872 1.940 . 0 0 "[ . 1 . 2]" 1
251 1 11 LEU MD1 2 10 PRO HA . . 3.000 2.894 2.811 3.014 0.014 15 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 70
_Distance_constraint_stats_list.Viol_count 186
_Distance_constraint_stats_list.Viol_total 43.530
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0117
_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 9 THR 0.678 0.041 19 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.282 0.023 14 0 "[ . 1 . 2]"
1 12 ILE 0.044 0.013 15 0 "[ . 1 . 2]"
1 13 ALA 0.678 0.041 19 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.709 0.028 14 0 "[ . 1 . 2]"
1 16 VAL 0.108 0.013 15 0 "[ . 1 . 2]"
1 17 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.658 0.028 14 0 "[ . 1 . 2]"
1 20 LEU 0.064 0.008 12 0 "[ . 1 . 2]"
1 21 PHE 0.040 0.005 11 0 "[ . 1 . 2]"
1 22 ILE 0.141 0.011 19 0 "[ . 1 . 2]"
1 23 LEU 0.231 0.014 2 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.040 0.005 11 0 "[ . 1 . 2]"
1 26 VAL 0.250 0.011 19 0 "[ . 1 . 2]"
1 27 GLY 0.161 0.011 12 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.109 0.010 4 0 "[ . 1 . 2]"
1 31 ALA 0.161 0.011 12 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 THR 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 9 THR O 1 13 ALA H . . 2.200 2.234 2.226 2.241 0.041 19 0 "[ . 1 . 2]" 2
2 1 9 THR C 1 13 ALA H . . 3.500 3.229 3.164 3.253 . 0 0 "[ . 1 . 2]" 2
3 1 9 THR O 1 13 ALA N . . 3.300 3.103 3.085 3.120 . 0 0 "[ . 1 . 2]" 2
4 1 10 PRO O 1 14 ALA H . . 2.200 1.807 1.785 1.982 . 0 0 "[ . 1 . 2]" 2
5 1 10 PRO C 1 14 ALA H . . 3.500 2.955 2.896 3.171 . 0 0 "[ . 1 . 2]" 2
6 1 10 PRO O 1 14 ALA N . . 3.300 2.769 2.746 2.960 . 0 0 "[ . 1 . 2]" 2
7 1 11 LEU O 1 15 GLY H . . 2.200 2.214 2.206 2.223 0.023 14 0 "[ . 1 . 2]" 2
8 1 11 LEU C 1 15 GLY H . . 3.500 3.315 3.301 3.354 . 0 0 "[ . 1 . 2]" 2
9 1 11 LEU O 1 15 GLY N . . 3.300 3.087 3.059 3.144 . 0 0 "[ . 1 . 2]" 2
10 1 12 ILE O 1 16 VAL H . . 2.200 2.189 2.070 2.213 0.013 15 0 "[ . 1 . 2]" 2
11 1 12 ILE C 1 16 VAL H . . 3.500 3.395 3.285 3.416 . 0 0 "[ . 1 . 2]" 2
12 1 12 ILE O 1 16 VAL N . . 3.300 3.136 3.025 3.159 . 0 0 "[ . 1 . 2]" 2
13 1 13 ALA O 1 17 ILE H . . 2.200 1.992 1.926 2.028 . 0 0 "[ . 1 . 2]" 2
