NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636772 |
6hka   |
27167 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6hka
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 216
_Distance_constraint_stats_list.Viol_count 787
_Distance_constraint_stats_list.Viol_total 966.265
_Distance_constraint_stats_list.Viol_max 0.410
_Distance_constraint_stats_list.Viol_rms 0.0326
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.0614
_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 68 THR 1.119 0.184 13 0 "[ . 1 . 2]"
1 69 VAL 3.081 0.181 6 0 "[ . 1 . 2]"
1 70 LEU 1.158 0.184 13 0 "[ . 1 . 2]"
1 71 SER 2.156 0.153 5 0 "[ . 1 . 2]"
1 72 VAL 1.042 0.153 5 0 "[ . 1 . 2]"
1 73 GLY 0.290 0.093 14 0 "[ . 1 . 2]"
1 74 GLY 0.212 0.055 20 0 "[ . 1 . 2]"
1 75 GLN 2.079 0.122 19 0 "[ . 1 . 2]"
1 76 VAL 0.538 0.064 13 0 "[ . 1 . 2]"
1 77 ASN 1.470 0.118 5 0 "[ . 1 . 2]"
1 78 LEU 1.449 0.170 4 0 "[ . 1 . 2]"
1 79 LEU 1.804 0.171 18 0 "[ . 1 . 2]"
1 80 ILE 4.223 0.160 13 0 "[ . 1 . 2]"
1 81 GLN 5.524 0.410 16 0 "[ . 1 . 2]"
1 82 GLN 1.453 0.117 1 0 "[ . 1 . 2]"
1 83 ALA 1.783 0.158 20 0 "[ . 1 . 2]"
1 84 ILE 2.363 0.259 2 0 "[ . 1 . 2]"
1 85 ASP 0.986 0.259 2 0 "[ . 1 . 2]"
1 86 PRO 0.606 0.066 13 0 "[ . 1 . 2]"
1 87 LYS 0.805 0.075 10 0 "[ . 1 . 2]"
1 88 ASN 1.225 0.066 13 0 "[ . 1 . 2]"
1 89 LEU 0.120 0.025 19 0 "[ . 1 . 2]"
1 90 SER 2.330 0.156 15 0 "[ . 1 . 2]"
1 91 ARG 1.284 0.105 16 0 "[ . 1 . 2]"
1 92 LEU 0.648 0.084 8 0 "[ . 1 . 2]"
1 93 PHE 0.913 0.106 20 0 "[ . 1 . 2]"
1 94 PRO 0.264 0.073 16 0 "[ . 1 . 2]"
1 95 GLY 0.464 0.075 8 0 "[ . 1 . 2]"
1 96 TRP 1.897 0.158 14 0 "[ . 1 . 2]"
1 97 LYS 4.526 0.256 18 0 "[ . 1 . 2]"
1 98 ALA 11.951 0.256 18 0 "[ . 1 . 2]"
1 99 TRP 8.104 0.242 20 0 "[ . 1 . 2]"
1 100 VAL 2.516 0.106 18 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 68 THR H 1 68 THR HB 2.800 . 2.800 2.732 2.428 2.901 0.101 11 0 "[ . 1 . 2]" 1
2 1 68 THR H 1 68 THR MG 4.500 . 4.500 3.813 3.724 3.974 . 0 0 "[ . 1 . 2]" 1
3 1 68 THR MG 1 69 VAL H 2.800 . 2.800 2.177 1.779 2.898 0.098 14 0 "[ . 1 . 2]" 1
4 1 69 VAL H 1 69 VAL HA 2.800 . 2.800 2.905 2.806 2.981 0.181 6 0 "[ . 1 . 2]" 1
5 1 69 VAL H 1 69 VAL QG 2.800 . 2.800 2.137 1.731 2.613 0.069 9 0 "[ . 1 . 2]" 1
6 1 68 THR MG 1 70 LEU H 4.500 . 4.500 3.701 2.095 4.684 0.184 13 0 "[ . 1 . 2]" 1
7 1 69 VAL HA 1 70 LEU H 3.500 . 3.500 2.929 2.165 3.573 0.073 4 0 "[ . 1 . 2]" 1
8 1 69 VAL HB 1 70 LEU H 4.500 . 4.500 3.888 1.781 4.440 0.019 17 0 "[ . 1 . 2]" 1
9 1 70 LEU H 1 70 LEU HA 2.800 . 2.800 2.553 2.329 2.888 0.088 14 0 "[ . 1 . 2]" 1
10 1 70 LEU H 1 70 LEU QB 3.500 . 3.500 3.090 2.609 3.463 . 0 0 "[ . 1 . 2]" 1
11 1 70 LEU H 1 70 LEU MD2 2.800 . 2.800 2.570 2.052 2.870 0.070 14 0 "[ . 1 . 2]" 1
12 1 70 LEU H 1 70 LEU HG 2.800 . 2.800 2.319 1.773 2.806 0.027 14 0 "[ . 1 . 2]" 1
13 1 68 THR MG 1 71 SER H 4.500 . 4.500 3.437 2.294 4.595 0.095 11 0 "[ . 1 . 2]" 1
14 1 69 VAL HA 1 71 SER H 4.500 . 4.500 3.709 3.054 4.148 . 0 0 "[ . 1 . 2]" 1
15 1 69 VAL HB 1 71 SER H 5.500 . 5.500 4.445 3.115 5.602 0.102 4 0 "[ . 1 . 2]" 1
16 1 69 VAL H 1 71 SER H 3.500 . 3.500 3.074 2.334 3.570 0.070 8 0 "[ . 1 . 2]" 1
17 1 70 LEU HA 1 71 SER H 3.500 . 3.500 3.323 3.177 3.529 0.029 3 0 "[ . 1 . 2]" 1
18 1 70 LEU QB 1 71 SER H 3.500 . 3.500 3.284 2.560 3.540 0.040 13 0 "[ . 1 . 2]" 1
19 1 70 LEU MD2 1 71 SER H 5.500 . 5.500 4.473 4.267 4.638 . 0 0 "[ . 1 . 2]" 1
20 1 70 LEU HG 1 71 SER H 5.500 . 5.500 4.303 3.881 4.590 . 0 0 "[ . 1 . 2]" 1
21 1 71 SER H 1 71 SER HA 2.800 . 2.800 2.630 2.336 2.919 0.119 20 0 "[ . 1 . 2]" 1
22 1 71 SER H 1 71 SER QB 3.500 . 3.500 2.951 2.244 3.530 0.030 3 0 "[ . 1 . 2]" 1
23 1 71 SER H 1 72 VAL MG1 4.500 . 4.500 4.314 3.529 4.653 0.153 5 0 "[ . 1 . 2]" 1
24 1 71 SER HA 1 72 VAL H 2.800 . 2.800 2.115 2.100 2.167 . 0 0 "[ . 1 . 2]" 1
25 1 71 SER QB 1 72 VAL H 4.500 . 4.500 3.607 3.207 3.970 . 0 0 "[ . 1 . 2]" 1
26 1 71 SER H 1 72 VAL H . . 4.500 3.904 3.531 4.404 . 0 0 "[ . 1 . 2]" 1
27 1 72 VAL H 1 72 VAL MG1 4.500 . 4.500 2.037 1.778 2.402 0.022 8 0 "[ . 1 . 2]" 1
28 1 72 VAL H 1 72 VAL MG2 . . 2.800 1.901 1.767 2.220 0.033 11 0 "[ . 1 . 2]" 1
29 1 71 SER QB 1 73 GLY H 4.500 . 4.500 3.784 2.915 4.528 0.028 2 0 "[ . 1 . 2]" 1
30 1 72 VAL HB 1 73 GLY H 4.500 . 4.500 3.781 3.393 4.108 . 0 0 "[ . 1 . 2]" 1
31 1 72 VAL MG1 1 73 GLY H 4.500 . 4.500 3.810 3.687 3.932 . 0 0 "[ . 1 . 2]" 1
32 1 72 VAL MG2 1 73 GLY H 4.500 . 4.500 2.012 1.707 2.418 0.093 14 0 "[ . 1 . 2]" 1
