NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635993 |
6ith   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ith
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 117
_Distance_constraint_stats_list.Viol_count 106
_Distance_constraint_stats_list.Viol_total 158.458
_Distance_constraint_stats_list.Viol_max 0.209
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0997
_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 MET 0.000 0.000 . 0 "[ . 1 .]"
1 2 GLU 1.152 0.209 11 0 "[ . 1 .]"
1 3 GLN 1.061 0.165 11 0 "[ . 1 .]"
1 4 SER 0.122 0.118 15 0 "[ . 1 .]"
1 5 THR 0.273 0.064 7 0 "[ . 1 .]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 7 VAL 0.269 0.064 7 0 "[ . 1 .]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 13 ALA 1.665 0.144 11 0 "[ . 1 .]"
1 14 GLY 2.425 0.166 7 0 "[ . 1 .]"
1 15 GLY 4.090 0.166 7 0 "[ . 1 .]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 17 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 18 GLY 0.995 0.098 15 0 "[ . 1 .]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 20 LEU 1.939 0.132 13 0 "[ . 1 .]"
1 21 PHE 0.995 0.098 15 0 "[ . 1 .]"
1 22 ALA 3.850 0.141 7 0 "[ . 1 .]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 24 PHE 1.853 0.141 7 0 "[ . 1 .]"
1 25 LEU 0.057 0.013 9 0 "[ . 1 .]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 27 LEU 0.086 0.086 11 0 "[ . 1 .]"
1 28 LEU 0.086 0.086 11 0 "[ . 1 .]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 33 MET 0.000 0.000 . 0 "[ . 1 .]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 .]"
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 20 LEU H 1 21 PHE H . . 3.710 2.637 2.630 2.642 . 0 0 "[ . 1 .]" 1
2 1 21 PHE H 1 23 ILE H . . 4.970 4.184 4.163 4.212 . 0 0 "[ . 1 .]" 1
3 1 19 PHE HA 1 21 PHE H . . 5.500 4.371 4.346 4.388 . 0 0 "[ . 1 .]" 1
4 1 18 GLY HA2 1 21 PHE H . . 3.500 3.566 3.555 3.598 0.098 15 0 "[ . 1 .]" 1
5 1 21 PHE H 1 21 PHE HB2 . . 3.070 2.114 2.077 2.290 . 0 0 "[ . 1 .]" 1
6 1 18 GLY H 1 19 PHE H . . 3.880 2.712 2.697 2.717 . 0 0 "[ . 1 .]" 1
7 1 17 ILE H 1 18 GLY H . . 4.230 2.682 2.627 2.696 . 0 0 "[ . 1 .]" 1
8 1 18 GLY H 1 19 PHE HA . . 5.480 5.309 5.298 5.313 . 0 0 "[ . 1 .]" 1
9 1 17 ILE HB 1 18 GLY H . . 4.930 2.970 2.522 3.897 . 0 0 "[ . 1 .]" 1