14 1 13 ALA C 1 17 ILE H . . 3.500 3.186 3.130 3.219 . 0 0 "[ . 1 . 2]" 2
15 1 13 ALA O 1 17 ILE N . . 3.300 2.951 2.887 2.989 . 0 0 "[ . 1 . 2]" 2
16 1 14 ALA O 1 18 GLY H . . 2.200 1.792 1.782 1.837 . 0 0 "[ . 1 . 2]" 2
17 1 14 ALA C 1 18 GLY H . . 3.500 2.893 2.853 2.982 . 0 0 "[ . 1 . 2]" 2
18 1 14 ALA O 1 18 GLY N . . 3.300 2.740 2.731 2.797 . 0 0 "[ . 1 . 2]" 2
19 1 15 GLY O 1 19 GLY H . . 2.200 2.221 2.215 2.228 0.028 14 0 "[ . 1 . 2]" 2
20 1 15 GLY C 1 19 GLY H . . 3.500 3.377 3.362 3.386 . 0 0 "[ . 1 . 2]" 2
21 1 15 GLY O 1 19 GLY N . . 3.300 3.200 3.194 3.207 . 0 0 "[ . 1 . 2]" 2
22 1 16 VAL O 1 20 LEU H . . 2.200 2.202 2.182 2.208 0.008 12 0 "[ . 1 . 2]" 2
23 1 16 VAL C 1 20 LEU H . . 3.500 3.252 3.233 3.279 . 0 0 "[ . 1 . 2]" 2
24 1 16 VAL O 1 20 LEU N . . 3.300 3.124 3.097 3.133 . 0 0 "[ . 1 . 2]" 2
25 1 17 ILE O 1 21 PHE H . . 2.200 1.812 1.797 1.866 . 0 0 "[ . 1 . 2]" 2
26 1 17 ILE C 1 21 PHE H . . 3.500 3.011 2.993 3.070 . 0 0 "[ . 1 . 2]" 2
27 1 17 ILE O 1 21 PHE N . . 3.300 2.762 2.744 2.812 . 0 0 "[ . 1 . 2]" 2
28 1 18 GLY O 1 22 ILE H . . 2.200 1.888 1.846 1.915 . 0 0 "[ . 1 . 2]" 2
29 1 18 GLY C 1 22 ILE H . . 3.500 3.032 2.987 3.054 . 0 0 "[ . 1 . 2]" 2
30 1 18 GLY O 1 22 ILE N . . 3.300 2.815 2.766 2.843 . 0 0 "[ . 1 . 2]" 2
31 1 19 GLY O 1 23 LEU H . . 2.200 2.212 2.207 2.214 0.014 2 0 "[ . 1 . 2]" 2
32 1 19 GLY C 1 23 LEU H . . 3.500 3.147 3.122 3.159 . 0 0 "[ . 1 . 2]" 2
33 1 19 GLY O 1 23 LEU N . . 3.300 3.085 3.076 3.095 . 0 0 "[ . 1 . 2]" 2
34 1 20 LEU O 1 24 VAL H . . 2.200 1.876 1.860 1.920 . 0 0 "[ . 1 . 2]" 2
35 1 20 LEU C 1 24 VAL H . . 3.500 3.029 3.016 3.068 . 0 0 "[ . 1 . 2]" 2
36 1 20 LEU O 1 24 VAL N . . 3.300 2.760 2.748 2.800 . 0 0 "[ . 1 . 2]" 2
37 1 21 PHE O 1 25 ILE H . . 2.200 2.201 2.190 2.205 0.005 11 0 "[ . 1 . 2]" 2
38 1 21 PHE C 1 25 ILE H . . 3.500 3.395 3.382 3.401 . 0 0 "[ . 1 . 2]" 2
39 1 21 PHE O 1 25 ILE N . . 3.300 3.135 3.121 3.146 . 0 0 "[ . 1 . 2]" 2
40 1 22 ILE O 1 26 VAL H . . 2.200 2.207 2.204 2.211 0.011 19 0 "[ . 1 . 2]" 2
41 1 22 ILE C 1 26 VAL H . . 3.500 3.373 3.361 3.383 . 0 0 "[ . 1 . 2]" 2
42 1 22 ILE O 1 26 VAL N . . 3.300 3.179 3.174 3.184 . 0 0 "[ . 1 . 2]" 2
