NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
527144 |
2lmf   |
18114 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lmf
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 263
_Distance_constraint_stats_list.Viol_count 361
_Distance_constraint_stats_list.Viol_total 454.970
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0232
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0630
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 0.051 0.045 10 0 "[ . 1 . 2]"
1 2 LEU 8.617 0.297 16 0 "[ . 1 . 2]"
1 3 GLY 7.926 0.297 16 0 "[ . 1 . 2]"
1 4 ASP 0.108 0.045 10 0 "[ . 1 . 2]"
1 5 PHE 1.058 0.093 13 0 "[ . 1 . 2]"
1 6 PHE 1.677 0.100 4 0 "[ . 1 . 2]"
1 7 ARG 0.457 0.040 5 0 "[ . 1 . 2]"
1 8 LYS 0.277 0.034 1 0 "[ . 1 . 2]"
1 9 SER 0.032 0.016 6 0 "[ . 1 . 2]"
1 10 LYS 1.358 0.081 3 0 "[ . 1 . 2]"
1 11 GLU 0.775 0.190 16 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 3.373 0.166 17 0 "[ . 1 . 2]"
1 14 GLY 0.775 0.073 17 0 "[ . 1 . 2]"
1 15 LYS 2.791 0.194 19 0 "[ . 1 . 2]"
1 16 GLU 1.149 0.166 17 0 "[ . 1 . 2]"
1 17 PHE 2.727 0.166 17 0 "[ . 1 . 2]"
1 18 LYS 2.241 0.185 17 0 "[ . 1 . 2]"
1 19 ARG 0.479 0.131 16 0 "[ . 1 . 2]"
1 20 ILE 2.524 0.165 18 0 "[ . 1 . 2]"
1 21 VAL 1.490 0.151 7 0 "[ . 1 . 2]"
1 22 GLN 1.047 0.151 7 0 "[ . 1 . 2]"
1 23 ARG 0.639 0.146 12 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 1 LEU HA 1 1 LEU MD1 3.000 . 4.800 2.950 2.115 4.000 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU MD2 3.000 . 4.800 2.973 2.155 3.793 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU HA 1 2 LEU MD1 3.000 . 4.800 2.537 2.105 3.170 . 0 0 "[ . 1 . 2]" 1
4 1 2 LEU HA 1 2 LEU MD2 2.500 . 4.200 3.695 3.559 3.775 . 0 0 "[ . 1 . 2]" 1
5 1 2 LEU MD1 1 5 PHE QE 3.000 . 6.000 3.647 3.483 3.766 . 0 0 "[ . 1 . 2]" 1
6 1 2 LEU MD1 1 5 PHE HB2 4.000 . 6.500 3.607 2.798 4.701 . 0 0 "[ . 1 . 2]" 1
7 1 2 LEU MD2 1 5 PHE HB2 4.000 . 6.500 5.108 5.020 5.207 . 0 0 "[ . 1 . 2]" 1
8 1 2 LEU MD2 1 5 PHE QD 3.000 . 5.000 2.748 2.450 2.975 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU MD1 1 5 PHE QD 3.000 . 5.000 3.062 2.666 3.438 . 0 0 "[ . 1 . 2]" 1
10 1 2 LEU MD1 1 6 PHE HZ 4.000 . 6.500 5.204 5.002 5.320 . 0 0 "[ . 1 . 2]" 1
11 1 2 LEU QD 1 6 PHE QE 3.000 . 5.300 2.131 2.018 2.290 . 0 0 "[ . 1 . 2]" 1
12 1 2 LEU QD 1 6 PHE QD 3.000 . 5.300 2.239 2.019 2.547 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLY HA2 1 6 PHE QD 4.000 . 5.500 2.868 2.406 3.469 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASP HA 1 7 ARG HG3 4.000 . 6.000 4.267 2.573 5.302 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASP HA 1 7 ARG HB2 4.000 . 5.000 3.235 2.341 4.725 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASP HA 1 7 ARG HB3 4.000 . 5.000 3.556 2.318 4.648 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASP HA 1 7 ARG HE 4.000 . 5.000 3.478 1.826 5.009 0.009 1 0 "[ . 1 . 2]" 1
18 1 5 PHE HA 1 5 PHE QD 3.000 . 3.800 3.260 3.174 3.359 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE HB3 1 5 PHE QD 3.000 . 3.800 2.470 2.453 2.482 . 0 0 "[ . 1 . 2]" 1
20 1 5 PHE HB2 1 5 PHE QD 2.500 . 3.200 2.363 2.353 2.376 . 0 0 "[ . 1 . 2]" 1
21 1 5 PHE HB2 1 6 PHE QD 4.000 . 6.500 6.052 5.911 6.199 . 0 0 "[ . 1 . 2]" 1
