NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
554359 |
2m07   |
18797 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m07
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 50
_Distance_constraint_stats_list.Viol_count 902
_Distance_constraint_stats_list.Viol_total 1139.363
_Distance_constraint_stats_list.Viol_max 0.174
_Distance_constraint_stats_list.Viol_rms 0.0378
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0570
_Distance_constraint_stats_list.Viol_average_violations_only 0.0632
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.126 0.035 16 0 "[ . 1 . 2]"
1 3 SER 1.361 0.077 14 0 "[ . 1 . 2]"
1 4 THR 0.147 0.041 10 0 "[ . 1 . 2]"
1 5 VAL 0.326 0.038 10 0 "[ . 1 . 2]"
1 6 THR 0.930 0.082 18 0 "[ . 1 . 2]"
1 7 GLY 1.271 0.089 5 0 "[ . 1 . 2]"
1 8 GLY 1.606 0.102 14 0 "[ . 1 . 2]"
1 9 TYR 1.522 0.101 18 0 "[ . 1 . 2]"
1 10 ALA 0.381 0.041 15 0 "[ . 1 . 2]"
1 11 GLN 1.368 0.084 15 0 "[ . 1 . 2]"
1 12 SER 1.494 0.122 6 0 "[ . 1 . 2]"
1 13 ASP 1.355 0.089 9 0 "[ . 1 . 2]"
1 21 MET 1.494 0.122 6 0 "[ . 1 . 2]"
1 22 GLY 1.770 0.118 16 0 "[ . 1 . 2]"
1 23 GLY 0.381 0.041 15 0 "[ . 1 . 2]"
1 24 PHE 1.252 0.100 15 0 "[ . 1 . 2]"
1 25 ASN 1.606 0.102 14 0 "[ . 1 . 2]"
1 26 LEU 1.317 0.087 9 0 "[ . 1 . 2]"
1 27 LYS 0.930 0.082 18 0 "[ . 1 . 2]"
1 28 TYR 1.090 0.100 13 0 "[ . 1 . 2]"
1 29 ARG 0.147 0.041 10 0 "[ . 1 . 2]"
1 30 TYR 1.651 0.115 16 0 "[ . 1 . 2]"
1 31 GLU 0.874 0.077 14 0 "[ . 1 . 2]"
1 38 GLY 0.955 0.079 5 0 "[ . 1 . 2]"
1 39 VAL 1.651 0.115 16 0 "[ . 1 . 2]"
1 40 ILE 1.913 0.126 20 0 "[ . 1 . 2]"
1 41 GLY 1.090 0.100 13 0 "[ . 1 . 2]"
1 42 SER 1.135 0.089 20 0 "[ . 1 . 2]"
1 43 PHE 1.317 0.087 9 0 "[ . 1 . 2]"
1 44 THR 0.943 0.102 10 0 "[ . 1 . 2]"
1 45 TYR 1.252 0.100 15 0 "[ . 1 . 2]"
1 46 THR 0.738 0.105 7 0 "[ . 1 . 2]"
1 47 GLU 1.770 0.118 16 0 "[ . 1 . 2]"
1 50 ARG 0.386 0.056 15 0 "[ . 1 . 2]"
1 54 SER 0.010 0.010 1 0 "[ . 1 . 2]"
1 56 ASP 0.010 0.010 1 0 "[ . 1 . 2]"
1 58 ASN 0.386 0.056 15 0 "[ . 1 . 2]"
1 61 GLN 1.527 0.122 7 0 "[ . 1 . 2]"
1 62 TYR 0.738 0.105 7 0 "[ . 1 . 2]"
1 63 TYR 1.132 0.080 11 0 "[ . 1 . 2]"
1 64 GLY 0.943 0.102 10 0 "[ . 1 . 2]"