33 1 72 VAL H 1 73 GLY H 3.500 . 3.500 2.556 2.186 2.949 . 0 0 "[ . 1 . 2]" 1
34 1 72 VAL HB 1 74 GLY H 5.500 . 5.500 4.828 4.640 5.081 . 0 0 "[ . 1 . 2]" 1
35 1 72 VAL MG2 1 74 GLY H 4.500 . 4.500 4.031 3.782 4.180 . 0 0 "[ . 1 . 2]" 1
36 1 73 GLY H 1 74 GLY H 3.500 . 3.500 2.833 2.744 2.906 . 0 0 "[ . 1 . 2]" 1
37 1 74 GLY H 1 74 GLY QA 2.800 . 2.800 2.260 2.243 2.280 . 0 0 "[ . 1 . 2]" 1
38 1 74 GLY QA 1 75 GLN QE 4.500 . 4.500 3.351 2.134 4.555 0.055 20 0 "[ . 1 . 2]" 1
39 1 74 GLY QA 1 75 GLN H 2.800 . 2.800 2.642 2.520 2.776 . 0 0 "[ . 1 . 2]" 1
40 1 74 GLY H 1 75 GLN H 2.800 . 2.800 2.685 2.457 2.845 0.045 6 0 "[ . 1 . 2]" 1
41 1 75 GLN H 1 75 GLN HA 2.800 . 2.800 2.893 2.847 2.922 0.122 19 0 "[ . 1 . 2]" 1
42 1 75 GLN H 1 75 GLN QB 2.800 . 2.800 2.282 2.231 2.360 . 0 0 "[ . 1 . 2]" 1
43 1 75 GLN H 1 75 GLN QG 3.500 . 3.500 3.264 2.574 3.503 0.003 14 0 "[ . 1 . 2]" 1
44 1 73 GLY QA 1 76 VAL H 5.500 . 5.500 3.446 3.189 3.803 . 0 0 "[ . 1 . 2]" 1
45 1 75 GLN HA 1 76 VAL H 4.500 . 4.500 3.509 3.360 3.572 . 0 0 "[ . 1 . 2]" 1
46 1 75 GLN QG 1 76 VAL H 5.500 . 5.500 4.515 4.245 4.733 . 0 0 "[ . 1 . 2]" 1
47 1 75 GLN H 1 76 VAL H 2.800 . 2.800 2.482 2.400 2.555 . 0 0 "[ . 1 . 2]" 1
48 1 76 VAL H 1 76 VAL HB 3.500 . 3.500 2.658 2.507 2.794 . 0 0 "[ . 1 . 2]" 1
49 1 76 VAL H 1 76 VAL MG1 4.500 . 4.500 3.767 3.738 3.800 . 0 0 "[ . 1 . 2]" 1
50 1 76 VAL H 1 76 VAL MG2 . . 2.800 1.880 1.788 2.317 0.012 10 0 "[ . 1 . 2]" 1
51 1 76 VAL HB 1 77 ASN H 3.500 . 3.500 2.261 2.096 2.481 . 0 0 "[ . 1 . 2]" 1
52 1 76 VAL QG 1 77 ASN H 4.500 . 4.500 3.087 2.885 3.214 . 0 0 "[ . 1 . 2]" 1
53 1 76 VAL H 1 77 ASN H 2.800 . 2.800 2.746 2.508 2.851 0.051 15 0 "[ . 1 . 2]" 1
54 1 77 ASN HA 1 77 ASN QD . . 3.500 2.807 1.841 3.563 0.063 6 0 "[ . 1 . 2]" 1
55 1 77 ASN H 1 77 ASN HA 2.800 . 2.800 2.826 2.804 2.852 0.052 14 0 "[ . 1 . 2]" 1
56 1 77 ASN H 1 77 ASN QB 2.800 . 2.800 2.267 2.160 2.297 . 0 0 "[ . 1 . 2]" 1
57 1 77 ASN H 1 77 ASN QD 5.500 . 5.500 4.148 2.247 4.639 . 0 0 "[ . 1 . 2]" 1
58 1 74 GLY QA 1 78 LEU H 5.500 . 5.500 3.927 3.574 4.219 . 0 0 "[ . 1 . 2]" 1
59 1 75 GLN HA 1 78 LEU H 4.500 . 4.500 3.541 3.364 3.814 . 0 0 "[ . 1 . 2]" 1
60 1 77 ASN H 1 78 LEU HA 5.500 . 5.500 5.395 5.274 5.456 . 0 0 "[ . 1 . 2]" 1
61 1 77 ASN HA 1 78 LEU H 4.500 . 4.500 3.529 3.360 3.581 . 0 0 "[ . 1 . 2]" 1
62 1 77 ASN QB 1 78 LEU H 3.500 . 3.500 2.726 2.160 3.618 0.118 5 0 "[ . 1 . 2]" 1
63 1 77 ASN H 1 78 LEU H 2.800 . 2.800 2.766 2.614 2.843 0.043 19 0 "[ . 1 . 2]" 1
64 1 78 LEU H 1 78 LEU QB 3.500 . 3.500 2.238 2.079 2.305 . 0 0 "[ . 1 . 2]" 1
65 1 78 LEU H 1 78 LEU MD1 4.500 . 4.500 3.924 2.062 4.208 . 0 0 "[ . 1 . 2]" 1
66 1 78 LEU H 1 78 LEU HG 4.500 . 4.500 4.409 4.163 4.513 0.013 1 0 "[ . 1 . 2]" 1
67 1 76 VAL HA 1 79 LEU H 3.500 . 3.500 3.353 3.105 3.564 0.064 13 0 "[ . 1 . 2]" 1
68 1 78 LEU QB 1 79 LEU H 4.500 . 4.500 2.589 1.974 2.844 . 0 0 "[ . 1 . 2]" 1
69 1 78 LEU H 1 79 LEU H 3.500 . 3.500 2.688 2.437 2.934 . 0 0 "[ . 1 . 2]" 1
70 1 79 LEU H 1 79 LEU HA 2.800 . 2.800 2.843 2.770 2.890 0.090 14 0 "[ . 1 . 2]" 1
71 1 79 LEU H 1 79 LEU QB 2.800 . 2.800 2.146 2.068 2.257 . 0 0 "[ . 1 . 2]" 1
72 1 79 LEU H 1 79 LEU QD 3.500 . 3.500 3.026 2.229 3.671 0.171 18 0 "[ . 1 . 2]" 1
73 1 77 ASN QD 1 80 ILE MG 5.500 . 5.500 3.257 1.792 4.667 0.008 19 0 "[ . 1 . 2]" 1
74 1 79 LEU H 1 80 ILE H 3.500 . 3.500 2.743 2.551 3.007 . 0 0 "[ . 1 . 2]" 1
75 1 80 ILE H 1 80 ILE HA 2.800 . 2.800 2.910 2.864 2.960 0.160 13 0 "[ . 1 . 2]" 1
76 1 80 ILE H 1 80 ILE MD 5.500 . 5.500 4.157 3.792 4.353 . 0 0 "[ . 1 . 2]" 1
77 1 80 ILE H 1 80 ILE QG 4.500 . 4.500 3.902 2.606 4.145 . 0 0 "[ . 1 . 2]" 1
78 1 77 ASN QD 1 81 GLN QG . . 4.500 3.552 2.380 4.524 0.024 8 0 "[ . 1 . 2]" 1
79 1 77 ASN HA 1 81 GLN H 5.500 . 5.500 4.208 3.710 4.645 . 0 0 "[ . 1 . 2]" 1
80 1 78 LEU HA 1 81 GLN H 3.500 . 3.500 3.536 3.314 3.670 0.170 4 0 "[ . 1 . 2]" 1
81 1 80 ILE MG 1 81 GLN QE 4.500 . 4.500 2.566 1.718 4.311 0.082 8 0 "[ . 1 . 2]" 1
82 1 80 ILE H 1 81 GLN QE 3.500 . 3.500 3.560 3.139 3.650 0.150 20 0 "[ . 1 . 2]" 1
83 1 80 ILE HB 1 81 GLN H 4.500 . 4.500 3.895 3.356 4.347 . 0 0 "[ . 1 . 2]" 1
84 1 80 ILE MG 1 81 GLN H 3.500 . 3.500 2.130 1.730 3.570 0.070 6 0 "[ . 1 . 2]" 1
85 1 80 ILE H 1 81 GLN H 3.500 . 3.500 2.543 2.385 2.720 . 0 0 "[ . 1 . 2]" 1
86 1 81 GLN QE 1 81 GLN QG . . 2.800 2.494 2.135 2.820 0.020 16 0 "[ . 1 . 2]" 1
87 1 81 GLN H 1 81 GLN QB 2.800 . 2.800 2.324 1.994 2.722 . 0 0 "[ . 1 . 2]" 1
88 1 81 GLN H 1 81 GLN QG . . 3.500 2.987 1.783 3.910 0.410 16 0 "[ . 1 . 2]" 1