22 1 5 PHE QD 1 6 PHE HB2 4.000 . 6.500 3.174 3.051 3.338 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE QD 1 6 PHE QD 4.000 . 6.000 2.901 2.752 3.017 . 0 0 "[ . 1 . 2]" 1
24 1 5 PHE QD 1 6 PHE HA 4.000 . 5.500 3.055 2.866 3.256 . 0 0 "[ . 1 . 2]" 1
25 1 5 PHE QD 1 8 LYS QB 4.000 . 7.000 4.630 4.309 5.633 . 0 0 "[ . 1 . 2]" 1
26 1 5 PHE QD 1 8 LYS HD3 4.000 . 6.500 5.276 4.582 5.528 . 0 0 "[ . 1 . 2]" 1
27 1 5 PHE QE 1 13 ILE MD 4.000 . 8.500 5.314 4.397 6.363 . 0 0 "[ . 1 . 2]" 1
28 1 6 PHE HB2 1 6 PHE QD 3.000 . 3.800 2.301 2.293 2.308 . 0 0 "[ . 1 . 2]" 1
29 1 6 PHE HB3 1 6 PHE QD 3.000 . 3.800 2.665 2.621 2.713 . 0 0 "[ . 1 . 2]" 1
30 1 6 PHE HA 1 6 PHE QD 2.500 . 3.200 2.253 2.159 2.344 . 0 0 "[ . 1 . 2]" 1
31 1 6 PHE HA 1 9 SER HB2 4.000 . 6.000 2.900 2.308 3.936 . 0 0 "[ . 1 . 2]" 1
32 1 6 PHE HA 1 9 SER HB3 4.000 . 5.000 3.460 2.341 4.325 . 0 0 "[ . 1 . 2]" 1
33 1 6 PHE QE 1 10 LYS QE 4.000 . 7.000 4.216 2.544 5.600 . 0 0 "[ . 1 . 2]" 1
34 1 6 PHE QD 1 10 LYS HA 4.000 . 6.500 4.461 4.202 4.641 . 0 0 "[ . 1 . 2]" 1
35 1 6 PHE QE 1 10 LYS QG 4.000 . 7.000 4.455 3.897 5.385 . 0 0 "[ . 1 . 2]" 1
36 1 6 PHE QD 1 10 LYS HD3 4.000 . 5.500 3.633 2.212 4.769 . 0 0 "[ . 1 . 2]" 1
37 1 6 PHE QD 1 10 LYS HB2 4.000 . 5.500 4.303 4.038 4.452 . 0 0 "[ . 1 . 2]" 1
38 1 6 PHE QE 1 13 ILE MD 4.000 . 8.500 5.270 4.887 5.460 . 0 0 "[ . 1 . 2]" 1
39 1 7 ARG HA 1 10 LYS QG 4.000 . 6.500 4.314 3.725 4.759 . 0 0 "[ . 1 . 2]" 1
40 1 8 LYS HA 1 11 GLU HG3 4.000 . 6.000 4.430 3.941 5.801 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS HA 1 11 GLU HG2 4.000 . 6.000 5.126 4.187 5.578 . 0 0 "[ . 1 . 2]" 1
42 1 8 LYS HA 1 11 GLU QB 3.000 . 3.800 2.873 2.702 2.973 . 0 0 "[ . 1 . 2]" 1
43 1 9 SER HA 1 13 ILE MD 4.000 . 6.500 2.991 2.510 3.377 . 0 0 "[ . 1 . 2]" 1
44 1 9 SER HB2 1 13 ILE MD 4.000 . 6.500 3.378 2.205 4.265 . 0 0 "[ . 1 . 2]" 1
45 1 10 LYS QG 1 11 GLU HA 4.000 . 6.500 5.646 5.433 5.881 . 0 0 "[ . 1 . 2]" 1
46 1 11 GLU HA 1 11 GLU HG3 3.000 . 3.300 2.593 2.137 2.836 . 0 0 "[ . 1 . 2]" 1
47 1 11 GLU HA 1 11 GLU HG2 3.000 . 3.300 2.634 2.282 3.490 0.190 16 0 "[ . 1 . 2]" 1
48 1 12 LYS HA 1 13 ILE MD 4.000 . 6.500 4.461 4.356 4.544 . 0 0 "[ . 1 . 2]" 1
49 1 13 ILE HA 1 16 GLU HG3 4.000 . 6.000 4.282 3.540 5.512 . 0 0 "[ . 1 . 2]" 1
50 1 13 ILE HA 1 16 GLU HG2 4.000 . 6.000 4.753 2.096 5.334 . 0 0 "[ . 1 . 2]" 1
51 1 13 ILE HA 1 16 GLU HB3 4.000 . 6.000 3.881 2.701 4.152 . 0 0 "[ . 1 . 2]" 1
52 1 13 ILE HA 1 16 GLU HB2 4.000 . 5.000 2.566 2.214 4.943 . 0 0 "[ . 1 . 2]" 1
53 1 13 ILE MG 1 17 PHE QE 4.000 . 6.000 4.696 4.447 4.826 . 0 0 "[ . 1 . 2]" 1
54 1 13 ILE MG 1 17 PHE QD 3.000 . 4.300 3.260 2.770 3.473 . 0 0 "[ . 1 . 2]" 1
55 1 14 GLY H 1 17 PHE H 4.000 . 6.000 4.400 4.340 4.554 . 0 0 "[ . 1 . 2]" 1
56 1 14 GLY HA2 1 17 PHE QD 4.000 . 6.500 3.193 2.165 4.049 . 0 0 "[ . 1 . 2]" 1
57 1 14 GLY HA2 1 17 PHE HB3 4.000 . 6.000 2.704 2.308 3.575 . 0 0 "[ . 1 . 2]" 1
58 1 14 GLY HA2 1 17 PHE HB2 4.000 . 5.000 3.838 3.123 5.056 0.056 5 0 "[ . 1 . 2]" 1
59 1 16 GLU HA 1 16 GLU HG3 4.000 . 5.000 2.962 2.305 3.706 . 0 0 "[ . 1 . 2]" 1
60 1 16 GLU HA 1 16 GLU HG2 4.000 . 5.000 2.677 2.306 3.705 . 0 0 "[ . 1 . 2]" 1
61 1 16 GLU HA 1 19 ARG HD2 4.000 . 6.000 4.171 2.244 5.948 . 0 0 "[ . 1 . 2]" 1
62 1 16 GLU HA 1 19 ARG QG 4.000 . 6.000 2.961 2.057 4.196 . 0 0 "[ . 1 . 2]" 1
63 1 16 GLU HA 1 19 ARG QB 3.000 . 4.500 3.275 2.070 4.126 . 0 0 "[ . 1 . 2]" 1