1 65 ILE 1.320 0.094 19 0 "[ . 1 . 2]"
1 66 THR 1.135 0.089 20 0 "[ . 1 . 2]"
1 67 ALA 1.189 0.090 19 0 "[ . 1 . 2]"
1 68 GLY 1.913 0.126 20 0 "[ . 1 . 2]"
1 70 ALA 0.955 0.079 5 0 "[ . 1 . 2]"
1 71 TYR 1.919 0.148 14 0 "[ . 1 . 2]"
1 78 SER 2.376 0.161 8 0 "[ . 1 . 2]"
1 79 ILE 1.919 0.148 14 0 "[ . 1 . 2]"
1 80 TYR 0.235 0.040 20 0 "[ . 1 . 2]"
1 82 VAL 1.747 0.107 14 0 "[ . 1 . 2]"
1 83 VAL 1.189 0.090 19 0 "[ . 1 . 2]"
1 84 GLY 2.467 0.166 11 0 "[ . 1 . 2]"
1 85 VAL 1.320 0.094 19 0 "[ . 1 . 2]"
1 86 GLY 4.951 0.174 20 0 "[ . 1 . 2]"
1 87 TYR 1.132 0.080 11 0 "[ . 1 . 2]"
1 88 GLY 0.158 0.028 18 0 "[ . 1 . 2]"
1 89 LYS 1.527 0.122 7 0 "[ . 1 . 2]"
1 90 PHE 0.493 0.079 4 0 "[ . 1 . 2]"
1 102 THR 0.493 0.079 4 0 "[ . 1 . 2]"
1 104 ASP 0.158 0.028 18 0 "[ . 1 . 2]"
1 106 GLY 2.075 0.128 10 0 "[ . 1 . 2]"
1 107 PHE 0.548 0.063 9 0 "[ . 1 . 2]"
1 108 SER 5.343 0.174 20 0 "[ . 1 . 2]"
1 109 TYR 1.176 0.078 14 0 "[ . 1 . 2]"
1 110 GLY 1.747 0.107 14 0 "[ . 1 . 2]"
1 111 ALA 0.548 0.047 7 0 "[ . 1 . 2]"
1 112 GLY 0.235 0.040 20 0 "[ . 1 . 2]"
1 113 LEU 1.691 0.105 13 0 "[ . 1 . 2]"
1 114 GLN 2.376 0.161 8 0 "[ . 1 . 2]"
1 115 PHE 2.214 0.155 9 0 "[ . 1 . 2]"
1 120 ASN 0.903 0.081 20 0 "[ . 1 . 2]"
1 121 VAL 0.903 0.081 20 0 "[ . 1 . 2]"
1 122 ALA 0.607 0.067 12 0 "[ . 1 . 2]"
1 123 LEU 2.214 0.155 9 0 "[ . 1 . 2]"
1 124 ASP 0.920 0.076 9 0 "[ . 1 . 2]"
1 125 PHE 1.691 0.105 13 0 "[ . 1 . 2]"
1 126 SER 1.981 0.125 13 0 "[ . 1 . 2]"
1 127 TYR 0.548 0.047 7 0 "[ . 1 . 2]"
1 128 GLU 1.401 0.119 17 0 "[ . 1 . 2]"
1 129 GLN 1.176 0.078 14 0 "[ . 1 . 2]"
1 130 SER 0.418 0.059 8 0 "[ . 1 . 2]"
1 131 ARG 0.548 0.063 9 0 "[ . 1 . 2]"
1 137 VAL 0.418 0.059 8 0 "[ . 1 . 2]"
1 138 GLY 1.355 0.089 9 0 "[ . 1 . 2]"
1 139 THR 1.401 0.119 17 0 "[ . 1 . 2]"
1 140 TRP 1.368 0.084 15 0 "[ . 1 . 2]"
1 141 ILE 1.981 0.125 13 0 "[ . 1 . 2]"
1 142 ALA 1.522 0.101 18 0 "[ . 1 . 2]"
1 143 GLY 0.920 0.076 9 0 "[ . 1 . 2]"
1 144 VAL 1.271 0.089 5 0 "[ . 1 . 2]"
1 145 GLY 0.607 0.067 12 0 "[ . 1 . 2]"
1 146 TYR 0.326 0.038 10 0 "[ . 1 . 2]"
1 148 PHE 0.613 0.048 2 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 3 SER H 1 148 PHE H 0.000 . 2.800 2.830 2.794 2.848 0.048 2 0 "[ . 1 . 2]" 1