43 1 23 LEU O 1 27 GLY H . . 2.200 1.816 1.794 1.829 . 0 0 "[ . 1 . 2]" 2
44 1 23 LEU C 1 27 GLY H . . 3.500 2.932 2.917 2.959 . 0 0 "[ . 1 . 2]" 2
45 1 23 LEU O 1 27 GLY N . . 3.300 2.740 2.736 2.745 . 0 0 "[ . 1 . 2]" 2
46 1 24 VAL O 1 28 LEU H . . 2.200 2.128 2.065 2.174 . 0 0 "[ . 1 . 2]" 2
47 1 24 VAL C 1 28 LEU H . . 3.500 3.172 3.157 3.179 . 0 0 "[ . 1 . 2]" 2
48 1 24 VAL O 1 28 LEU N . . 3.300 3.074 3.021 3.113 . 0 0 "[ . 1 . 2]" 2
49 1 27 GLY O 1 31 ALA H . . 2.200 2.208 2.206 2.211 0.011 12 0 "[ . 1 . 2]" 2
50 1 27 GLY C 1 31 ALA H . . 3.500 3.362 3.343 3.379 . 0 0 "[ . 1 . 2]" 2
51 1 27 GLY O 1 31 ALA N . . 3.300 3.170 3.162 3.180 . 0 0 "[ . 1 . 2]" 2
52 1 28 LEU O 1 32 VAL H . . 2.200 1.861 1.809 1.897 . 0 0 "[ . 1 . 2]" 2
53 1 28 LEU C 1 32 VAL H . . 3.500 3.038 2.997 3.069 . 0 0 "[ . 1 . 2]" 2
54 1 28 LEU O 1 32 VAL N . . 3.300 2.718 2.712 2.723 . 0 0 "[ . 1 . 2]" 2
55 1 29 THR O 1 33 TYR H . . 2.200 1.939 1.874 1.998 . 0 0 "[ . 1 . 2]" 2
56 1 29 THR C 1 33 TYR H . . 3.500 2.960 2.913 3.016 . 0 0 "[ . 1 . 2]" 2
57 1 29 THR O 1 33 TYR N . . 3.300 2.864 2.780 2.930 . 0 0 "[ . 1 . 2]" 2
58 1 30 PHE O 1 34 VAL H . . 2.200 2.156 2.110 2.195 . 0 0 "[ . 1 . 2]" 2
59 1 30 PHE C 1 34 VAL H . . 3.500 3.292 3.260 3.311 . 0 0 "[ . 1 . 2]" 2
60 1 30 PHE O 1 34 VAL N . . 3.300 3.111 3.063 3.149 . 0 0 "[ . 1 . 2]" 2
61 1 25 ILE O 1 29 THR H . . 2.200 1.808 1.799 1.833 . 0 0 "[ . 1 . 2]" 2
62 1 25 ILE C 1 29 THR H . . 3.500 2.981 2.972 3.000 . 0 0 "[ . 1 . 2]" 2
63 1 25 ILE O 1 29 THR N . . 3.300 2.752 2.744 2.773 . 0 0 "[ . 1 . 2]" 2
64 1 26 VAL O 1 30 PHE H . . 2.200 2.205 2.204 2.210 0.010 4 0 "[ . 1 . 2]" 2
65 1 26 VAL C 1 30 PHE H . . 3.500 3.336 3.329 3.351 . 0 0 "[ . 1 . 2]" 2
66 1 26 VAL O 1 30 PHE N . . 3.300 3.063 3.050 3.086 . 0 0 "[ . 1 . 2]" 2
67 1 25 ILE O 1 29 THR HG1 . . 2.000 1.851 1.813 1.957 . 0 0 "[ . 1 . 2]" 2
68 1 25 ILE O 1 29 THR OG1 . . 3.000 2.684 2.681 2.685 . 0 0 "[ . 1 . 2]" 2
69 2 25 ILE O 2 29 THR HG1 . . 2.000 1.850 1.810 1.946 . 0 0 "[ . 1 . 2]" 2
70 2 25 ILE O 2 29 THR OG1 . . 3.000 2.683 2.680 2.686 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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