64 1 16 GLU HA 1 20 ILE MD 4.000 . 6.500 5.139 4.628 5.319 . 0 0 "[ . 1 . 2]" 1
65 1 16 GLU HA 1 20 ILE H 4.000 . 6.000 4.035 3.159 4.627 . 0 0 "[ . 1 . 2]" 1
66 1 16 GLU HA 1 19 ARG HE 4.000 . 5.000 4.414 2.437 5.131 0.131 16 0 "[ . 1 . 2]" 1
67 1 17 PHE HA 1 17 PHE QE 4.000 . 6.500 4.718 4.389 5.426 . 0 0 "[ . 1 . 2]" 1
68 1 17 PHE HB3 1 17 PHE QD 3.000 . 3.800 2.402 2.296 2.610 . 0 0 "[ . 1 . 2]" 1
69 1 17 PHE HB2 1 17 PHE QD 3.000 . 3.800 2.461 2.294 2.625 . 0 0 "[ . 1 . 2]" 1
70 1 17 PHE HA 1 17 PHE QD 3.000 . 3.800 2.792 2.291 3.583 . 0 0 "[ . 1 . 2]" 1
71 1 17 PHE QE 1 18 LYS HA 4.000 . 6.500 4.345 3.412 4.856 . 0 0 "[ . 1 . 2]" 1
72 1 17 PHE QD 1 18 LYS QG 4.000 . 7.000 4.415 2.315 5.142 . 0 0 "[ . 1 . 2]" 1
73 1 17 PHE QD 1 18 LYS HB2 4.000 . 5.500 4.041 2.849 4.639 . 0 0 "[ . 1 . 2]" 1
74 1 17 PHE QD 1 18 LYS HD2 4.000 . 5.500 3.489 2.807 4.598 . 0 0 "[ . 1 . 2]" 1
75 1 17 PHE QD 1 18 LYS HA 4.000 . 5.500 3.436 2.853 3.780 . 0 0 "[ . 1 . 2]" 1
76 1 17 PHE H 1 19 ARG H 4.000 . 6.000 4.254 3.802 4.724 . 0 0 "[ . 1 . 2]" 1
77 1 17 PHE HA 1 20 ILE HG12 4.000 . 6.000 4.503 2.217 5.515 . 0 0 "[ . 1 . 2]" 1
78 1 17 PHE HB3 1 20 ILE MG 4.000 . 5.500 4.468 4.403 4.544 . 0 0 "[ . 1 . 2]" 1
79 1 17 PHE HB2 1 20 ILE MG 4.000 . 5.500 3.898 3.419 4.227 . 0 0 "[ . 1 . 2]" 1
80 1 17 PHE HA 1 20 ILE MD 2.500 . 5.200 3.350 2.139 4.193 . 0 0 "[ . 1 . 2]" 1
81 1 17 PHE HB2 1 21 VAL QG 4.000 . 6.500 4.288 3.644 4.801 . 0 0 "[ . 1 . 2]" 1
82 1 17 PHE HA 1 21 VAL QG 4.000 . 6.500 3.507 2.733 4.074 . 0 0 "[ . 1 . 2]" 1
83 1 17 PHE QE 1 21 VAL QG 3.000 . 5.300 2.663 2.380 3.001 . 0 0 "[ . 1 . 2]" 1
84 1 17 PHE QD 1 21 VAL QG 3.000 . 5.300 2.908 2.509 3.260 . 0 0 "[ . 1 . 2]" 1
85 1 18 LYS HA 1 18 LYS QG 3.000 . 4.800 2.392 2.173 3.309 . 0 0 "[ . 1 . 2]" 1
86 1 18 LYS HA 1 21 VAL QG 2.500 . 5.200 2.790 2.067 3.957 . 0 0 "[ . 1 . 2]" 1
87 1 18 LYS HA 1 23 ARG H 4.000 . 6.000 5.477 3.641 6.121 0.121 4 0 "[ . 1 . 2]" 1
88 1 19 ARG HA 1 22 GLN QG 4.000 . 6.500 3.483 2.206 5.787 . 0 0 "[ . 1 . 2]" 1
89 1 20 ILE HA 1 22 GLN QG 4.000 . 6.500 4.186 3.105 5.861 . 0 0 "[ . 1 . 2]" 1
90 1 21 VAL HA 1 22 GLN QG 4.000 . 6.500 4.165 3.105 5.392 . 0 0 "[ . 1 . 2]" 1
91 1 21 VAL MG1 1 22 GLN QG 4.000 . 6.000 4.176 3.872 4.421 . 0 0 "[ . 1 . 2]" 1
92 1 22 GLN HA 1 22 GLN QG 3.000 . 4.800 2.640 2.242 3.394 . 0 0 "[ . 1 . 2]" 1
93 1 1 LEU HA 1 2 LEU H 2.500 . 2.900 2.365 2.146 2.898 . 0 0 "[ . 1 . 2]" 1
94 1 1 LEU HA 1 3 GLY H 4.000 . 5.000 4.200 3.656 4.812 . 0 0 "[ . 1 . 2]" 1
95 1 1 LEU HA 1 4 ASP H 4.000 . 5.000 4.608 3.833 5.045 0.045 10 0 "[ . 1 . 2]" 1
96 1 2 LEU H 1 2 LEU QD 3.000 . 5.500 3.732 3.618 3.891 . 0 0 "[ . 1 . 2]" 1
97 1 2 LEU H 1 2 LEU HB3 2.500 . 2.900 2.602 2.446 2.792 . 0 0 "[ . 1 . 2]" 1
98 1 2 LEU H 1 2 LEU HB2 2.500 . 2.900 2.598 2.378 2.941 0.041 10 0 "[ . 1 . 2]" 1
99 1 2 LEU HG 1 3 GLY H 3.000 . 3.500 3.759 3.726 3.797 0.297 16 0 "[ . 1 . 2]" 1
100 1 2 LEU HB3 1 3 GLY H 3.000 . 3.500 2.278 2.152 2.382 . 0 0 "[ . 1 . 2]" 1
101 1 2 LEU HB2 1 3 GLY H 3.000 . 3.500 3.638 3.601 3.676 0.176 1 0 "[ . 1 . 2]" 1
102 1 2 LEU HA 1 3 GLY H 3.000 . 3.800 3.514 3.504 3.523 . 0 0 "[ . 1 . 2]" 1
103 1 2 LEU H 1 3 GLY H 3.000 . 3.800 2.596 2.043 3.042 . 0 0 "[ . 1 . 2]" 1
104 1 2 LEU HA 1 4 ASP H 4.000 . 5.000 3.809 3.747 3.877 . 0 0 "[ . 1 . 2]" 1