2 1 4 THR H 1 29 ARG H 0.000 . 2.800 2.667 2.271 2.841 0.041 10 0 "[ . 1 . 2]" 1
3 1 5 VAL H 1 146 TYR H 0.000 . 2.800 2.812 2.751 2.838 0.038 10 0 "[ . 1 . 2]" 1
4 1 6 THR H 1 27 LYS H 0.000 . 2.800 2.846 2.823 2.882 0.082 18 0 "[ . 1 . 2]" 1
5 1 7 GLY H 1 144 VAL H 0.000 . 2.800 2.864 2.839 2.889 0.089 5 0 "[ . 1 . 2]" 1
6 1 8 GLY H 1 25 ASN H 0.000 . 2.800 2.880 2.847 2.902 0.102 14 0 "[ . 1 . 2]" 1
7 1 9 TYR H 1 142 ALA H 0.000 . 2.800 2.876 2.848 2.901 0.101 18 0 "[ . 1 . 2]" 1
8 1 10 ALA H 1 23 GLY H 0.000 . 2.800 2.810 2.696 2.841 0.041 15 0 "[ . 1 . 2]" 1
9 1 11 GLN H 1 140 TRP H 0.000 . 2.800 2.868 2.847 2.884 0.084 15 0 "[ . 1 . 2]" 1
10 1 12 SER H 1 21 MET H 0.000 . 2.800 2.875 2.849 2.922 0.122 6 0 "[ . 1 . 2]" 1
11 1 13 ASP H 1 138 GLY H 0.000 . 2.800 2.868 2.837 2.889 0.089 9 0 "[ . 1 . 2]" 1
12 1 22 GLY H 1 47 GLU H 0.000 . 2.900 2.988 2.958 3.018 0.118 16 0 "[ . 1 . 2]" 1
13 1 24 PHE H 1 45 TYR H 0.000 . 2.800 2.863 2.835 2.900 0.100 15 0 "[ . 1 . 2]" 1
14 1 26 LEU H 1 43 PHE H 0.000 . 2.800 2.866 2.840 2.887 0.087 9 0 "[ . 1 . 2]" 1
15 1 28 TYR H 1 41 GLY H 0.000 . 2.800 2.854 2.833 2.900 0.100 13 0 "[ . 1 . 2]" 1
16 1 30 TYR H 1 39 VAL H 0.000 . 2.800 2.883 2.862 2.915 0.115 16 0 "[ . 1 . 2]" 1
17 1 2 THR H 1 31 GLU H 0.000 . 5.000 4.432 3.415 5.035 0.035 16 0 "[ . 1 . 2]" 1
18 1 3 SER H 1 31 GLU H 0.000 . 5.000 4.992 4.263 5.077 0.077 14 0 "[ . 1 . 2]" 1
19 1 38 GLY H 1 70 ALA H 0.000 . 3.200 3.248 3.220 3.279 0.079 5 0 "[ . 1 . 2]" 1
20 1 40 ILE H 1 68 GLY H 0.000 . 2.800 2.896 2.828 2.926 0.126 20 0 "[ . 1 . 2]" 1
21 1 42 SER H 1 66 THR H 0.000 . 2.800 2.857 2.820 2.889 0.089 20 0 "[ . 1 . 2]" 1
22 1 44 THR H 1 64 GLY H 0.000 . 2.800 2.847 2.815 2.902 0.102 10 0 "[ . 1 . 2]" 1
23 1 46 THR H 1 62 TYR H 0.000 . 2.800 2.837 2.798 2.905 0.105 7 0 "[ . 1 . 2]" 1
24 1 50 ARG H 1 58 ASN H 0.000 . 5.000 4.968 4.018 5.056 0.056 15 0 "[ . 1 . 2]" 1
25 1 54 SER H 1 56 ASP H 0.000 . 5.000 4.321 3.781 5.010 0.010 1 0 "[ . 1 . 2]" 1
26 1 61 GLN H 1 89 LYS H 0.000 . 2.800 2.876 2.840 2.922 0.122 7 0 "[ . 1 . 2]" 1