10 1 15 GLY H 1 16 VAL H . . 4.060 2.629 2.609 2.652 . 0 0 "[ . 1 .]" 1
11 1 15 GLY H 1 17 ILE H . . 5.440 4.226 4.119 4.289 . 0 0 "[ . 1 .]" 1
12 1 15 GLY H 1 18 GLY H . . 5.460 4.700 4.593 4.735 . 0 0 "[ . 1 .]" 1
13 1 14 GLY HA2 1 15 GLY H . . 3.370 3.532 3.518 3.536 0.166 7 0 "[ . 1 .]" 1
14 1 13 ALA HA 1 15 GLY H . . 4.280 4.391 4.305 4.424 0.144 11 0 "[ . 1 .]" 1
15 1 13 ALA MB 1 14 GLY H . . 4.160 2.556 2.489 2.669 . 0 0 "[ . 1 .]" 1
16 1 3 GLN HA 1 4 SER H . . 3.200 2.524 2.140 3.121 . 0 0 "[ . 1 .]" 1
17 1 18 GLY HA2 1 20 LEU H . . 4.610 4.531 4.519 4.558 . 0 0 "[ . 1 .]" 1
18 1 19 PHE HB2 1 20 LEU H . . 3.730 3.012 2.765 3.683 . 0 0 "[ . 1 .]" 1
19 1 32 ARG H 1 33 MET H . . 3.790 2.701 2.669 2.790 . 0 0 "[ . 1 .]" 1
20 1 24 PHE H 1 25 LEU H . . 3.600 2.595 2.552 2.605 . 0 0 "[ . 1 .]" 1
21 1 29 LEU H 1 30 VAL H . . 3.900 2.685 2.671 2.711 . 0 0 "[ . 1 .]" 1
22 1 23 ILE H 1 24 PHE H . . 3.610 2.602 2.583 2.613 . 0 0 "[ . 1 .]" 1
23 1 21 PHE HA 1 24 PHE H . . 4.220 3.494 3.484 3.503 . 0 0 "[ . 1 .]" 1
24 1 24 PHE H 1 24 PHE HB2 . . 3.100 2.270 2.076 2.627 . 0 0 "[ . 1 .]" 1
25 1 31 TYR H 1 33 MET H . . 4.290 4.076 3.919 4.205 . 0 0 "[ . 1 .]" 1
26 1 13 ALA H 1 13 ALA MB . . 2.940 2.182 2.029 2.235 . 0 0 "[ . 1 .]" 1
27 1 1 MET HA 1 2 GLU H . . 2.980 2.329 2.145 2.638 . 0 0 "[ . 1 .]" 1
28 1 2 GLU H 1 2 GLU HB2 . . 2.820 2.577 2.315 3.029 0.209 11 0 "[ . 1 .]" 1
29 1 6 GLU H 1 7 VAL H . . 3.830 2.781 2.773 2.800 . 0 0 "[ . 1 .]" 1
30 1 19 PHE H 1 21 PHE H . . 5.500 4.089 4.066 4.100 . 0 0 "[ . 1 .]" 1
31 1 19 PHE H 1 19 PHE HB2 . . 4.070 2.176 2.105 2.328 . 0 0 "[ . 1 .]" 1
32 1 13 ALA HA 1 16 VAL H . . 4.250 3.633 3.600 3.696 . 0 0 "[ . 1 .]" 1
33 1 2 GLU HA 1 3 GLN H . . 3.430 3.044 2.179 3.555 0.125 14 0 "[ . 1 .]" 1
34 1 4 SER HA 1 5 THR H . . 3.530 3.012 2.323 3.532 0.002 11 0 "[ . 1 .]" 1
35 1 10 ALA H 1 11 VAL H . . 3.920 2.686 2.610 2.737 . 0 0 "[ . 1 .]" 1
36 1 11 VAL H 1 12 ILE H . . 4.470 2.690 2.634 2.714 . 0 0 "[ . 1 .]" 1
37 1 4 SER H 1 5 THR H . . 3.660 2.672 2.088 3.286 . 0 0 "[ . 1 .]" 1
38 1 16 VAL H 1 17 ILE H . . 3.840 2.671 2.634 2.697 . 0 0 "[ . 1 .]" 1
39 1 33 MET H 1 34 ARG H . . 4.050 2.600 2.576 2.648 . 0 0 "[ . 1 .]" 1