89 1 81 GLN HA 1 82 GLN H 4.500 . 4.500 3.516 3.383 3.631 . 0 0 "[ . 1 . 2]" 1
90 1 81 GLN H 1 82 GLN H 3.500 . 3.500 2.634 2.218 2.947 . 0 0 "[ . 1 . 2]" 1
91 1 82 GLN HA 1 82 GLN QE 4.500 . 4.500 3.804 2.589 4.605 0.105 5 0 "[ . 1 . 2]" 1
92 1 82 GLN H 1 82 GLN QB 2.800 . 2.800 2.306 2.026 2.815 0.015 13 0 "[ . 1 . 2]" 1
93 1 82 GLN H 1 82 GLN QG 3.500 . 3.500 2.986 1.800 3.605 0.105 8 0 "[ . 1 . 2]" 1
94 1 80 ILE HA 1 83 ALA H 4.500 . 4.500 3.485 2.631 4.375 . 0 0 "[ . 1 . 2]" 1
95 1 82 GLN QE 1 83 ALA MB 4.500 . 4.500 3.804 1.766 4.617 0.117 1 0 "[ . 1 . 2]" 1
96 1 82 GLN H 1 83 ALA MB 4.500 . 4.500 4.122 3.886 4.436 . 0 0 "[ . 1 . 2]" 1
97 1 82 GLN QB 1 83 ALA H 3.500 . 3.500 3.006 2.099 3.589 0.089 19 0 "[ . 1 . 2]" 1
98 1 82 GLN QG 1 83 ALA H 5.500 . 5.500 2.943 1.803 4.627 . 0 0 "[ . 1 . 2]" 1
99 1 82 GLN H 1 83 ALA H 2.800 . 2.800 2.430 2.197 2.834 0.034 3 0 "[ . 1 . 2]" 1
100 1 83 ALA H 1 83 ALA HA 2.800 . 2.800 2.854 2.742 2.958 0.158 20 0 "[ . 1 . 2]" 1
101 1 83 ALA H 1 83 ALA MB 2.800 . 2.800 2.251 2.109 2.335 . 0 0 "[ . 1 . 2]" 1
102 1 81 GLN H 1 84 ILE QG 4.500 . 4.500 4.549 4.381 4.724 0.224 4 0 "[ . 1 . 2]" 1
103 1 83 ALA HA 1 84 ILE H 4.500 . 4.500 3.488 3.345 3.601 . 0 0 "[ . 1 . 2]" 1
104 1 83 ALA H 1 84 ILE H 3.500 . 3.500 2.755 2.236 3.248 . 0 0 "[ . 1 . 2]" 1
105 1 84 ILE H 1 84 ILE QG 3.500 . 3.500 2.159 1.751 2.806 0.049 15 0 "[ . 1 . 2]" 1
106 1 84 ILE HA 1 85 ASP H 3.500 . 3.500 3.098 2.297 3.572 0.072 7 0 "[ . 1 . 2]" 1
107 1 84 ILE MG 1 85 ASP H 5.500 . 5.500 3.902 3.116 4.447 . 0 0 "[ . 1 . 2]" 1
108 1 84 ILE H 1 85 ASP H 3.500 . 3.500 3.114 2.363 3.759 0.259 2 0 "[ . 1 . 2]" 1
109 1 85 ASP H 1 85 ASP QB 3.500 . 3.500 2.801 2.040 3.454 . 0 0 "[ . 1 . 2]" 1
110 1 86 PRO QB 1 87 LYS H 4.500 . 4.500 3.515 2.555 4.005 . 0 0 "[ . 1 . 2]" 1
111 1 86 PRO QD 1 87 LYS H 4.500 . 4.500 2.968 2.357 3.448 . 0 0 "[ . 1 . 2]" 1
112 1 86 PRO QG 1 87 LYS H 4.500 . 4.500 3.504 1.803 4.522 0.022 4 0 "[ . 1 . 2]" 1
113 1 87 LYS H 1 87 LYS HA 2.800 . 2.800 2.809 2.775 2.875 0.075 10 0 "[ . 1 . 2]" 1
114 1 87 LYS H 1 87 LYS QB 2.800 . 2.800 2.546 2.360 2.768 . 0 0 "[ . 1 . 2]" 1
115 1 87 LYS H 1 87 LYS QG 3.500 . 3.500 2.070 1.770 2.406 0.030 19 0 "[ . 1 . 2]" 1
116 1 86 PRO HA 1 88 ASN QD 5.500 . 5.500 2.745 1.793 4.421 0.007 20 0 "[ . 1 . 2]" 1
117 1 86 PRO HA 1 88 ASN H 3.500 . 3.500 3.435 3.096 3.550 0.050 19 0 "[ . 1 . 2]" 1
118 1 86 PRO QB 1 88 ASN H 5.500 . 5.500 4.543 4.249 4.788 . 0 0 "[ . 1 . 2]" 1
119 1 86 PRO QG 1 88 ASN H 5.500 . 5.500 5.259 4.294 5.566 0.066 13 0 "[ . 1 . 2]" 1
120 1 87 LYS QG 1 88 ASN QD 5.500 . 5.500 4.605 3.034 5.554 0.054 18 0 "[ . 1 . 2]" 1
121 1 87 LYS H 1 88 ASN QD 5.500 . 5.500 4.216 3.277 5.558 0.058 10 0 "[ . 1 . 2]" 1
122 1 87 LYS HA 1 88 ASN H 3.500 . 3.500 3.481 3.419 3.531 0.031 7 0 "[ . 1 . 2]" 1
123 1 87 LYS QB 1 88 ASN H 4.500 . 4.500 3.271 2.654 3.695 . 0 0 "[ . 1 . 2]" 1
124 1 87 LYS QG 1 88 ASN H 4.500 . 4.500 2.971 2.082 4.232 . 0 0 "[ . 1 . 2]" 1
125 1 87 LYS H 1 88 ASN H 2.800 . 2.800 2.747 2.511 2.835 0.035 13 0 "[ . 1 . 2]" 1
126 1 88 ASN H 1 88 ASN QB 3.500 . 3.500 2.511 2.073 2.977 . 0 0 "[ . 1 . 2]" 1
127 1 88 ASN H 1 88 ASN QD 5.500 . 5.500 2.463 1.748 3.695 0.052 17 0 "[ . 1 . 2]" 1
128 1 86 PRO HA 1 89 LEU H 3.500 . 3.500 3.308 2.872 3.514 0.014 11 0 "[ . 1 . 2]" 1
129 1 88 ASN QD 1 89 LEU HA 5.500 . 5.500 3.536 2.581 4.562 . 0 0 "[ . 1 . 2]" 1
130 1 88 ASN H 1 89 LEU QB 4.500 . 4.500 4.369 4.163 4.473 . 0 0 "[ . 1 . 2]" 1
131 1 88 ASN HA 1 89 LEU H 4.500 . 4.500 3.568 3.484 3.596 . 0 0 "[ . 1 . 2]" 1
132 1 88 ASN QB 1 89 LEU H 4.500 . 4.500 3.062 2.522 3.566 . 0 0 "[ . 1 . 2]" 1
133 1 89 LEU H 1 89 LEU QB 3.500 . 3.500 2.245 2.203 2.277 . 0 0 "[ . 1 . 2]" 1
134 1 89 LEU H 1 89 LEU QD 4.500 . 4.500 3.689 3.589 3.766 . 0 0 "[ . 1 . 2]" 1
135 1 89 LEU QB 1 90 SER H 4.500 . 4.500 2.746 2.194 3.072 . 0 0 "[ . 1 . 2]" 1
136 1 89 LEU QD 1 90 SER H 4.500 . 4.500 3.657 2.550 4.311 . 0 0 "[ . 1 . 2]" 1
137 1 89 LEU H 1 90 SER H 2.800 . 2.800 2.713 2.457 2.825 0.025 19 0 "[ . 1 . 2]" 1
138 1 90 SER H 1 90 SER HA 2.800 . 2.800 2.907 2.818 2.956 0.156 15 0 "[ . 1 . 2]" 1
139 1 90 SER H 1 90 SER QB 2.800 . 2.800 2.443 2.240 2.726 . 0 0 "[ . 1 . 2]" 1
140 1 88 ASN HA 1 91 ARG H 4.500 . 4.500 3.322 2.902 3.799 . 0 0 "[ . 1 . 2]" 1
141 1 89 LEU QB 1 91 ARG H 5.500 . 5.500 4.808 4.232 5.480 . 0 0 "[ . 1 . 2]" 1
142 1 90 SER QB 1 91 ARG H 3.500 . 3.500 2.949 1.936 3.549 0.049 9 0 "[ . 1 . 2]" 1