27 1 63 TYR H 1 87 TYR H 0.000 . 2.800 2.857 2.837 2.880 0.080 11 0 "[ . 1 . 2]" 1
28 1 65 ILE H 1 85 VAL H 0.000 . 2.800 2.866 2.843 2.894 0.094 19 0 "[ . 1 . 2]" 1
29 1 67 ALA H 1 83 VAL H 0.000 . 2.800 2.859 2.836 2.890 0.090 19 0 "[ . 1 . 2]" 1
30 1 71 TYR H 1 79 ILE H 0.000 . 3.200 3.296 3.218 3.348 0.148 14 0 "[ . 1 . 2]" 1
31 1 78 SER H 1 114 GLN H 0.000 . 2.800 2.919 2.848 2.961 0.161 8 0 "[ . 1 . 2]" 1
32 1 80 TYR H 1 112 GLY H 0.000 . 2.800 2.808 2.779 2.840 0.040 20 0 "[ . 1 . 2]" 1
33 1 82 VAL H 1 110 GLY H 0.000 . 2.800 2.887 2.856 2.907 0.107 14 0 "[ . 1 . 2]" 1
34 1 84 GLY H 1 108 SER H 0.000 . 2.900 3.023 3.000 3.066 0.166 11 0 "[ . 1 . 2]" 1
35 1 86 GLY H 1 106 GLY H 0.000 . 2.800 2.904 2.878 2.928 0.128 10 0 "[ . 1 . 2]" 1
36 1 88 GLY H 1 104 ASP H 0.000 . 2.800 2.753 2.511 2.828 0.028 18 0 "[ . 1 . 2]" 1
37 1 90 PHE H 1 102 THR H 0.000 . 2.800 2.825 2.802 2.879 0.079 4 0 "[ . 1 . 2]" 1
38 1 107 PHE H 1 131 ARG H 0.000 . 4.000 4.027 4.009 4.063 0.063 9 0 "[ . 1 . 2]" 1
39 1 86 GLY H 1 108 SER H 0.000 . 4.000 4.144 4.118 4.174 0.174 20 0 "[ . 1 . 2]" 1
40 1 109 TYR H 1 129 GLN H 0.000 . 2.800 2.859 2.848 2.878 0.078 14 0 "[ . 1 . 2]" 1
41 1 111 ALA H 1 127 TYR H 0.000 . 2.800 2.827 2.807 2.847 0.047 7 0 "[ . 1 . 2]" 1
42 1 113 LEU H 1 125 PHE H 0.000 . 2.800 2.885 2.858 2.905 0.105 13 0 "[ . 1 . 2]" 1
43 1 115 PHE H 1 123 LEU H 0.000 . 3.200 3.311 3.262 3.355 0.155 9 0 "[ . 1 . 2]" 1
44 1 120 ASN H 1 121 VAL H 0.000 . 2.800 2.845 2.802 2.881 0.081 20 0 "[ . 1 . 2]" 1
45 1 122 ALA H 1 145 GLY H 0.000 . 3.200 3.230 3.199 3.267 0.067 12 0 "[ . 1 . 2]" 1
46 1 124 ASP H 1 143 GLY H 0.000 . 2.900 2.946 2.924 2.976 0.076 9 0 "[ . 1 . 2]" 1
47 1 126 SER H 1 141 ILE H 0.000 . 2.800 2.899 2.857 2.925 0.125 13 0 "[ . 1 . 2]" 1
48 1 128 GLU H 1 139 THR H 0.000 . 2.800 2.870 2.841 2.919 0.119 17 0 "[ . 1 . 2]" 1
49 1 130 SER H 1 137 VAL H 0.000 . 3.200 3.214 3.130 3.259 0.059 8 0 "[ . 1 . 2]" 1
50 1 129 GLN QE 1 137 VAL H 0.000 . 5.700 4.259 2.855 5.103 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 130
_Distance_constraint_stats_list.Viol_count 86
_Distance_constraint_stats_list.Viol_total 276.640