40 1 32 ARG H 1 34 ARG H . . 5.500 3.985 3.927 4.034 . 0 0 "[ . 1 .]" 1
41 1 31 TYR HA 1 34 ARG H . . 5.390 3.494 3.431 3.566 . 0 0 "[ . 1 .]" 1
42 1 32 ARG HA 1 34 ARG H . . 4.430 3.865 3.802 3.910 . 0 0 "[ . 1 .]" 1
43 1 5 THR H 1 7 VAL H . . 5.500 4.397 4.344 4.418 . 0 0 "[ . 1 .]" 1
44 1 7 VAL H 1 9 ALA H . . 5.500 4.208 4.179 4.227 . 0 0 "[ . 1 .]" 1
45 1 5 THR HA 1 7 VAL H . . 4.640 4.584 4.512 4.704 0.064 7 0 "[ . 1 .]" 1
46 1 19 PHE HA 1 23 ILE H . . 5.500 4.066 4.041 4.080 . 0 0 "[ . 1 .]" 1
47 1 23 ILE H 1 24 PHE HA . . 5.500 5.222 5.207 5.232 . 0 0 "[ . 1 .]" 1
48 1 20 LEU HA 1 23 ILE H . . 4.470 3.663 3.648 3.693 . 0 0 "[ . 1 .]" 1
49 1 22 ALA MB 1 23 ILE H . . 3.220 2.613 2.585 2.630 . 0 0 "[ . 1 .]" 1
50 1 22 ALA HA 1 24 PHE H . . 4.260 4.384 4.350 4.401 0.141 7 0 "[ . 1 .]" 1
51 1 27 LEU H 1 28 LEU H . . 3.860 2.682 2.676 2.687 . 0 0 "[ . 1 .]" 1
52 1 26 ILE H 1 27 LEU H . . 3.780 2.684 2.665 2.691 . 0 0 "[ . 1 .]" 1
53 1 28 LEU H 1 29 LEU H . . 4.070 2.663 2.636 2.677 . 0 0 "[ . 1 .]" 1
54 1 6 GLU HA 1 9 ALA H . . 4.490 3.666 3.589 3.767 . 0 0 "[ . 1 .]" 1
55 1 25 LEU H 1 26 ILE H . . 4.030 2.630 2.624 2.650 . 0 0 "[ . 1 .]" 1
56 1 23 ILE HA 1 25 LEU H . . 4.580 4.415 4.374 4.429 . 0 0 "[ . 1 .]" 1
57 1 24 PHE HB2 1 25 LEU H . . 5.420 3.468 2.973 3.939 . 0 0 "[ . 1 .]" 1
58 1 24 PHE HA 1 26 ILE H . . 4.640 4.545 4.522 4.612 . 0 0 "[ . 1 .]" 1
59 1 7 VAL H 1 8 LEU H . . 3.420 2.694 2.647 2.730 . 0 0 "[ . 1 .]" 1
60 1 12 ILE H 1 13 ALA H . . 3.880 2.719 2.662 2.748 . 0 0 "[ . 1 .]" 1
61 1 8 LEU H 1 9 ALA H . . 4.210 2.703 2.696 2.714 . 0 0 "[ . 1 .]" 1
62 1 9 ALA H 1 10 ALA H . . 4.530 2.690 2.649 2.715 . 0 0 "[ . 1 .]" 1
63 1 9 ALA MB 1 10 ALA H . . 3.510 2.545 2.489 2.705 . 0 0 "[ . 1 .]" 1
64 1 21 PHE H 1 22 ALA H . . 3.670 2.606 2.588 2.616 . 0 0 "[ . 1 .]" 1
65 1 22 ALA H 1 23 ILE H . . 3.440 2.711 2.702 2.723 . 0 0 "[ . 1 .]" 1
66 1 20 LEU H 1 22 ALA H . . 5.500 4.180 4.171 4.183 . 0 0 "[ . 1 .]" 1
67 1 19 PHE HA 1 22 ALA H . . 5.230 3.516 3.500 3.530 . 0 0 "[ . 1 .]" 1
68 1 21 PHE HB2 1 22 ALA H . . 3.640 3.254 3.061 3.617 . 0 0 "[ . 1 .]" 1
69 1 21 PHE H 1 22 ALA MB . . 4.280 4.186 4.171 4.195 . 0 0 "[ . 1 .]" 1
70 1 3 GLN HB3 1 4 SER H . . 3.700 2.690 2.018 3.818 0.118 15 0 "[ . 1 .]" 1