105 1 2 LEU QD 1 5 PHE H 4.000 . 6.500 3.947 3.732 4.201 . 0 0 "[ . 1 . 2]" 1
106 1 2 LEU HG 1 5 PHE H 4.000 . 5.000 3.660 3.543 3.775 . 0 0 "[ . 1 . 2]" 1
107 1 2 LEU HB2 1 6 PHE H 4.000 . 6.000 5.956 5.798 6.100 0.100 4 0 "[ . 1 . 2]" 1
108 1 2 LEU HB3 1 6 PHE H 4.000 . 6.000 5.264 5.057 5.529 . 0 0 "[ . 1 . 2]" 1
109 1 3 GLY H 1 4 ASP H 3.000 . 3.500 3.007 2.980 3.040 . 0 0 "[ . 1 . 2]" 1
110 1 3 GLY HA3 1 4 ASP H 3.000 . 3.800 2.903 2.894 2.911 . 0 0 "[ . 1 . 2]" 1
111 1 3 GLY HA2 1 4 ASP H 3.000 . 3.800 3.534 3.528 3.541 . 0 0 "[ . 1 . 2]" 1
112 1 3 GLY H 1 5 PHE H 4.000 3.000 5.000 4.317 4.220 4.412 . 0 0 "[ . 1 . 2]" 1
113 1 3 GLY HA2 1 6 PHE H 3.000 . 3.800 3.475 3.230 3.649 . 0 0 "[ . 1 . 2]" 1
114 1 3 GLY H 1 6 PHE H 4.000 . 5.000 4.865 4.769 4.942 . 0 0 "[ . 1 . 2]" 1
115 1 4 ASP H 1 4 ASP HB3 3.000 . 3.800 2.908 2.329 3.596 . 0 0 "[ . 1 . 2]" 1
116 1 4 ASP H 1 4 ASP HB2 3.000 . 3.800 2.703 2.334 3.604 . 0 0 "[ . 1 . 2]" 1
117 1 4 ASP HA 1 5 PHE H 3.000 . 3.800 3.529 3.505 3.539 . 0 0 "[ . 1 . 2]" 1
118 1 4 ASP HB2 1 5 PHE H 3.000 . 3.800 3.410 2.558 3.822 0.022 16 0 "[ . 1 . 2]" 1
119 1 4 ASP HB3 1 5 PHE H 3.000 . 3.800 3.180 2.532 3.809 0.009 6 0 "[ . 1 . 2]" 1
120 1 4 ASP H 1 5 PHE H 2.500 . 2.900 2.546 2.475 2.646 . 0 0 "[ . 1 . 2]" 1
121 1 4 ASP HA 1 6 PHE H 4.000 . 5.000 4.513 4.412 4.604 . 0 0 "[ . 1 . 2]" 1
122 1 4 ASP HA 1 7 ARG H 3.000 . 3.800 3.437 3.286 3.681 . 0 0 "[ . 1 . 2]" 1
123 1 4 ASP HA 1 8 LYS H 4.000 . 5.000 4.512 4.294 4.610 . 0 0 "[ . 1 . 2]" 1
124 1 5 PHE H 1 5 PHE QD 4.000 . 5.500 3.688 3.444 3.868 . 0 0 "[ . 1 . 2]" 1
125 1 5 PHE H 1 5 PHE HB2 2.500 . 3.900 3.048 2.931 3.182 . 0 0 "[ . 1 . 2]" 1
126 1 5 PHE H 1 5 PHE HB3 2.500 . 3.900 2.119 2.075 2.160 . 0 0 "[ . 1 . 2]" 1
127 1 5 PHE QD 1 6 PHE H 4.000 . 5.500 1.996 1.854 2.189 . 0 0 "[ . 1 . 2]" 1
128 1 5 PHE HA 1 6 PHE H 3.000 . 3.800 3.547 3.535 3.560 . 0 0 "[ . 1 . 2]" 1
129 1 5 PHE H 1 6 PHE H 2.500 . 2.900 2.771 2.697 2.828 . 0 0 "[ . 1 . 2]" 1
130 1 5 PHE HB2 1 6 PHE H 2.500 . 3.900 3.951 3.933 3.993 0.093 13 0 "[ . 1 . 2]" 1
131 1 5 PHE HA 1 8 LYS H 3.000 . 3.800 3.625 3.486 3.771 . 0 0 "[ . 1 . 2]" 1
132 1 6 PHE H 1 6 PHE QD 4.000 . 5.500 3.251 3.118 3.389 . 0 0 "[ . 1 . 2]" 1
133 1 6 PHE H 1 6 PHE QB 2.500 . 4.400 2.143 2.107 2.172 . 0 0 "[ . 1 . 2]" 1
134 1 6 PHE QD 1 7 ARG H 4.000 . 5.500 4.551 4.483 4.617 . 0 0 "[ . 1 . 2]" 1
135 1 6 PHE HA 1 7 ARG H 3.000 . 3.800 3.564 3.550 3.588 . 0 0 "[ . 1 . 2]" 1
136 1 6 PHE H 1 7 ARG H 2.500 . 2.900 2.821 2.668 2.920 0.020 4 0 "[ . 1 . 2]" 1
137 1 6 PHE QB 1 7 ARG H 2.500 . 4.400 2.615 2.507 2.735 . 0 0 "[ . 1 . 2]" 1
138 1 7 ARG H 1 7 ARG QG 3.000 . 4.000 3.030 2.113 3.744 . 0 0 "[ . 1 . 2]" 1
139 1 7 ARG H 1 7 ARG HB2 2.500 . 3.900 2.636 2.078 3.428 . 0 0 "[ . 1 . 2]" 1
140 1 7 ARG H 1 7 ARG HB3 2.500 . 3.900 2.946 2.064 3.598 . 0 0 "[ . 1 . 2]" 1
141 1 7 ARG HA 1 8 LYS H 3.000 . 3.800 3.545 3.490 3.582 . 0 0 "[ . 1 . 2]" 1
142 1 7 ARG HB3 1 8 LYS H 3.000 . 3.500 3.214 2.857 3.502 0.002 10 0 "[ . 1 . 2]" 1
143 1 7 ARG H 1 8 LYS H 2.500 . 2.900 2.823 2.741 2.915 0.015 13 0 "[ . 1 . 2]" 1
144 1 7 ARG HA 1 10 LYS H 3.000 . 3.800 3.814 3.750 3.840 0.040 5 0 "[ . 1 . 2]" 1
145 1 7 ARG HA 1 11 GLU H 4.000 . 5.000 3.988 3.676 4.212 . 0 0 "[ . 1 . 2]" 1
146 1 8 LYS H 1 8 LYS QG 3.000 . 5.000 3.177 1.977 4.018 . 0 0 "[ . 1 . 2]" 1