_Distance_constraint_stats_list.Viol_max 0.539
_Distance_constraint_stats_list.Viol_rms 0.0378
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.1608
_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 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.019 0.019 8 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 MET 0.019 0.019 8 0 "[ . 1 . 2]"
1 22 GLY 0.213 0.140 7 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.213 0.140 7 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PRO 1.516 0.158 2 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 0.414 0.138 4 0 "[ . 1 . 2]"
1 79 ILE 0.414 0.138 4 0 "[ . 1 . 2]"
1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 1.516 0.158 2 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ALA 0.243 0.087 9 0 "[ . 1 . 2]"
1 123 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 SER 11.427 0.539 16 2 "[ - . 1 .+ 2]"
1 137 VAL 11.427 0.539 16 2 "[ - . 1 .+ 2]"
1 138 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 GLY 0.243 0.087 9 0 "[ . 1 . 2]"
1 146 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 GLY H 1 25 ASN O 2.200 . 2.600 2.240 2.187 2.346 . 0 0 "[ . 1 . 2]" 2
2 1 8 GLY N 1 25 ASN O 3.100 2.600 3.500 3.144 3.089 3.261 . 0 0 "[ . 1 . 2]" 2
3 1 8 GLY O 1 25 ASN H 2.200 . 2.600 2.241 2.165 2.294 . 0 0 "[ . 1 . 2]" 2
4 1 8 GLY O 1 25 ASN N 3.100 2.600 3.500 3.196 3.118 3.255 . 0 0 "[ . 1 . 2]" 2
5 1 10 ALA H 1 23 GLY O 2.200 . 2.600 1.997 1.906 2.080 . 0 0 "[ . 1 . 2]" 2
6 1 10 ALA N 1 23 GLY O 3.100 2.600 3.500 2.895 2.756 3.009 . 0 0 "[ . 1 . 2]" 2
7 1 10 ALA O 1 23 GLY H 2.200 . 2.600 2.118 2.069 2.175 . 0 0 "[ . 1 . 2]" 2
8 1 10 ALA O 1 23 GLY N 3.100 2.600 3.500 3.028 2.965 3.087 . 0 0 "[ . 1 . 2]" 2
9 1 12 SER H 1 21 MET O 2.200 . 2.600 2.161 2.091 2.261 . 0 0 "[ . 1 . 2]" 2
10 1 12 SER N 1 21 MET O 3.100 2.600 3.500 3.114 3.037 3.212 . 0 0 "[ . 1 . 2]" 2
11 1 12 SER O 1 21 MET H 2.200 . 2.600 2.459 2.369 2.542 . 0 0 "[ . 1 . 2]" 2
12 1 12 SER O 1 21 MET N 3.100 2.600 3.500 3.419 3.292 3.519 0.019 8 0 "[ . 1 . 2]" 2
13 1 5 VAL H 1 146 TYR O 2.200 . 2.600 2.296 2.183 2.365 . 0 0 "[ . 1 . 2]" 2