143 1 90 SER H 1 91 ARG H 3.500 . 3.500 2.495 2.246 2.794 . 0 0 "[ . 1 . 2]" 1
144 1 91 ARG H 1 91 ARG QB 2.800 . 2.800 2.277 2.204 2.468 . 0 0 "[ . 1 . 2]" 1
145 1 91 ARG H 1 91 ARG QD 4.500 . 4.500 4.272 3.656 4.605 0.105 16 0 "[ . 1 . 2]" 1
146 1 91 ARG H 1 91 ARG QG . . 4.500 3.584 2.289 4.090 . 0 0 "[ . 1 . 2]" 1
147 1 91 ARG QB 1 92 LEU H 3.500 . 3.500 2.751 2.221 3.487 . 0 0 "[ . 1 . 2]" 1
148 1 91 ARG H 1 92 LEU H . . 2.800 2.643 2.441 2.816 0.016 13 0 "[ . 1 . 2]" 1
149 1 92 LEU H 1 92 LEU QB 3.500 . 3.500 2.561 2.368 2.731 . 0 0 "[ . 1 . 2]" 1
150 1 92 LEU H 1 92 LEU QD 4.500 . 4.500 2.872 2.355 3.141 . 0 0 "[ . 1 . 2]" 1
151 1 92 LEU H 1 92 LEU HG 2.800 . 2.800 2.019 1.796 2.324 0.004 14 0 "[ . 1 . 2]" 1
152 1 91 ARG QB 1 93 PHE H 5.500 . 5.500 4.399 4.143 4.874 . 0 0 "[ . 1 . 2]" 1
153 1 91 ARG H 1 93 PHE H 4.500 . 4.500 4.100 3.636 4.592 0.092 13 0 "[ . 1 . 2]" 1
154 1 92 LEU H 1 93 PHE QD 5.500 . 5.500 4.421 3.793 5.545 0.045 13 0 "[ . 1 . 2]" 1
155 1 92 LEU HA 1 93 PHE H 3.500 . 3.500 3.390 3.197 3.551 0.051 13 0 "[ . 1 . 2]" 1
156 1 92 LEU QB 1 93 PHE H 3.500 . 3.500 3.111 2.724 3.554 0.054 1 0 "[ . 1 . 2]" 1
157 1 92 LEU HG 1 93 PHE H 4.500 . 4.500 4.373 4.040 4.584 0.084 8 0 "[ . 1 . 2]" 1
158 1 92 LEU H 1 93 PHE H 2.800 . 2.800 2.764 2.631 2.829 0.029 16 0 "[ . 1 . 2]" 1
159 1 93 PHE H 1 93 PHE QD 5.500 . 5.500 3.204 2.098 4.071 . 0 0 "[ . 1 . 2]" 1
160 1 93 PHE HA 1 95 GLY H 5.500 . 5.500 3.909 3.375 5.300 . 0 0 "[ . 1 . 2]" 1
161 1 94 PRO HA 1 95 GLY H 3.500 . 3.500 3.467 3.396 3.573 0.073 16 0 "[ . 1 . 2]" 1
162 1 94 PRO QB 1 95 GLY H . . 4.500 3.047 2.193 3.561 . 0 0 "[ . 1 . 2]" 1
163 1 94 PRO QD 1 95 GLY H 5.500 . 5.500 3.164 2.659 3.529 . 0 0 "[ . 1 . 2]" 1
164 1 94 PRO QG 1 95 GLY H 4.500 . 4.500 3.792 1.791 4.335 0.009 8 0 "[ . 1 . 2]" 1
165 1 95 GLY H 1 95 GLY QA 2.800 . 2.800 2.234 2.220 2.256 . 0 0 "[ . 1 . 2]" 1
166 1 91 ARG HA 1 96 TRP HE1 4.500 . 4.500 3.713 2.017 4.585 0.085 2 0 "[ . 1 . 2]" 1
167 1 91 ARG HA 1 96 TRP H 4.500 . 4.500 4.318 3.543 4.593 0.093 7 0 "[ . 1 . 2]" 1
168 1 93 PHE HA 1 96 TRP H 5.500 . 5.500 5.096 3.615 5.606 0.106 20 0 "[ . 1 . 2]" 1
169 1 93 PHE QB 1 96 TRP H 5.500 . 5.500 4.247 3.349 5.395 . 0 0 "[ . 1 . 2]" 1
170 1 94 PRO HA 1 96 TRP H 4.500 . 4.500 3.524 3.044 4.340 . 0 0 "[ . 1 . 2]" 1
171 1 95 GLY QA 1 96 TRP H 4.500 . 4.500 2.885 2.703 2.969 . 0 0 "[ . 1 . 2]" 1
172 1 95 GLY H 1 96 TRP H 3.500 . 3.500 2.857 2.624 3.148 . 0 0 "[ . 1 . 2]" 1
173 1 96 TRP HA 1 96 TRP HE1 4.500 . 4.500 4.182 3.415 4.522 0.022 4 0 "[ . 1 . 2]" 1
174 1 96 TRP H 1 96 TRP QB 3.500 . 3.500 2.400 2.193 2.658 . 0 0 "[ . 1 . 2]" 1
175 1 96 TRP H 1 96 TRP HD1 2.800 . 2.800 2.194 1.813 2.664 . 0 0 "[ . 1 . 2]" 1
176 1 96 TRP H 1 96 TRP HE1 5.500 . 5.500 4.349 3.908 4.844 . 0 0 "[ . 1 . 2]" 1
177 1 95 GLY H 1 97 LYS H 4.500 . 4.500 4.398 3.957 4.575 0.075 8 0 "[ . 1 . 2]" 1
178 1 96 TRP HA 1 97 LYS H 3.500 . 3.500 3.416 3.352 3.552 0.052 1 0 "[ . 1 . 2]" 1
179 1 96 TRP QB 1 97 LYS H 4.500 . 4.500 3.447 2.959 3.793 . 0 0 "[ . 1 . 2]" 1
180 1 96 TRP H 1 97 LYS H 3.500 . 3.500 2.611 2.392 2.848 . 0 0 "[ . 1 . 2]" 1
181 1 97 LYS H 1 97 LYS HA 2.800 . 2.800 2.840 2.788 2.886 0.086 16 0 "[ . 1 . 2]" 1
182 1 97 LYS H 1 97 LYS QB 2.800 . 2.800 2.488 2.173 2.732 . 0 0 "[ . 1 . 2]" 1
183 1 97 LYS H 1 97 LYS QE . . 3.500 3.407 2.611 3.703 0.203 1 0 "[ . 1 . 2]" 1
184 1 97 LYS H 1 97 LYS QG 2.800 . 2.800 2.089 1.754 2.828 0.046 12 0 "[ . 1 . 2]" 1
185 1 96 TRP HA 1 98 ALA H 3.500 . 3.500 3.294 3.151 3.467 . 0 0 "[ . 1 . 2]" 1
186 1 96 TRP QB 1 98 ALA H 4.500 . 4.500 4.476 4.314 4.579 0.079 6 0 "[ . 1 . 2]" 1
187 1 97 LYS HA 1 98 ALA H 3.500 . 3.500 3.391 3.335 3.482 . 0 0 "[ . 1 . 2]" 1
188 1 97 LYS QB 1 98 ALA H 3.500 . 3.500 3.445 3.205 3.756 0.256 18 0 "[ . 1 . 2]" 1
189 1 97 LYS QG 1 98 ALA H 4.500 . 4.500 3.567 2.494 4.578 0.078 17 0 "[ . 1 . 2]" 1
190 1 97 LYS H 1 98 ALA H 2.800 . 2.800 2.731 2.615 2.879 0.079 1 0 "[ . 1 . 2]" 1
191 1 98 ALA H 1 98 ALA HA 2.800 . 2.800 2.977 2.952 2.987 0.187 1 0 "[ . 1 . 2]" 1
192 1 98 ALA H 1 98 ALA MB 2.800 . 2.800 2.378 2.295 2.469 . 0 0 "[ . 1 . 2]" 1
193 1 96 TRP HA 1 99 TRP HE1 3.500 . 3.500 3.284 2.909 3.658 0.158 14 0 "[ . 1 . 2]" 1
194 1 96 TRP HA 1 99 TRP H 4.500 . 4.500 2.818 2.544 3.195 . 0 0 "[ . 1 . 2]" 1
195 1 97 LYS HA 1 99 TRP H 4.500 . 4.500 4.269 3.914 4.527 0.027 11 0 "[ . 1 . 2]" 1
196 1 98 ALA H 1 99 TRP HA 4.500 . 4.500 4.629 4.530 4.742 0.242 20 0 "[ . 1 . 2]" 1