147 1 8 LYS H 1 8 LYS QB 2.500 . 4.400 2.279 2.129 2.507 . 0 0 "[ . 1 . 2]" 1
148 1 8 LYS QG 1 9 SER H 4.000 . 5.500 3.788 1.824 4.366 . 0 0 "[ . 1 . 2]" 1
149 1 8 LYS QB 1 9 SER H 3.000 . 5.000 2.657 2.367 3.525 . 0 0 "[ . 1 . 2]" 1
150 1 8 LYS H 1 9 SER H 2.500 . 2.900 2.545 2.482 2.631 . 0 0 "[ . 1 . 2]" 1
151 1 8 LYS H 1 11 GLU H 4.000 . 5.000 4.711 4.461 4.869 . 0 0 "[ . 1 . 2]" 1
152 1 8 LYS HA 1 11 GLU H 3.000 . 3.800 3.806 3.701 3.834 0.034 1 0 "[ . 1 . 2]" 1
153 1 9 SER H 1 9 SER HB2 3.000 . 3.500 2.686 2.401 3.516 0.016 6 0 "[ . 1 . 2]" 1
154 1 9 SER H 1 9 SER HB3 2.500 . 3.900 3.174 2.217 3.608 . 0 0 "[ . 1 . 2]" 1
155 1 9 SER HB2 1 10 LYS H 3.000 . 3.800 2.909 2.330 3.816 0.016 6 0 "[ . 1 . 2]" 1
156 1 9 SER HA 1 10 LYS H 3.000 . 3.800 3.575 3.565 3.584 . 0 0 "[ . 1 . 2]" 1
157 1 10 LYS H 1 10 LYS QG 3.000 . 5.000 2.940 2.406 3.679 . 0 0 "[ . 1 . 2]" 1
158 1 10 LYS H 1 10 LYS QB 2.500 . 4.400 2.212 2.120 2.326 . 0 0 "[ . 1 . 2]" 1
159 1 10 LYS QG 1 11 GLU H 3.000 . 5.000 4.412 4.281 4.545 . 0 0 "[ . 1 . 2]" 1
160 1 10 LYS HA 1 11 GLU H 3.000 . 3.800 3.529 3.498 3.550 . 0 0 "[ . 1 . 2]" 1
161 1 10 LYS QB 1 11 GLU H 3.000 . 5.000 2.756 2.697 2.831 . 0 0 "[ . 1 . 2]" 1
162 1 10 LYS H 1 11 GLU H 2.500 . 2.900 2.781 2.737 2.822 . 0 0 "[ . 1 . 2]" 1
163 1 10 LYS HA 1 12 LYS H 4.000 . 5.000 4.582 4.318 4.812 . 0 0 "[ . 1 . 2]" 1
164 1 10 LYS H 1 13 ILE MD 4.000 . 6.500 3.748 3.616 3.841 . 0 0 "[ . 1 . 2]" 1
165 1 10 LYS H 1 13 ILE HG12 4.000 . 6.000 6.048 6.009 6.081 0.081 3 0 "[ . 1 . 2]" 1
166 1 11 GLU H 1 11 GLU QG 3.000 . 5.000 2.738 2.433 3.605 . 0 0 "[ . 1 . 2]" 1
167 1 11 GLU H 1 11 GLU HB2 2.500 . 3.900 2.262 2.133 2.334 . 0 0 "[ . 1 . 2]" 1
168 1 11 GLU QG 1 12 LYS H 4.000 . 5.500 4.237 4.114 4.532 . 0 0 "[ . 1 . 2]" 1
169 1 11 GLU HA 1 12 LYS H 3.000 . 3.800 3.556 3.526 3.576 . 0 0 "[ . 1 . 2]" 1
170 1 11 GLU HB2 1 12 LYS H 2.500 . 2.900 2.605 2.420 2.850 . 0 0 "[ . 1 . 2]" 1
171 1 11 GLU H 1 12 LYS H 2.500 . 2.900 2.637 2.426 2.827 . 0 0 "[ . 1 . 2]" 1
172 1 11 GLU HA 1 13 ILE H 4.000 . 5.000 4.560 4.347 4.790 . 0 0 "[ . 1 . 2]" 1
173 1 12 LYS H 1 12 LYS QD 3.000 . 5.000 4.095 3.507 4.409 . 0 0 "[ . 1 . 2]" 1
174 1 12 LYS H 1 12 LYS QG 2.500 . 4.400 3.174 2.274 4.025 . 0 0 "[ . 1 . 2]" 1
175 1 12 LYS H 1 12 LYS QB 2.500 . 4.400 2.261 2.095 2.444 . 0 0 "[ . 1 . 2]" 1
176 1 12 LYS QG 1 13 ILE H 4.000 . 6.500 3.963 2.987 4.230 . 0 0 "[ . 1 . 2]" 1
177 1 12 LYS HA 1 13 ILE H 3.000 . 3.800 3.565 3.551 3.579 . 0 0 "[ . 1 . 2]" 1
178 1 12 LYS QB 1 13 ILE H 2.500 . 4.400 2.475 2.348 2.590 . 0 0 "[ . 1 . 2]" 1
179 1 12 LYS H 1 13 ILE H 2.500 . 2.900 2.738 2.617 2.807 . 0 0 "[ . 1 . 2]" 1
180 1 12 LYS HA 1 14 GLY H 4.000 . 5.000 4.365 4.069 4.658 . 0 0 "[ . 1 . 2]" 1
181 1 13 ILE H 1 13 ILE HG13 3.000 . 3.500 3.530 3.455 3.591 0.091 17 0 "[ . 1 . 2]" 1
182 1 13 ILE H 1 13 ILE MG 3.000 . 4.000 3.623 3.602 3.644 . 0 0 "[ . 1 . 2]" 1
183 1 13 ILE H 1 13 ILE HB 2.500 . 2.900 2.201 2.168 2.240 . 0 0 "[ . 1 . 2]" 1
184 1 13 ILE MG 1 14 GLY H 3.000 . 4.500 3.069 2.629 3.274 . 0 0 "[ . 1 . 2]" 1
185 1 13 ILE HB 1 14 GLY H 2.500 . 2.900 2.734 2.472 2.903 0.003 19 0 "[ . 1 . 2]" 1
186 1 13 ILE H 1 14 GLY H 2.500 . 2.900 2.581 2.495 2.761 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE H 1 16 GLU H 4.000 . 5.000 4.901 4.602 5.027 0.027 2 0 "[ . 1 . 2]" 1