14 1 5 VAL N 1 146 TYR O 3.100 2.600 3.500 3.223 3.121 3.308 . 0 0 "[ . 1 . 2]" 2
15 1 7 GLY H 1 144 VAL O 2.200 . 2.600 2.150 2.079 2.197 . 0 0 "[ . 1 . 2]" 2
16 1 7 GLY N 1 144 VAL O 3.100 2.600 3.500 3.100 3.026 3.156 . 0 0 "[ . 1 . 2]" 2
17 1 7 GLY O 1 144 VAL H 2.200 . 2.600 2.061 2.015 2.107 . 0 0 "[ . 1 . 2]" 2
18 1 7 GLY O 1 144 VAL N 3.100 2.600 3.500 2.994 2.943 3.039 . 0 0 "[ . 1 . 2]" 2
19 1 9 TYR H 1 142 ALA O 2.200 . 2.600 2.166 2.111 2.243 . 0 0 "[ . 1 . 2]" 2
20 1 9 TYR N 1 142 ALA O 3.100 2.600 3.500 3.050 3.013 3.138 . 0 0 "[ . 1 . 2]" 2
21 1 9 TYR O 1 142 ALA H 2.200 . 2.600 2.225 2.132 2.290 . 0 0 "[ . 1 . 2]" 2
22 1 9 TYR O 1 142 ALA N 3.100 2.600 3.500 3.172 3.087 3.229 . 0 0 "[ . 1 . 2]" 2
23 1 11 GLN H 1 140 TRP O 2.200 . 2.600 2.243 2.160 2.359 . 0 0 "[ . 1 . 2]" 2
24 1 11 GLN N 1 140 TRP O 3.100 2.600 3.500 3.175 3.090 3.277 . 0 0 "[ . 1 . 2]" 2
25 1 11 GLN O 1 140 TRP H 2.200 . 2.600 2.282 2.186 2.376 . 0 0 "[ . 1 . 2]" 2
26 1 11 GLN O 1 140 TRP N 3.100 2.600 3.500 3.217 3.127 3.307 . 0 0 "[ . 1 . 2]" 2
27 1 13 ASP H 1 138 GLY O 2.200 . 2.600 2.163 2.050 2.245 . 0 0 "[ . 1 . 2]" 2
28 1 13 ASP N 1 138 GLY O 3.100 2.600 3.500 3.064 2.984 3.125 . 0 0 "[ . 1 . 2]" 2
29 1 22 GLY H 1 47 GLU O 2.200 . 2.600 2.354 2.250 2.673 0.073 7 0 "[ . 1 . 2]" 2
30 1 22 GLY N 1 47 GLU O 3.100 2.600 3.500 3.325 3.179 3.640 0.140 7 0 "[ . 1 . 2]" 2
31 1 22 GLY O 1 47 GLU H 2.200 . 2.600 1.957 1.808 2.047 . 0 0 "[ . 1 . 2]" 2
32 1 22 GLY O 1 47 GLU N 3.100 2.600 3.500 2.884 2.733 2.989 . 0 0 "[ . 1 . 2]" 2
33 1 24 PHE H 1 45 TYR O 2.200 . 2.600 2.184 2.111 2.284 . 0 0 "[ . 1 . 2]" 2
34 1 24 PHE N 1 45 TYR O 3.100 2.600 3.500 3.115 3.055 3.214 . 0 0 "[ . 1 . 2]" 2
35 1 24 PHE O 1 45 TYR H 2.200 . 2.600 2.300 2.172 2.389 . 0 0 "[ . 1 . 2]" 2
36 1 24 PHE O 1 45 TYR N 3.100 2.600 3.500 3.239 3.122 3.320 . 0 0 "[ . 1 . 2]" 2
37 1 26 LEU H 1 43 PHE O 2.200 . 2.600 2.267 2.224 2.333 . 0 0 "[ . 1 . 2]" 2
38 1 26 LEU N 1 43 PHE O 3.100 2.600 3.500 3.212 3.177 3.289 . 0 0 "[ . 1 . 2]" 2
39 1 26 LEU O 1 43 PHE H 2.200 . 2.600 2.204 2.054 2.450 . 0 0 "[ . 1 . 2]" 2
40 1 26 LEU O 1 43 PHE N 3.100 2.600 3.500 3.141 3.011 3.347 . 0 0 "[ . 1 . 2]" 2