197 1 98 ALA H 1 99 TRP HD1 3.500 . 3.500 3.216 2.405 3.557 0.057 19 0 "[ . 1 . 2]" 1
198 1 98 ALA MB 1 99 TRP HE1 3.500 . 3.500 3.451 3.148 3.566 0.066 14 0 "[ . 1 . 2]" 1
199 1 98 ALA H 1 99 TRP HE1 4.500 . 4.500 4.541 4.314 4.632 0.132 1 0 "[ . 1 . 2]" 1
200 1 98 ALA HA 1 99 TRP H . . 3.500 3.431 3.402 3.458 . 0 0 "[ . 1 . 2]" 1
201 1 98 ALA MB 1 99 TRP H 2.800 . 2.800 2.866 2.846 2.897 0.097 18 0 "[ . 1 . 2]" 1
202 1 98 ALA H 1 99 TRP H 2.800 . 2.800 1.926 1.783 2.079 0.017 4 0 "[ . 1 . 2]" 1
203 1 99 TRP HA 1 99 TRP HE1 4.500 . 4.500 4.280 3.917 4.513 0.013 4 0 "[ . 1 . 2]" 1
204 1 99 TRP H 1 99 TRP HA 2.800 . 2.800 2.878 2.859 2.907 0.107 1 0 "[ . 1 . 2]" 1
205 1 99 TRP H 1 99 TRP QB 2.800 . 2.800 2.498 2.374 2.649 . 0 0 "[ . 1 . 2]" 1
206 1 99 TRP H 1 99 TRP HE1 . . 4.500 4.113 3.911 4.237 . 0 0 "[ . 1 . 2]" 1
207 1 97 LYS HA 1 100 VAL H 4.500 . 4.500 4.291 3.770 4.555 0.055 18 0 "[ . 1 . 2]" 1
208 1 98 ALA MB 1 100 VAL H 4.500 . 4.500 4.287 4.085 4.530 0.030 3 0 "[ . 1 . 2]" 1
209 1 98 ALA H 1 100 VAL H 5.500 . 5.500 3.746 3.491 4.070 . 0 0 "[ . 1 . 2]" 1
210 1 99 TRP H 1 100 VAL QG 4.500 . 4.500 3.417 3.267 4.410 . 0 0 "[ . 1 . 2]" 1
211 1 99 TRP HA 1 100 VAL H 3.500 . 3.500 3.361 3.213 3.504 0.004 3 0 "[ . 1 . 2]" 1
212 1 99 TRP QB 1 100 VAL H 3.500 . 3.500 3.212 2.778 3.517 0.017 18 0 "[ . 1 . 2]" 1
213 1 99 TRP H 1 100 VAL H 2.800 . 2.800 2.582 2.479 2.791 . 0 0 "[ . 1 . 2]" 1
214 1 100 VAL H 1 100 VAL HA 2.800 . 2.800 2.806 2.762 2.846 0.046 3 0 "[ . 1 . 2]" 1
215 1 100 VAL H 1 100 VAL HB 3.500 . 3.500 3.508 1.926 3.606 0.106 18 0 "[ . 1 . 2]" 1
216 1 100 VAL H 1 100 VAL QG 2.800 . 2.800 1.833 1.763 2.805 0.037 7 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 17
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 29.662
_Distance_constraint_stats_list.Viol_max 0.152
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0530
_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 68 THR 0.026 0.019 11 0 "[ . 1 . 2]"
1 69 VAL 0.026 0.019 11 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 1.030 0.147 20 0 "[ . 1 . 2]"
1 74 GLY 1.030 0.147 20 0 "[ . 1 . 2]"
1 75 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASN 1.030 0.147 20 0 "[ . 1 . 2]"
1 80 ILE 0.396 0.152 6 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLN 0.211 0.152 6 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 0.230 0.152 6 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 SER 0.013 0.013 18 0 "[ . 1 . 2]"
1 91 ARG 0.013 0.013 18 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 TRP 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 68 THR HA 1 69 VAL H 2.800 . 2.800 2.178 1.781 2.463 0.019 11 0 "[ . 1 . 2]" 2
2 1 72 VAL HA 1 73 GLY H 2.800 . 2.800 2.213 2.206 2.221 . 0 0 "[ . 1 . 2]" 2
3 1 72 VAL MG2 1 74 GLY H 5.500 . 5.500 3.656 3.535 3.810 . 0 0 "[ . 1 . 2]" 2
4 1 72 VAL MG2 1 75 GLN H 5.500 . 5.500 3.519 3.446 3.631 . 0 0 "[ . 1 . 2]" 2
5 1 73 GLY QA 1 77 ASN H 2.800 . 2.800 2.846 2.752 2.947 0.147 20 0 "[ . 1 . 2]" 2
6 1 80 ILE H 1 80 ILE MD 2.800 . 2.800 2.256 1.750 2.814 0.050 7 0 "[ . 1 . 2]" 2
7 1 76 VAL HA 1 81 GLN H 5.500 . 5.500 3.537 3.432 3.622 . 0 0 "[ . 1 . 2]" 2
8 1 80 ILE MG 1 82 GLN H 4.500 . 4.500 4.213 3.767 4.652 0.152 6 0 "[ . 1 . 2]" 2
9 1 80 ILE MG 1 83 ALA H 5.500 . 5.500 4.612 3.995 5.063 . 0 0 "[ . 1 . 2]" 2
10 1 84 ILE H 1 84 ILE MD 4.500 . 4.500 2.663 1.781 3.620 0.019 8 0 "[ . 1 . 2]" 2
11 1 89 LEU H 1 89 LEU QB 2.800 . 2.800 2.239 2.198 2.271 . 0 0 "[ . 1 . 2]" 2
12 1 89 LEU QB 1 90 SER H 3.500 . 3.500 2.703 2.186 3.024 . 0 0 "[ . 1 . 2]" 2
13 1 90 SER HA 1 91 ARG H 2.800 . 2.800 2.758 2.708 2.813 0.013 18 0 "[ . 1 . 2]" 2
14 1 90 SER HA 1 92 LEU H 4.500 . 4.500 3.373 3.235 3.531 . 0 0 "[ . 1 . 2]" 2
15 1 90 SER HA 1 93 PHE H 4.500 . 4.500 3.234 3.106 3.580 . 0 0 "[ . 1 . 2]" 2
16 1 93 PHE QB 1 96 TRP H 2.800 . 2.800 2.382 2.175 2.641 . 0 0 "[ . 1 . 2]" 2
17 1 95 GLY QA 1 96 TRP H 2.800 . 2.800 2.563 2.462 2.617 . 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 89
_Distance_constraint_stats_list.Viol_count 208
_Distance_constraint_stats_list.Viol_total 330.729
_Distance_constraint_stats_list.Viol_max 0.433
_Distance_constraint_stats_list.Viol_rms 0.0369
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0795
_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 68 THR 0.230 0.108 9 0 "[ . 1 . 2]"
1 69 VAL 0.508 0.108 14 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 4.567 0.164 4 0 "[ . 1 . 2]"