71 1 20 LEU H 1 22 ALA MB . . 4.670 4.799 4.794 4.802 0.132 13 0 "[ . 1 .]" 1
72 1 32 ARG H 1 34 ARG HB2 . . 5.280 5.021 4.922 5.147 . 0 0 "[ . 1 .]" 1
73 1 29 LEU HB2 1 30 VAL H . . 3.910 3.256 2.598 3.866 . 0 0 "[ . 1 .]" 1
74 1 24 PHE H 1 25 LEU HB2 . . 5.500 4.447 4.358 4.629 . 0 0 "[ . 1 .]" 1
75 1 22 ALA MB 1 24 PHE H . . 4.690 4.449 4.403 4.477 . 0 0 "[ . 1 .]" 1
76 1 31 TYR H 1 34 ARG HB2 . . 5.280 5.105 4.978 5.249 . 0 0 "[ . 1 .]" 1
77 1 31 TYR H 1 33 MET HB2 . . 5.500 5.084 4.770 5.437 . 0 0 "[ . 1 .]" 1
78 1 2 GLU H 1 3 GLN H . . 4.540 2.765 1.895 3.930 . 0 0 "[ . 1 .]" 1
79 1 2 GLU H 1 3 GLN HB2 . . 4.250 4.091 3.659 4.415 0.165 11 0 "[ . 1 .]" 1
80 1 2 GLU H 1 2 GLU HB3 . . 3.970 3.356 2.730 3.795 . 0 0 "[ . 1 .]" 1
81 1 6 GLU H 1 6 GLU HB2 . . 3.780 2.255 2.062 2.609 . 0 0 "[ . 1 .]" 1
82 1 6 GLU H 1 9 ALA MB . . 5.500 4.710 4.648 4.756 . 0 0 "[ . 1 .]" 1
83 1 19 PHE H 1 22 ALA MB . . 5.400 4.662 4.657 4.667 . 0 0 "[ . 1 .]" 1
84 1 16 VAL H 1 16 VAL HB . . 3.840 2.636 2.516 3.606 . 0 0 "[ . 1 .]" 1
85 1 13 ALA MB 1 16 VAL H . . 5.430 4.751 4.719 4.814 . 0 0 "[ . 1 .]" 1
86 1 3 GLN H 1 3 GLN HB2 . . 3.380 2.683 2.071 3.352 . 0 0 "[ . 1 .]" 1
87 1 33 MET H 1 34 ARG HB2 . . 4.720 4.479 4.387 4.629 . 0 0 "[ . 1 .]" 1
88 1 11 VAL H 1 11 VAL HB . . 2.800 2.560 2.514 2.634 . 0 0 "[ . 1 .]" 1
89 1 3 GLN HB3 1 5 THR H . . 5.330 3.971 2.186 5.330 . 0 0 "[ . 1 .]" 1
90 1 5 THR H 1 6 GLU HB2 . . 5.500 4.784 4.489 5.175 . 0 0 "[ . 1 .]" 1
91 1 11 VAL H 1 12 ILE HA . . 5.500 5.293 5.249 5.312 . 0 0 "[ . 1 .]" 1
92 1 33 MET H 1 33 MET HB2 . . 3.290 2.139 2.065 2.290 . 0 0 "[ . 1 .]" 1
93 1 9 ALA MB 1 11 VAL H . . 4.890 4.597 4.540 4.720 . 0 0 "[ . 1 .]" 1
94 1 10 ALA MB 1 11 VAL H . . 3.360 2.557 2.348 2.726 . 0 0 "[ . 1 .]" 1
95 1 16 VAL HB 1 17 ILE H . . 4.070 2.729 2.421 3.913 . 0 0 "[ . 1 .]" 1
96 1 33 MET HB2 1 34 ARG H . . 4.620 3.467 3.117 3.890 . 0 0 "[ . 1 .]" 1
97 1 6 GLU HB2 1 7 VAL H . . 4.240 3.193 2.484 3.826 . 0 0 "[ . 1 .]" 1
98 1 7 VAL H 1 8 LEU HB2 . . 5.500 4.537 4.461 4.618 . 0 0 "[ . 1 .]" 1
99 1 30 VAL H 1 33 MET HB2 . . 5.360 4.984 4.705 5.248 . 0 0 "[ . 1 .]" 1
100 1 27 LEU HB2 1 28 LEU H . . 3.370 3.034 2.691 3.456 0.086 11 0 "[ . 1 .]" 1
101 1 28 LEU H 1 28 LEU HB2 . . 3.320 2.174 2.044 2.438 . 0 0 "[ . 1 .]" 1