41 1 28 TYR H 1 41 GLY O 2.200 . 2.600 2.136 2.087 2.201 . 0 0 "[ . 1 . 2]" 2
42 1 28 TYR N 1 41 GLY O 3.100 2.600 3.500 3.082 3.008 3.146 . 0 0 "[ . 1 . 2]" 2
43 1 28 TYR O 1 41 GLY H 2.200 . 2.600 2.208 2.089 2.288 . 0 0 "[ . 1 . 2]" 2
44 1 28 TYR O 1 41 GLY N 3.100 2.600 3.500 3.146 3.028 3.226 . 0 0 "[ . 1 . 2]" 2
45 1 38 GLY H 1 70 ALA O 2.200 . 2.600 2.383 2.319 2.480 . 0 0 "[ . 1 . 2]" 2
46 1 38 GLY N 1 70 ALA O 3.100 2.600 3.500 3.349 3.289 3.424 . 0 0 "[ . 1 . 2]" 2
47 1 38 GLY O 1 70 ALA H 2.200 . 2.600 1.912 1.823 1.979 . 0 0 "[ . 1 . 2]" 2
48 1 38 GLY O 1 70 ALA N 3.100 2.600 3.500 2.860 2.787 2.919 . 0 0 "[ . 1 . 2]" 2
49 1 40 ILE H 1 68 GLY O 2.200 . 2.600 2.208 2.149 2.263 . 0 0 "[ . 1 . 2]" 2
50 1 40 ILE N 1 68 GLY O 3.100 2.600 3.500 3.158 3.107 3.210 . 0 0 "[ . 1 . 2]" 2
51 1 40 ILE O 1 68 GLY H 2.200 . 2.600 2.251 2.152 2.315 . 0 0 "[ . 1 . 2]" 2
52 1 40 ILE O 1 68 GLY N 3.100 2.600 3.500 3.143 3.030 3.209 . 0 0 "[ . 1 . 2]" 2
53 1 42 SER H 1 66 THR O 2.200 . 2.600 2.169 2.072 2.270 . 0 0 "[ . 1 . 2]" 2
54 1 42 SER N 1 66 THR O 3.100 2.600 3.500 3.105 3.015 3.207 . 0 0 "[ . 1 . 2]" 2
55 1 42 SER O 1 66 THR H 2.200 . 2.600 2.194 2.135 2.278 . 0 0 "[ . 1 . 2]" 2
56 1 42 SER O 1 66 THR N 3.100 2.600 3.500 3.159 3.100 3.244 . 0 0 "[ . 1 . 2]" 2
57 1 44 THR H 1 64 GLY O 2.200 . 2.600 2.187 2.101 2.249 . 0 0 "[ . 1 . 2]" 2
58 1 44 THR N 1 64 GLY O 3.100 2.600 3.500 3.123 3.028 3.203 . 0 0 "[ . 1 . 2]" 2
59 1 44 THR O 1 64 GLY H 2.200 . 2.600 2.244 2.132 2.345 . 0 0 "[ . 1 . 2]" 2
60 1 44 THR O 1 64 GLY N 3.100 2.600 3.500 3.171 3.070 3.280 . 0 0 "[ . 1 . 2]" 2
61 1 61 GLN H 1 89 LYS O 2.200 . 2.600 2.221 2.149 2.336 . 0 0 "[ . 1 . 2]" 2
62 1 61 GLN N 1 89 LYS O 3.100 2.600 3.500 3.186 3.097 3.300 . 0 0 "[ . 1 . 2]" 2
63 1 61 GLN O 1 89 LYS H 2.200 . 2.600 2.135 1.987 2.257 . 0 0 "[ . 1 . 2]" 2
64 1 61 GLN O 1 89 LYS N 3.100 2.600 3.500 3.065 2.904 3.218 . 0 0 "[ . 1 . 2]" 2
65 1 63 TYR H 1 87 TYR O 2.200 . 2.600 2.161 2.089 2.227 . 0 0 "[ . 1 . 2]" 2
66 1 63 TYR N 1 87 TYR O 3.100 2.600 3.500 3.106 3.045 3.180 . 0 0 "[ . 1 . 2]" 2