188 1 13 ILE HA 1 16 GLU H 3.000 . 3.800 3.366 3.139 3.526 . 0 0 "[ . 1 . 2]" 1
189 1 13 ILE MG 1 17 PHE H 4.000 . 5.500 3.072 2.880 3.244 . 0 0 "[ . 1 . 2]" 1
190 1 13 ILE HB 1 17 PHE H 4.000 . 5.000 5.081 5.025 5.166 0.166 17 0 "[ . 1 . 2]" 1
191 1 14 GLY H 1 15 LYS QB 4.000 . 5.500 4.706 4.631 4.932 . 0 0 "[ . 1 . 2]" 1
192 1 14 GLY HA2 1 15 LYS H 3.000 . 3.800 3.557 3.526 3.573 . 0 0 "[ . 1 . 2]" 1
193 1 14 GLY HA3 1 15 LYS H 2.500 . 2.900 2.740 2.588 2.920 0.020 17 0 "[ . 1 . 2]" 1
194 1 14 GLY H 1 15 LYS H 2.500 . 2.900 2.876 2.764 2.943 0.043 13 0 "[ . 1 . 2]" 1
195 1 14 GLY H 1 16 GLU H 4.000 . 5.000 4.393 4.013 4.706 . 0 0 "[ . 1 . 2]" 1
196 1 14 GLY HA3 1 17 PHE H 4.000 . 5.000 4.813 4.713 5.001 0.001 17 0 "[ . 1 . 2]" 1
197 1 14 GLY HA2 1 17 PHE H 3.000 . 3.800 3.822 3.754 3.873 0.073 17 0 "[ . 1 . 2]" 1
198 1 15 LYS H 1 15 LYS QG 3.000 . 5.000 3.329 1.606 3.878 0.194 19 0 "[ . 1 . 2]" 1
199 1 15 LYS H 1 15 LYS HD3 3.000 . 3.500 2.569 2.130 3.560 0.060 16 0 "[ . 1 . 2]" 1
200 1 15 LYS H 1 15 LYS HD2 3.000 . 3.500 2.808 2.138 3.661 0.161 19 0 "[ . 1 . 2]" 1
201 1 15 LYS H 1 15 LYS QB 2.500 . 4.400 2.220 2.068 2.686 . 0 0 "[ . 1 . 2]" 1
202 1 15 LYS HD3 1 16 GLU H 4.000 . 5.000 4.427 2.124 5.067 0.067 19 0 "[ . 1 . 2]" 1
203 1 15 LYS QG 1 16 GLU H 4.000 . 5.500 4.105 1.674 4.604 0.126 16 0 "[ . 1 . 2]" 1
204 1 15 LYS HA 1 16 GLU H 3.000 . 3.800 3.565 3.507 3.588 . 0 0 "[ . 1 . 2]" 1
205 1 15 LYS H 1 16 GLU H 2.500 . 2.900 2.699 2.483 2.883 . 0 0 "[ . 1 . 2]" 1
206 1 15 LYS H 1 17 PHE H 4.000 . 5.000 3.984 3.783 4.362 . 0 0 "[ . 1 . 2]" 1
207 1 15 LYS HA 1 17 PHE H 4.000 . 5.000 4.612 4.402 4.912 . 0 0 "[ . 1 . 2]" 1
208 1 15 LYS HA 1 18 LYS H 3.000 . 3.500 3.596 3.545 3.685 0.185 17 0 "[ . 1 . 2]" 1
209 1 16 GLU H 1 16 GLU HG2 3.000 . 4.500 3.424 2.287 4.507 0.007 9 0 "[ . 1 . 2]" 1
210 1 16 GLU H 1 16 GLU HB3 2.500 . 3.900 3.464 2.440 3.592 . 0 0 "[ . 1 . 2]" 1
211 1 16 GLU H 1 16 GLU HG3 2.500 . 3.900 2.981 2.166 3.931 0.031 9 0 "[ . 1 . 2]" 1
212 1 16 GLU H 1 16 GLU HB2 2.500 . 3.900 2.404 2.124 3.603 . 0 0 "[ . 1 . 2]" 1
213 1 16 GLU HG2 1 17 PHE H 4.000 . 5.000 4.658 1.747 5.008 0.053 17 0 "[ . 1 . 2]" 1
214 1 16 GLU HG3 1 17 PHE H 4.000 . 5.000 4.499 2.219 5.015 0.015 13 0 "[ . 1 . 2]" 1
215 1 16 GLU H 1 17 PHE QB 4.000 . 6.500 4.339 4.065 4.510 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLU HA 1 17 PHE H 3.000 . 3.800 3.548 3.524 3.586 . 0 0 "[ . 1 . 2]" 1
217 1 16 GLU HB3 1 17 PHE H 3.000 . 3.500 3.364 2.715 3.609 0.109 17 0 "[ . 1 . 2]" 1
218 1 16 GLU HB2 1 17 PHE H 3.000 . 3.500 2.699 2.378 3.666 0.166 17 0 "[ . 1 . 2]" 1
219 1 16 GLU H 1 17 PHE H 2.500 . 2.900 2.657 2.506 2.801 . 0 0 "[ . 1 . 2]" 1
220 1 16 GLU HA 1 18 LYS H 4.000 . 5.000 4.289 3.864 4.669 . 0 0 "[ . 1 . 2]" 1
221 1 16 GLU HA 1 19 ARG H 3.000 . 3.800 3.465 3.048 3.827 0.027 5 0 "[ . 1 . 2]" 1
222 1 17 PHE H 1 17 PHE QD 4.000 . 5.500 3.877 2.786 4.163 . 0 0 "[ . 1 . 2]" 1
223 1 17 PHE H 1 17 PHE QB 2.500 . 4.400 2.180 2.031 2.250 . 0 0 "[ . 1 . 2]" 1
224 1 17 PHE QD 1 18 LYS H 4.000 . 5.500 3.181 1.891 3.685 . 0 0 "[ . 1 . 2]" 1
225 1 17 PHE HA 1 18 LYS H 3.000 . 3.800 3.537 3.441 3.578 . 0 0 "[ . 1 . 2]" 1
226 1 17 PHE H 1 18 LYS H 2.500 . 2.900 2.769 2.562 2.920 0.020 11 0 "[ . 1 . 2]" 1