102 1 27 LEU H 1 27 LEU HB2 . . 3.520 2.099 2.044 2.258 . 0 0 "[ . 1 .]" 1
103 1 29 LEU H 1 29 LEU HB2 . . 2.810 2.175 2.047 2.562 . 0 0 "[ . 1 .]" 1
104 1 8 LEU HB2 1 9 ALA H . . 3.490 2.943 2.622 3.356 . 0 0 "[ . 1 .]" 1
105 1 9 ALA H 1 9 ALA MB . . 3.280 2.210 2.086 2.236 . 0 0 "[ . 1 .]" 1
106 1 25 LEU H 1 25 LEU HB2 . . 3.680 2.109 2.049 2.320 . 0 0 "[ . 1 .]" 1
107 1 22 ALA MB 1 25 LEU H . . 4.667 4.665 4.626 4.680 0.013 9 0 "[ . 1 .]" 1
108 1 26 ILE HB 1 27 LEU H . . 4.010 2.732 2.513 3.909 . 0 0 "[ . 1 .]" 1
109 1 26 ILE H 1 27 LEU HB2 . . 4.910 4.513 4.472 4.622 . 0 0 "[ . 1 .]" 1
110 1 5 THR H 1 6 GLU H . . 4.190 2.765 2.653 2.833 . 0 0 "[ . 1 .]" 1
111 1 26 ILE H 1 26 ILE HB . . 3.240 2.483 2.215 2.637 . 0 0 "[ . 1 .]" 1
112 1 7 VAL HB 1 8 LEU H . . 4.280 3.040 2.519 3.950 . 0 0 "[ . 1 .]" 1
113 1 11 VAL HB 1 12 ILE H . . 4.600 2.789 2.398 3.922 . 0 0 "[ . 1 .]" 1
114 1 8 LEU H 1 8 LEU HB2 . . 3.130 2.119 2.044 2.284 . 0 0 "[ . 1 .]" 1
115 1 10 ALA H 1 10 ALA MB . . 3.250 2.118 2.027 2.201 . 0 0 "[ . 1 .]" 1
116 1 22 ALA H 1 24 PHE H . . 4.570 4.039 3.984 4.071 . 0 0 "[ . 1 .]" 1
117 1 22 ALA H 1 22 ALA MB . . 3.050 2.081 2.079 2.083 . 0 0 "[ . 1 .]" 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 50
_Distance_constraint_stats_list.Viol_count 404
_Distance_constraint_stats_list.Viol_total 284.428
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0340
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0253
_Distance_constraint_stats_list.Viol_average_violations_only 0.0469
_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 4 SER 0.351 0.042 13 0 "[ . 1 .]"
1 5 THR 0.000 0.000 . 0 "[ . 1 .]"
1 6 GLU 1.597 0.132 15 0 "[ . 1 .]"
1 7 VAL 0.767 0.081 11 0 "[ . 1 .]"
1 8 LEU 0.577 0.042 13 0 "[ . 1 .]"
1 9 ALA 0.134 0.024 2 0 "[ . 1 .]"
1 10 ALA 1.874 0.132 15 0 "[ . 1 .]"
1 11 VAL 2.274 0.140 14 0 "[ . 1 .]"
1 12 ILE 1.535 0.082 13 0 "[ . 1 .]"
1 13 ALA 1.474 0.083 14 0 "[ . 1 .]"
1 14 GLY 0.973 0.085 15 0 "[ . 1 .]"
1 15 GLY 1.940 0.140 14 0 "[ . 1 .]"
1 16 VAL 2.373 0.103 15 0 "[ . 1 .]"
1 17 ILE 2.526 0.089 9 0 "[ . 1 .]"
1 18 GLY 0.968 0.085 15 0 "[ . 1 .]"
1 19 PHE 1.441 0.062 15 0 "[ . 1 .]"
1 20 LEU 2.988 0.131 15 0 "[ . 1 .]"
1 21 PHE 1.282 0.089 9 0 "[ . 1 .]"