1 72 VAL 4.589 0.164 4 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLN 2.453 0.193 7 0 "[ . 1 . 2]"
1 76 VAL 1.957 0.193 7 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.473 0.106 11 0 "[ . 1 . 2]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 1.327 0.139 4 0 "[ . 1 . 2]"
1 81 GLN 1.231 0.139 4 0 "[ . 1 . 2]"
1 82 GLN 0.672 0.170 12 0 "[ . 1 . 2]"
1 83 ALA 0.716 0.170 12 0 "[ . 1 . 2]"
1 84 ILE 4.725 0.391 13 0 "[ . 1 . 2]"
1 86 PRO 0.543 0.077 14 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASN 0.268 0.050 11 0 "[ . 1 . 2]"
1 89 LEU 0.554 0.077 14 0 "[ . 1 . 2]"
1 90 SER 0.006 0.006 9 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.256 0.112 13 0 "[ . 1 . 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.207 0.207 17 0 "[ . 1 . 2]"
1 98 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 VAL 0.917 0.433 9 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 68 THR HA 1 68 THR MG 2.800 . 2.800 2.299 2.222 2.405 . 0 0 "[ . 1 . 2]" 3
2 1 68 THR HA 1 69 VAL QG 3.500 . 3.500 3.335 3.021 3.608 0.108 9 0 "[ . 1 . 2]" 3
3 1 69 VAL HA 1 69 VAL HB . . 2.800 2.450 2.337 2.571 . 0 0 "[ . 1 . 2]" 3
4 1 69 VAL HA 1 69 VAL QG 2.800 . 2.800 2.317 2.197 2.492 . 0 0 "[ . 1 . 2]" 3
5 1 69 VAL H 1 69 VAL MG1 2.800 . 2.800 2.573 2.115 2.908 0.108 14 0 "[ . 1 . 2]" 3
6 1 70 LEU QB 1 70 LEU MD1 2.800 . 2.800 2.100 2.086 2.107 . 0 0 "[ . 1 . 2]" 3
7 1 70 LEU HA 1 70 LEU MD2 2.800 . 2.800 2.152 2.073 2.217 . 0 0 "[ . 1 . 2]" 3
8 1 70 LEU QB 1 70 LEU QD 2.800 . 2.800 1.937 1.920 1.956 . 0 0 "[ . 1 . 2]" 3
9 1 70 LEU QB 1 70 LEU MD2 2.800 . 2.800 2.273 2.213 2.366 . 0 0 "[ . 1 . 2]" 3
10 1 70 LEU HA 1 70 LEU HG 3.500 . 3.500 3.236 3.053 3.371 . 0 0 "[ . 1 . 2]" 3
11 1 71 SER HA 1 72 VAL HB 5.500 . 5.500 5.650 5.626 5.664 0.164 4 0 "[ . 1 . 2]" 3
12 1 71 SER HA 1 72 VAL MG1 3.500 . 3.500 3.532 3.490 3.568 0.068 4 0 "[ . 1 . 2]" 3
13 1 71 SER HA 1 72 VAL MG2 . . 3.500 3.545 3.515 3.592 0.092 7 0 "[ . 1 . 2]" 3
14 1 72 VAL HA 1 72 VAL MG1 2.800 . 2.800 2.394 2.323 2.418 . 0 0 "[ . 1 . 2]" 3
15 1 72 VAL HA 1 72 VAL MG2 . . 3.500 3.196 3.189 3.211 . 0 0 "[ . 1 . 2]" 3
16 1 72 VAL HA 1 73 GLY H 4.500 . 4.500 3.533 3.433 3.608 . 0 0 "[ . 1 . 2]" 3
17 1 72 VAL HA 1 75 GLN QG 5.500 . 5.500 4.835 3.758 5.523 0.023 4 0 "[ . 1 . 2]" 3
18 1 72 VAL HA 1 75 GLN H 5.500 . 5.500 3.365 2.925 3.751 . 0 0 "[ . 1 . 2]" 3
19 1 75 GLN HA 1 75 GLN QG 2.800 . 2.800 2.342 2.278 2.567 . 0 0 "[ . 1 . 2]" 3
20 1 75 GLN H 1 76 VAL MG2 3.500 . 3.500 3.598 3.541 3.693 0.193 7 0 "[ . 1 . 2]" 3
21 1 76 VAL HA 1 76 VAL MG1 3.500 . 3.500 2.283 2.233 2.345 . 0 0 "[ . 1 . 2]" 3
22 1 76 VAL HA 1 76 VAL MG2 . . 2.800 2.474 2.442 2.534 . 0 0 "[ . 1 . 2]" 3
23 1 75 GLN QG 1 78 LEU QB 5.500 . 5.500 4.047 3.865 4.371 . 0 0 "[ . 1 . 2]" 3
24 1 75 GLN HA 1 78 LEU MD2 3.500 . 3.500 3.005 2.346 3.330 . 0 0 "[ . 1 . 2]" 3
25 1 75 GLN QG 1 78 LEU MD2 3.500 . 3.500 3.524 3.500 3.606 0.106 11 0 "[ . 1 . 2]" 3
26 1 78 LEU QB 1 78 LEU MD1 2.800 . 2.800 2.274 2.176 2.417 . 0 0 "[ . 1 . 2]" 3
27 1 78 LEU HA 1 78 LEU QD 2.800 . 2.800 2.153 2.079 2.253 . 0 0 "[ . 1 . 2]" 3
28 1 78 LEU HA 1 78 LEU MD2 4.500 . 4.500 3.827 3.737 3.908 . 0 0 "[ . 1 . 2]" 3
29 1 78 LEU HA 1 78 LEU HG 3.500 . 3.500 3.063 2.366 3.403 . 0 0 "[ . 1 . 2]" 3
30 1 76 VAL HA 1 79 LEU QB 5.500 . 5.500 2.566 2.311 2.964 . 0 0 "[ . 1 . 2]" 3
31 1 79 LEU HA 1 79 LEU MD1 2.800 . 2.800 2.268 2.059 2.478 . 0 0 "[ . 1 . 2]" 3
32 1 79 LEU HA 1 79 LEU QD 2.800 . 2.800 2.205 1.955 2.443 . 0 0 "[ . 1 . 2]" 3
33 1 77 ASN HA 1 80 ILE MG 5.500 . 5.500 2.440 2.122 2.962 . 0 0 "[ . 1 . 2]" 3
34 1 79 LEU QB 1 80 ILE H 4.500 . 4.500 2.818 2.122 3.196 . 0 0 "[ . 1 . 2]" 3
35 1 80 ILE HA 1 80 ILE MG 3.500 . 3.500 3.140 2.537 3.201 . 0 0 "[ . 1 . 2]" 3
36 1 80 ILE H 1 80 ILE MG 3.500 . 3.500 2.272 1.752 2.850 0.048 7 0 "[ . 1 . 2]" 3
37 1 80 ILE MD 1 81 GLN HA 3.500 . 3.500 3.207 2.531 3.639 0.139 4 0 "[ . 1 . 2]" 3
38 1 80 ILE MD 1 81 GLN QG 4.500 . 4.500 4.254 3.611 4.624 0.124 13 0 "[ . 1 . 2]" 3
39 1 81 GLN HA 1 81 GLN QB 2.800 . 2.800 2.413 2.181 2.569 . 0 0 "[ . 1 . 2]" 3
40 1 81 GLN HA 1 81 GLN QE 4.500 . 4.500 3.741 2.238 4.557 0.057 13 0 "[ . 1 . 2]" 3
41 1 81 GLN QB 1 82 GLN H 5.500 . 5.500 2.979 2.270 3.755 . 0 0 "[ . 1 . 2]" 3
42 1 82 GLN HA 1 82 GLN QG 3.500 . 3.500 3.041 2.196 3.457 . 0 0 "[ . 1 . 2]" 3
43 1 80 ILE HA 1 83 ALA MB 3.500 . 3.500 2.717 2.212 3.527 0.027 20 0 "[ . 1 . 2]" 3
44 1 80 ILE H 1 83 ALA MB 5.500 . 5.500 4.656 4.320 5.481 . 0 0 "[ . 1 . 2]" 3