227 1 17 PHE QB 1 18 LYS H 2.500 . 4.400 2.714 2.249 3.418 . 0 0 "[ . 1 . 2]" 1
228 1 17 PHE HA 1 20 ILE H 4.000 . 5.000 3.395 3.025 4.101 . 0 0 "[ . 1 . 2]" 1
229 1 18 LYS H 1 18 LYS QG 3.000 . 5.000 3.734 2.140 4.042 . 0 0 "[ . 1 . 2]" 1
230 1 18 LYS H 1 18 LYS QB 2.500 . 4.400 2.147 2.023 2.525 . 0 0 "[ . 1 . 2]" 1
231 1 18 LYS HA 1 19 ARG H 3.000 . 3.800 3.527 3.417 3.596 . 0 0 "[ . 1 . 2]" 1
232 1 18 LYS H 1 19 ARG H 2.500 . 2.900 2.665 2.458 2.946 0.046 12 0 "[ . 1 . 2]" 1
233 1 19 ARG H 1 19 ARG QD 4.000 . 5.500 4.009 3.572 4.500 . 0 0 "[ . 1 . 2]" 1
234 1 19 ARG H 1 19 ARG HG2 3.000 . 3.500 2.832 1.736 3.560 0.064 14 0 "[ . 1 . 2]" 1
235 1 19 ARG H 1 19 ARG HB3 2.500 . 3.900 2.967 2.192 3.643 . 0 0 "[ . 1 . 2]" 1
236 1 19 ARG HA 1 20 ILE H 3.000 . 3.800 3.503 3.419 3.577 . 0 0 "[ . 1 . 2]" 1
237 1 19 ARG HB3 1 20 ILE H 3.000 . 4.500 3.791 3.264 4.194 . 0 0 "[ . 1 . 2]" 1
238 1 19 ARG H 1 20 ILE H 2.500 . 2.900 2.436 2.211 2.834 . 0 0 "[ . 1 . 2]" 1
239 1 20 ILE H 1 20 ILE MD 4.000 . 5.500 4.049 3.702 4.197 . 0 0 "[ . 1 . 2]" 1
240 1 20 ILE H 1 20 ILE HG12 3.000 . 4.500 4.056 2.596 4.536 0.036 12 0 "[ . 1 . 2]" 1
241 1 20 ILE H 1 20 ILE MG 2.500 . 4.400 2.618 1.923 3.024 . 0 0 "[ . 1 . 2]" 1
242 1 20 ILE H 1 20 ILE HG13 2.500 . 3.900 3.965 3.846 4.065 0.165 18 0 "[ . 1 . 2]" 1
243 1 20 ILE H 1 20 ILE HB 2.500 . 3.900 2.540 2.139 3.681 . 0 0 "[ . 1 . 2]" 1
244 1 20 ILE HG13 1 21 VAL H 4.000 . 5.000 4.465 2.604 5.117 0.117 12 0 "[ . 1 . 2]" 1
245 1 20 ILE MG 1 21 VAL H 3.000 . 4.000 2.385 1.786 3.374 0.014 10 0 "[ . 1 . 2]" 1
246 1 20 ILE HA 1 21 VAL H 3.000 . 3.800 3.522 3.429 3.561 . 0 0 "[ . 1 . 2]" 1
247 1 20 ILE HB 1 21 VAL H 2.500 . 3.900 3.635 3.425 3.954 0.054 16 0 "[ . 1 . 2]" 1
248 1 20 ILE H 1 21 VAL H 2.500 . 2.900 2.481 2.202 2.784 . 0 0 "[ . 1 . 2]" 1
249 1 20 ILE HA 1 22 GLN H 4.000 . 5.000 4.008 3.481 5.029 0.029 2 0 "[ . 1 . 2]" 1
250 1 21 VAL H 1 21 VAL HB 2.500 . 3.900 2.643 2.413 3.199 . 0 0 "[ . 1 . 2]" 1
251 1 21 VAL H 1 21 VAL QG 2.500 . 4.900 2.311 2.077 2.718 . 0 0 "[ . 1 . 2]" 1
252 1 21 VAL QG 1 22 GLN H 3.000 . 5.500 3.419 3.082 3.735 . 0 0 "[ . 1 . 2]" 1
253 1 21 VAL HA 1 22 GLN H 2.500 . 2.900 2.704 2.194 3.051 0.151 7 0 "[ . 1 . 2]" 1
254 1 21 VAL H 1 22 GLN HA 4.000 . 5.000 4.750 4.519 5.022 0.022 2 0 "[ . 1 . 2]" 1
255 1 21 VAL HA 1 23 ARG H 4.000 . 5.000 4.506 3.180 5.025 0.025 14 0 "[ . 1 . 2]" 1
256 1 21 VAL QG 1 23 ARG H 4.000 . 7.000 3.145 2.039 4.417 . 0 0 "[ . 1 . 2]" 1
257 1 22 GLN H 1 22 GLN QG 3.000 . 5.000 2.196 1.739 3.059 0.061 20 0 "[ . 1 . 2]" 1
258 1 22 GLN H 1 22 GLN QB 2.500 . 3.400 2.631 2.231 3.230 . 0 0 "[ . 1 . 2]" 1
259 1 22 GLN QB 1 23 ARG H 4.000 . 5.500 3.852 3.652 4.038 . 0 0 "[ . 1 . 2]" 1
260 1 22 GLN HA 1 23 ARG H 2.500 . 2.900 2.487 2.273 3.046 0.146 12 0 "[ . 1 . 2]" 1
261 1 23 ARG H 1 23 ARG QB 3.000 . 4.000 2.908 2.347 3.491 . 0 0 "[ . 1 . 2]" 1
262 1 23 ARG H 1 23 ARG HG2 3.000 . 3.500 2.856 1.860 3.557 0.057 5 0 "[ . 1 . 2]" 1
263 1 23 ARG H 1 23 ARG HG3 3.000 . 3.500 2.794 1.951 3.516 0.016 3 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 32
_Distance_constraint_stats_list.Viol_count 102
_Distance_constraint_stats_list.Viol_total 48.153
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0109
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0236
_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 LEU 0.431 0.072 16 0 "[ . 1 . 2]"