1 22 ALA 2.148 0.107 10 0 "[ . 1 .]"
1 23 ILE 1.691 0.084 11 0 "[ . 1 .]"
1 24 PHE 3.031 0.131 15 0 "[ . 1 .]"
1 25 LEU 1.028 0.080 6 0 "[ . 1 .]"
1 26 ILE 1.876 0.107 10 0 "[ . 1 .]"
1 27 LEU 0.843 0.084 11 0 "[ . 1 .]"
1 28 LEU 1.123 0.087 4 0 "[ . 1 .]"
1 29 LEU 0.933 0.080 6 0 "[ . 1 .]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 31 TYR 0.161 0.026 12 0 "[ . 1 .]"
1 32 ARG 0.016 0.014 12 0 "[ . 1 .]"
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 4 SER O 1 8 LEU H . . 2.000 1.987 1.833 2.042 0.042 13 0 "[ . 1 .]" 2
2 1 4 SER O 1 8 LEU N . . 3.000 2.930 2.758 3.002 0.002 13 0 "[ . 1 .]" 2
3 1 5 THR O 1 9 ALA H . . 2.000 1.888 1.811 1.957 . 0 0 "[ . 1 .]" 2
4 1 5 THR O 1 9 ALA N . . 3.000 2.828 2.743 2.894 . 0 0 "[ . 1 .]" 2
5 1 6 GLU O 1 10 ALA H . . 2.000 2.091 2.067 2.132 0.132 15 0 "[ . 1 .]" 2
6 1 6 GLU O 1 10 ALA N . . 3.000 3.012 2.982 3.040 0.040 8 0 "[ . 1 .]" 2
7 1 7 VAL O 1 11 VAL H . . 2.000 2.046 2.017 2.081 0.081 11 0 "[ . 1 .]" 2
8 1 7 VAL O 1 11 VAL N . . 3.000 2.987 2.938 3.028 0.028 5 0 "[ . 1 .]" 2
9 1 8 LEU O 1 12 ILE H . . 2.000 1.981 1.814 2.035 0.035 7 0 "[ . 1 .]" 2
10 1 8 LEU O 1 12 ILE N . . 3.000 2.929 2.742 2.994 . 0 0 "[ . 1 .]" 2
11 1 9 ALA O 1 13 ALA H . . 2.000 1.969 1.862 2.024 0.024 2 0 "[ . 1 .]" 2
12 1 9 ALA O 1 13 ALA N . . 3.000 2.913 2.793 2.983 . 0 0 "[ . 1 .]" 2
13 1 10 ALA O 1 14 GLY H . . 2.000 2.017 1.991 2.063 0.063 15 0 "[ . 1 .]" 2
14 1 10 ALA O 1 14 GLY N . . 3.000 2.941 2.917 2.983 . 0 0 "[ . 1 .]" 2
15 1 11 VAL O 1 15 GLY H . . 2.000 2.093 2.071 2.140 0.140 14 0 "[ . 1 .]" 2
16 1 11 VAL O 1 15 GLY N . . 3.000 2.983 2.936 3.032 0.032 14 0 "[ . 1 .]" 2
17 1 12 ILE O 1 16 VAL H . . 2.000 2.071 2.062 2.082 0.082 13 0 "[ . 1 .]" 2
18 1 12 ILE O 1 16 VAL N . . 3.000 3.016 2.999 3.035 0.035 15 0 "[ . 1 .]" 2
19 1 13 ALA O 1 17 ILE H . . 2.000 2.064 2.038 2.083 0.083 14 0 "[ . 1 .]" 2
20 1 13 ALA O 1 17 ILE N . . 3.000 3.024 2.978 3.048 0.048 14 0 "[ . 1 .]" 2
21 1 14 GLY O 1 18 GLY H . . 2.000 2.046 2.022 2.085 0.085 15 0 "[ . 1 .]" 2
22 1 14 GLY O 1 18 GLY N . . 3.000 2.957 2.922 2.977 . 0 0 "[ . 1 .]" 2