45 1 82 GLN QB 1 83 ALA HA 5.500 . 5.500 4.350 3.690 4.826 . 0 0 "[ . 1 . 2]" 3
46 1 82 GLN QG 1 83 ALA HA 5.500 . 5.500 4.094 2.899 5.670 0.170 12 0 "[ . 1 . 2]" 3
47 1 81 GLN HA 1 84 ILE QG 3.500 . 3.500 2.819 2.315 3.518 0.018 2 0 "[ . 1 . 2]" 3
48 1 83 ALA MB 1 84 ILE HB 5.500 . 5.500 5.042 4.538 5.401 . 0 0 "[ . 1 . 2]" 3
49 1 83 ALA MB 1 84 ILE H 3.500 . 3.500 2.685 1.914 3.159 . 0 0 "[ . 1 . 2]" 3
50 1 84 ILE HA 1 84 ILE MD . . 3.500 3.095 2.091 3.772 0.272 10 0 "[ . 1 . 2]" 3
51 1 84 ILE HB 1 84 ILE MD 3.500 . 3.500 2.694 2.164 3.242 . 0 0 "[ . 1 . 2]" 3
52 1 84 ILE HA 1 84 ILE MG . . 2.800 2.259 2.163 2.554 . 0 0 "[ . 1 . 2]" 3
53 1 84 ILE QG 1 84 ILE MG 2.800 . 2.800 2.235 2.068 2.496 . 0 0 "[ . 1 . 2]" 3
54 1 84 ILE H 1 84 ILE MG 3.500 . 3.500 3.524 2.612 3.891 0.391 13 0 "[ . 1 . 2]" 3
55 1 86 PRO HA 1 86 PRO QG 3.500 . 3.500 3.325 2.781 3.546 0.046 11 0 "[ . 1 . 2]" 3
56 1 87 LYS HA 1 87 LYS QB 2.800 . 2.800 2.261 2.189 2.452 . 0 0 "[ . 1 . 2]" 3
57 1 87 LYS HA 1 87 LYS QG 3.500 . 3.500 3.060 2.229 3.333 . 0 0 "[ . 1 . 2]" 3
58 1 86 PRO HA 1 89 LEU QB 5.500 . 5.500 3.293 2.724 3.630 . 0 0 "[ . 1 . 2]" 3
59 1 86 PRO HA 1 89 LEU QD 4.500 . 4.500 4.303 3.864 4.577 0.077 14 0 "[ . 1 . 2]" 3
60 1 88 ASN QD 1 89 LEU MD2 4.500 . 4.500 4.403 4.045 4.550 0.050 11 0 "[ . 1 . 2]" 3
61 1 89 LEU HA 1 89 LEU MD1 4.500 . 4.500 2.607 2.087 3.430 . 0 0 "[ . 1 . 2]" 3
62 1 89 LEU HA 1 89 LEU HG 3.500 . 3.500 2.797 2.383 3.271 . 0 0 "[ . 1 . 2]" 3
63 1 89 LEU H 1 89 LEU MD1 4.500 . 4.500 4.121 3.809 4.455 . 0 0 "[ . 1 . 2]" 3
64 1 89 LEU H 1 89 LEU MD2 4.500 . 4.500 4.212 3.861 4.384 . 0 0 "[ . 1 . 2]" 3
65 1 89 LEU H 1 89 LEU HG 5.500 . 5.500 4.475 4.438 4.501 . 0 0 "[ . 1 . 2]" 3
66 1 89 LEU HG 1 90 SER HA 4.500 . 4.500 4.047 3.518 4.506 0.006 9 0 "[ . 1 . 2]" 3
67 1 88 ASN HA 1 91 ARG QD 5.500 . 5.500 4.162 2.388 5.427 . 0 0 "[ . 1 . 2]" 3
68 1 91 ARG HA 1 91 ARG QB . . 2.800 2.397 2.187 2.528 . 0 0 "[ . 1 . 2]" 3
69 1 91 ARG QB 1 91 ARG QD . . 3.500 2.300 2.114 2.906 . 0 0 "[ . 1 . 2]" 3
70 1 91 ARG HA 1 91 ARG QG 3.500 . 3.500 2.477 2.251 3.416 . 0 0 "[ . 1 . 2]" 3
71 1 91 ARG QB 1 92 LEU HG 5.500 . 5.500 3.651 2.813 4.299 . 0 0 "[ . 1 . 2]" 3
72 1 92 LEU HA 1 92 LEU QD 2.800 . 2.800 2.150 2.089 2.213 . 0 0 "[ . 1 . 2]" 3
73 1 92 LEU HA 1 92 LEU MD2 2.800 . 2.800 2.162 2.099 2.226 . 0 0 "[ . 1 . 2]" 3
74 1 92 LEU HA 1 92 LEU HG 3.500 . 3.500 3.016 2.741 3.335 . 0 0 "[ . 1 . 2]" 3
75 1 92 LEU H 1 92 LEU MD2 3.500 . 3.500 3.149 2.390 3.612 0.112 13 0 "[ . 1 . 2]" 3
76 1 92 LEU HA 1 93 PHE HA 5.500 . 5.500 4.580 4.414 4.857 . 0 0 "[ . 1 . 2]" 3
77 1 93 PHE HA 1 94 PRO QG 5.500 . 5.500 4.317 4.008 5.366 . 0 0 "[ . 1 . 2]" 3
78 1 94 PRO QB 1 95 GLY QA 4.500 . 4.500 3.761 3.504 3.962 . 0 0 "[ . 1 . 2]" 3
79 1 97 LYS QE 1 97 LYS QG . . 2.800 2.248 2.098 3.007 0.207 17 0 "[ . 1 . 2]" 3
80 1 97 LYS H 1 97 LYS QD 5.500 . 5.500 3.906 3.006 4.316 . 0 0 "[ . 1 . 2]" 3
81 1 98 ALA HA 1 99 TRP HD1 5.500 . 5.500 4.469 4.312 4.576 . 0 0 "[ . 1 . 2]" 3
82 1 98 ALA MB 1 99 TRP HD1 3.500 . 3.500 2.452 2.301 2.561 . 0 0 "[ . 1 . 2]" 3
83 1 99 TRP HA 1 99 TRP HD1 3.500 . 3.500 2.686 2.339 3.454 . 0 0 "[ . 1 . 2]" 3
84 1 97 LYS HA 1 100 VAL MG1 4.500 . 4.500 3.124 2.358 4.388 . 0 0 "[ . 1 . 2]" 3
85 1 100 VAL HA 1 100 VAL HB 2.800 . 2.800 2.529 2.425 2.880 0.080 9 0 "[ . 1 . 2]" 3
86 1 100 VAL HA 1 100 VAL QG 2.800 . 2.800 2.249 2.104 2.316 . 0 0 "[ . 1 . 2]" 3
87 1 100 VAL HA 1 100 VAL MG1 2.800 . 2.800 2.338 2.221 2.926 0.126 9 0 "[ . 1 . 2]" 3
88 1 100 VAL H 1 100 VAL MG1 2.800 . 2.800 2.179 1.872 3.233 0.433 9 0 "[ . 1 . 2]" 3
89 1 100 VAL H 1 100 VAL MG2 2.800 . 2.800 2.016 1.815 3.077 0.277 9 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 15
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 50.024
_Distance_constraint_stats_list.Viol_max 0.313
_Distance_constraint_stats_list.Viol_rms 0.0332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0625
_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 68 THR 0.188 0.027 11 0 "[ . 1 . 2]"
1 69 VAL 0.914 0.223 11 0 "[ . 1 . 2]"
1 70 LEU 1.331 0.223 11 0 "[ . 1 . 2]"
1 71 SER 0.605 0.109 20 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.701 0.313 17 0 "[ . 1 . 2]"
1 83 ALA 0.701 0.313 17 0 "[ . 1 . 2]"
1 84 ILE 0.701 0.313 17 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.274 0.109 14 0 "[ . 1 . 2]"
1 96 TRP 0.274 0.109 14 0 "[ . 1 . 2]"
1 99 TRP 0.008 0.008 15 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 68 THR H 1 68 THR HA 2.800 . 2.800 2.357 2.097 2.790 . 0 0 "[ . 1 . 2]" 4