1 3 GLY 0.058 0.016 17 0 "[ . 1 . 2]"
1 4 ASP 0.272 0.040 13 0 "[ . 1 . 2]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PHE 0.431 0.072 16 0 "[ . 1 . 2]"
1 7 ARG 0.382 0.046 19 0 "[ . 1 . 2]"
1 8 LYS 0.612 0.067 12 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.944 0.068 4 0 "[ . 1 . 2]"
1 12 LYS 0.552 0.067 12 0 "[ . 1 . 2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.755 0.068 4 0 "[ . 1 . 2]"
1 16 GLU 0.227 0.040 16 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.135 0.035 16 0 "[ . 1 . 2]"
1 20 ILE 0.015 0.008 12 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LEU O 1 6 PHE N 3.000 2.200 3.300 3.189 3.069 3.261 . 0 0 "[ . 1 . 2]" 2
2 1 2 LEU O 1 6 PHE H 2.000 . 2.300 2.304 2.169 2.372 0.072 16 0 "[ . 1 . 2]" 2
3 1 3 GLY O 1 7 ARG N 3.000 2.200 3.300 3.155 2.903 3.296 . 0 0 "[ . 1 . 2]" 2
4 1 3 GLY O 1 7 ARG H 2.000 . 2.300 2.215 1.948 2.316 0.016 17 0 "[ . 1 . 2]" 2
5 1 4 ASP O 1 8 LYS N 3.000 2.200 3.300 3.204 3.095 3.287 . 0 0 "[ . 1 . 2]" 2
6 1 4 ASP O 1 8 LYS H 2.000 . 2.300 2.297 2.155 2.340 0.040 13 0 "[ . 1 . 2]" 2
7 1 5 PHE O 1 9 SER N 3.000 2.200 3.300 2.854 2.566 3.231 . 0 0 "[ . 1 . 2]" 2
8 1 5 PHE O 1 9 SER H 2.000 . 2.300 1.925 1.643 2.291 . 0 0 "[ . 1 . 2]" 2
9 1 6 PHE O 1 10 LYS N 3.000 2.200 3.300 2.345 2.264 2.409 . 0 0 "[ . 1 . 2]" 2
10 1 6 PHE O 1 10 LYS H 2.000 . 2.300 1.400 1.316 1.481 . 0 0 "[ . 1 . 2]" 2
11 1 7 ARG O 1 11 GLU N 3.000 2.200 3.300 3.162 3.066 3.223 . 0 0 "[ . 1 . 2]" 2
12 1 7 ARG O 1 11 GLU H 2.000 . 2.300 2.316 2.292 2.346 0.046 19 0 "[ . 1 . 2]" 2
13 1 8 LYS O 1 12 LYS N 3.000 2.200 3.300 3.178 2.952 3.312 0.012 12 0 "[ . 1 . 2]" 2
14 1 8 LYS O 1 12 LYS H 2.000 . 2.300 2.263 2.027 2.367 0.067 12 0 "[ . 1 . 2]" 2
15 1 9 SER O 1 13 ILE N 3.000 2.200 3.300 2.702 2.496 2.952 . 0 0 "[ . 1 . 2]" 2
16 1 9 SER O 1 13 ILE H 2.000 . 2.300 1.745 1.525 2.010 . 0 0 "[ . 1 . 2]" 2
17 1 10 LYS O 1 14 GLY N 3.000 2.200 3.300 2.686 2.391 3.051 . 0 0 "[ . 1 . 2]" 2
18 1 10 LYS O 1 14 GLY H 2.000 . 2.300 1.857 1.514 2.229 . 0 0 "[ . 1 . 2]" 2
19 1 11 GLU O 1 15 LYS N 3.000 2.200 3.300 3.233 3.082 3.291 . 0 0 "[ . 1 . 2]" 2
20 1 11 GLU O 1 15 LYS H 2.000 . 2.300 2.323 2.167 2.368 0.068 4 0 "[ . 1 . 2]" 2
21 1 12 LYS O 1 16 GLU N 3.000 2.200 3.300 3.166 2.842 3.309 0.009 12 0 "[ . 1 . 2]" 2
22 1 12 LYS O 1 16 GLU H 2.000 . 2.300 2.207 1.868 2.340 0.040 16 0 "[ . 1 . 2]" 2
23 1 13 ILE O 1 17 PHE N 3.000 2.200 3.300 2.272 2.224 2.342 . 0 0 "[ . 1 . 2]" 2
24 1 13 ILE O 1 17 PHE H 2.000 . 2.300 1.345 1.308 1.453 . 0 0 "[ . 1 . 2]" 2
25 1 14 GLY O 1 18 LYS N 3.000 2.200 3.500 2.923 2.472 3.201 . 0 0 "[ . 1 . 2]" 2
26 1 14 GLY O 1 18 LYS H 2.000 . 2.500 2.083 1.757 2.344 . 0 0 "[ . 1 . 2]" 2
27 1 15 LYS O 1 19 ARG N 3.000 2.200 3.500 3.240 3.037 3.444 . 0 0 "[ . 1 . 2]" 2
28 1 15 LYS O 1 19 ARG H 2.000 . 2.500 2.386 2.102 2.535 0.035 16 0 "[ . 1 . 2]" 2
29 1 16 GLU O 1 20 ILE N 3.000 2.200 3.300 2.718 2.401 3.178 . 0 0 "[ . 1 . 2]" 2
30 1 16 GLU O 1 20 ILE H 2.000 . 2.300 1.876 1.464 2.308 0.008 12 0 "[ . 1 . 2]" 2
31 1 17 PHE O 1 21 VAL N 3.000 2.200 3.300 2.766 2.342 3.192 . 0 0 "[ . 1 . 2]" 2
32 1 17 PHE O 1 21 VAL H 2.000 . 2.300 1.884 1.444 2.266 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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