23 1 15 GLY O 1 19 PHE H . . 2.000 2.029 2.010 2.062 0.062 15 0 "[ . 1 .]" 2
24 1 15 GLY O 1 19 PHE N . . 3.000 2.951 2.926 2.996 . 0 0 "[ . 1 .]" 2
25 1 16 VAL O 1 20 LEU H . . 2.000 2.064 2.048 2.103 0.103 15 0 "[ . 1 .]" 2
26 1 16 VAL O 1 20 LEU N . . 3.000 2.998 2.976 3.042 0.042 15 0 "[ . 1 .]" 2
27 1 17 ILE O 1 21 PHE H . . 2.000 2.079 2.071 2.089 0.089 9 0 "[ . 1 .]" 2
28 1 17 ILE O 1 21 PHE N . . 3.000 2.977 2.960 2.984 . 0 0 "[ . 1 .]" 2
29 1 18 GLY O 1 22 ALA H . . 2.000 2.018 2.009 2.027 0.027 15 0 "[ . 1 .]" 2
30 1 18 GLY O 1 22 ALA N . . 3.000 2.948 2.942 2.956 . 0 0 "[ . 1 .]" 2
31 1 19 PHE O 1 23 ILE H . . 2.000 2.057 2.050 2.062 0.062 5 0 "[ . 1 .]" 2
32 1 19 PHE O 1 23 ILE N . . 3.000 3.010 3.001 3.016 0.016 6 0 "[ . 1 .]" 2
33 1 20 LEU O 1 24 PHE H . . 2.000 2.126 2.115 2.131 0.131 15 0 "[ . 1 .]" 2
34 1 20 LEU O 1 24 PHE N . . 3.000 2.993 2.962 3.006 0.006 8 0 "[ . 1 .]" 2
35 1 21 PHE O 1 25 LEU H . . 2.000 2.003 1.960 2.019 0.019 1 0 "[ . 1 .]" 2
36 1 21 PHE O 1 25 LEU N . . 3.000 2.913 2.856 2.931 . 0 0 "[ . 1 .]" 2
37 1 22 ALA O 1 26 ILE H . . 2.000 2.091 2.077 2.107 0.107 10 0 "[ . 1 .]" 2
38 1 22 ALA O 1 26 ILE N . . 3.000 3.034 3.014 3.063 0.063 6 0 "[ . 1 .]" 2
39 1 23 ILE O 1 27 LEU H . . 2.000 2.045 2.023 2.084 0.084 11 0 "[ . 1 .]" 2
40 1 23 ILE O 1 27 LEU N . . 3.000 2.984 2.959 3.006 0.006 11 0 "[ . 1 .]" 2
41 1 24 PHE O 1 28 LEU H . . 2.000 2.074 2.059 2.087 0.087 4 0 "[ . 1 .]" 2
42 1 24 PHE O 1 28 LEU N . . 3.000 2.986 2.971 2.998 . 0 0 "[ . 1 .]" 2
43 1 25 LEU O 1 29 LEU H . . 2.000 2.062 2.055 2.080 0.080 6 0 "[ . 1 .]" 2
44 1 25 LEU O 1 29 LEU N . . 3.000 2.980 2.964 3.008 0.008 6 0 "[ . 1 .]" 2
45 1 26 ILE O 1 30 VAL H . . 2.000 1.989 1.974 1.996 . 0 0 "[ . 1 .]" 2
46 1 26 ILE O 1 30 VAL N . . 3.000 2.944 2.932 2.967 . 0 0 "[ . 1 .]" 2
47 1 27 LEU O 1 31 TYR H . . 2.000 2.011 2.006 2.026 0.026 12 0 "[ . 1 .]" 2
48 1 27 LEU O 1 31 TYR N . . 3.000 2.922 2.850 2.960 . 0 0 "[ . 1 .]" 2
49 1 28 LEU O 1 32 ARG H . . 2.000 1.947 1.870 2.014 0.014 12 0 "[ . 1 .]" 2
50 1 28 LEU O 1 32 ARG N . . 3.000 2.884 2.777 2.991 . 0 0 "[ . 1 .]" 2
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