2 1 68 THR H 1 68 THR HB 2.800 . 2.800 2.421 1.773 2.825 0.027 11 0 "[ . 1 . 2]" 4
3 1 68 THR H 1 68 THR MG 2.800 . 2.800 2.153 1.775 2.811 0.025 19 0 "[ . 1 . 2]" 4
4 1 69 VAL H 1 69 VAL HA 2.800 . 2.800 2.524 2.109 2.807 0.007 14 0 "[ . 1 . 2]" 4
5 1 69 VAL H 1 69 VAL MG2 2.800 . 2.800 2.247 1.737 3.023 0.223 11 0 "[ . 1 . 2]" 4
6 1 70 LEU H 1 71 SER HA 2.800 . 2.800 2.622 2.334 2.909 0.109 20 0 "[ . 1 . 2]" 4
7 1 70 LEU H 1 70 LEU HA 2.800 . 2.800 2.463 2.290 2.695 . 0 0 "[ . 1 . 2]" 4
8 1 72 VAL H 1 72 VAL HB 3.500 . 3.500 3.267 3.094 3.393 . 0 0 "[ . 1 . 2]" 4
9 1 78 LEU QB 1 78 LEU MD2 2.800 . 2.800 2.074 2.028 2.110 . 0 0 "[ . 1 . 2]" 4
10 1 80 ILE MD 1 83 ALA MB 3.500 . 3.500 3.050 1.897 3.813 0.313 17 0 "[ . 1 . 2]" 4
11 1 86 PRO HA 1 89 LEU QB 4.500 . 4.500 3.280 2.716 3.616 . 0 0 "[ . 1 . 2]" 4
12 1 91 ARG HA 1 93 PHE QB 5.500 . 5.500 3.592 2.299 5.400 . 0 0 "[ . 1 . 2]" 4
13 1 95 GLY QA 1 96 TRP HD1 4.500 . 4.500 4.113 3.110 4.609 0.109 14 0 "[ . 1 . 2]" 4
14 1 99 TRP H 1 99 TRP HD1 2.800 . 2.800 2.286 1.792 2.558 0.008 15 0 "[ . 1 . 2]" 4
15 1 93 PHE H 1 93 PHE QD 4.500 . 4.500 3.182 2.097 4.004 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 24
_Distance_constraint_stats_list.Viol_count 158
_Distance_constraint_stats_list.Viol_total 121.095
_Distance_constraint_stats_list.Viol_max 0.154
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0126
_Distance_constraint_stats_list.Viol_average_violations_only 0.0383
_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 72 VAL 0.528 0.075 5 0 "[ . 1 . 2]"
1 73 GLY 0.117 0.051 7 0 "[ . 1 . 2]"
1 74 GLY 0.963 0.113 6 0 "[ . 1 . 2]"
1 75 GLN 0.231 0.078 4 0 "[ . 1 . 2]"
1 76 VAL 1.251 0.110 18 0 "[ . 1 . 2]"
1 77 ASN 0.887 0.154 13 0 "[ . 1 . 2]"
1 78 LEU 1.856 0.143 4 0 "[ . 1 . 2]"
1 79 LEU 0.681 0.078 4 0 "[ . 1 . 2]"
1 80 ILE 0.723 0.110 18 0 "[ . 1 . 2]"
1 81 GLN 0.769 0.154 13 0 "[ . 1 . 2]"
1 82 GLN 0.893 0.143 4 0 "[ . 1 . 2]"
1 83 ALA 0.450 0.069 18 0 "[ . 1 . 2]"
1 86 PRO 0.617 0.100 5 0 "[ . 1 . 2]"
1 87 LYS 0.096 0.031 16 0 "[ . 1 . 2]"
1 88 ASN 0.245 0.063 1 0 "[ . 1 . 2]"
1 90 SER 0.617 0.100 5 0 "[ . 1 . 2]"
1 91 ARG 0.096 0.031 16 0 "[ . 1 . 2]"
1 92 LEU 0.245 0.063 1 0 "[ . 1 . 2]"
1 94 PRO 0.421 0.052 4 0 "[ . 1 . 2]"
1 97 LYS 0.421 0.052 4 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 72 VAL O 1 76 VAL H 1.900 . 2.300 2.095 1.854 2.361 0.061 5 0 "[ . 1 . 2]" 5
2 1 72 VAL O 1 76 VAL N 2.700 2.600 3.100 3.029 2.744 3.175 0.075 5 0 "[ . 1 . 2]" 5
3 1 73 GLY O 1 77 ASN H 1.900 . 2.300 2.100 1.812 2.351 0.051 7 0 "[ . 1 . 2]" 5
4 1 73 GLY O 1 77 ASN N 2.800 2.700 3.300 2.960 2.687 3.231 0.013 10 0 "[ . 1 . 2]" 5
5 1 74 GLY O 1 78 LEU H 1.900 . 2.300 2.221 1.784 2.378 0.078 13 0 "[ . 1 . 2]" 5
6 1 74 GLY O 1 78 LEU N 2.700 2.600 3.100 3.076 2.650 3.213 0.113 6 0 "[ . 1 . 2]" 5
7 1 75 GLN O 1 79 LEU H 1.900 . 2.300 2.021 1.722 2.314 0.078 4 0 "[ . 1 . 2]" 5
8 1 75 GLN O 1 79 LEU N 2.800 2.700 3.300 2.868 2.630 3.117 0.070 14 0 "[ . 1 . 2]" 5
9 1 76 VAL O 1 80 ILE H 1.900 . 2.300 2.249 1.979 2.343 0.043 15 0 "[ . 1 . 2]" 5
10 1 76 VAL O 1 80 ILE N 2.700 2.600 3.100 3.086 2.671 3.210 0.110 18 0 "[ . 1 . 2]" 5
11 1 77 ASN O 1 81 GLN H 1.900 . 2.300 2.183 1.810 2.454 0.154 13 0 "[ . 1 . 2]" 5
12 1 77 ASN O 1 81 GLN N 2.800 2.700 3.300 3.106 2.728 3.421 0.121 13 0 "[ . 1 . 2]" 5
13 1 78 LEU O 1 82 GLN H 1.900 . 2.300 2.243 1.820 2.361 0.061 6 0 "[ . 1 . 2]" 5
14 1 78 LEU O 1 82 GLN N 2.700 2.600 3.100 3.095 2.773 3.243 0.143 4 0 "[ . 1 . 2]" 5
15 1 79 LEU O 1 83 ALA H 1.900 . 2.300 2.214 1.788 2.369 0.069 18 0 "[ . 1 . 2]" 5
16 1 79 LEU O 1 83 ALA N 2.800 2.700 3.300 3.067 2.668 3.293 0.032 11 0 "[ . 1 . 2]" 5
17 1 86 PRO O 1 90 SER H 1.900 . 2.300 2.142 1.766 2.315 0.034 7 0 "[ . 1 . 2]" 5
18 1 86 PRO O 1 90 SER N 2.700 2.600 3.100 3.032 2.701 3.200 0.100 5 0 "[ . 1 . 2]" 5
19 1 87 LYS O 1 91 ARG H 1.900 . 2.300 2.056 1.823 2.318 0.018 7 0 "[ . 1 . 2]" 5
20 1 87 LYS O 1 91 ARG N 2.700 2.600 3.100 2.853 2.569 3.123 0.031 16 0 "[ . 1 . 2]" 5
21 1 88 ASN O 1 92 LEU H 1.900 . 2.300 2.162 1.772 2.363 0.063 1 0 "[ . 1 . 2]" 5
22 1 88 ASN O 1 92 LEU N 2.800 2.700 3.300 3.053 2.683 3.275 0.017 19 0 "[ . 1 . 2]" 5
23 1 94 PRO O 1 97 LYS H 1.900 . 2.300 2.039 1.775 2.346 0.046 12 0 "[ . 1 . 2]" 5
24 1 94 PRO O 1 97 LYS N 2.700 2.600 3.100 2.920 2.574 3.152 0.052 4 0 "[ . 1 . 2]" 5
stop_
save_
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