67 1 63 TYR O 1 87 TYR H 2.200 . 2.600 2.097 2.035 2.160 . 0 0 "[ . 1 . 2]" 2
68 1 63 TYR O 1 87 TYR N 3.100 2.600 3.500 3.044 2.986 3.101 . 0 0 "[ . 1 . 2]" 2
69 1 65 ILE H 1 85 VAL O 2.200 . 2.600 2.271 2.216 2.325 . 0 0 "[ . 1 . 2]" 2
70 1 65 ILE N 1 85 VAL O 3.100 2.600 3.500 3.206 3.143 3.259 . 0 0 "[ . 1 . 2]" 2
71 1 65 ILE O 1 85 VAL H 2.200 . 2.600 2.215 2.167 2.263 . 0 0 "[ . 1 . 2]" 2
72 1 65 ILE O 1 85 VAL N 3.100 2.600 3.500 3.084 3.056 3.119 . 0 0 "[ . 1 . 2]" 2
73 1 67 ALA H 1 83 VAL O 2.200 . 2.600 2.097 2.005 2.177 . 0 0 "[ . 1 . 2]" 2
74 1 67 ALA N 1 83 VAL O 3.100 2.600 3.500 3.054 2.965 3.132 . 0 0 "[ . 1 . 2]" 2
75 1 67 ALA O 1 83 VAL H 2.200 . 2.600 2.163 2.109 2.203 . 0 0 "[ . 1 . 2]" 2
76 1 67 ALA O 1 83 VAL N 3.100 2.600 3.500 3.131 3.084 3.170 . 0 0 "[ . 1 . 2]" 2
77 1 69 PRO O 1 81 GLY H 2.200 . 2.600 2.600 2.532 2.686 0.086 13 0 "[ . 1 . 2]" 2
78 1 69 PRO O 1 81 GLY N 3.100 2.600 3.500 3.561 3.496 3.658 0.158 2 0 "[ . 1 . 2]" 2
79 1 71 TYR H 1 79 ILE O 2.200 . 2.600 1.908 1.835 2.038 . 0 0 "[ . 1 . 2]" 2
80 1 71 TYR N 1 79 ILE O 3.100 2.600 3.500 2.849 2.737 3.007 . 0 0 "[ . 1 . 2]" 2
81 1 71 TYR O 1 79 ILE H 2.200 . 2.600 2.342 2.055 2.659 0.059 4 0 "[ . 1 . 2]" 2
82 1 71 TYR O 1 79 ILE N 3.100 2.600 3.500 3.300 3.001 3.638 0.138 4 0 "[ . 1 . 2]" 2
83 1 88 GLY H 1 104 ASP O 2.200 . 2.600 2.246 2.156 2.418 . 0 0 "[ . 1 . 2]" 2
84 1 88 GLY N 1 104 ASP O 3.100 2.600 3.500 3.178 3.105 3.317 . 0 0 "[ . 1 . 2]" 2
85 1 86 GLY H 1 106 GLY O 2.200 . 2.600 2.099 2.038 2.206 . 0 0 "[ . 1 . 2]" 2
86 1 86 GLY N 1 106 GLY O 3.100 2.600 3.500 3.081 3.021 3.187 . 0 0 "[ . 1 . 2]" 2
87 1 86 GLY O 1 106 GLY H 2.200 . 2.600 2.047 1.923 2.158 . 0 0 "[ . 1 . 2]" 2
88 1 86 GLY O 1 106 GLY N 3.100 2.600 3.500 2.952 2.816 3.051 . 0 0 "[ . 1 . 2]" 2
89 1 84 GLY H 1 108 SER O 2.200 . 2.600 2.057 1.912 2.133 . 0 0 "[ . 1 . 2]" 2
90 1 84 GLY N 1 108 SER O 3.100 2.600 3.500 2.985 2.837 3.064 . 0 0 "[ . 1 . 2]" 2
91 1 84 GLY O 1 108 SER H 2.200 . 2.600 2.094 2.045 2.174 . 0 0 "[ . 1 . 2]" 2
92 1 84 GLY O 1 108 SER N 3.100 2.600 3.500 3.070 3.004 3.151 . 0 0 "[ . 1 . 2]" 2
93 1 82 VAL H 1 110 GLY O 2.200 . 2.600 2.090 2.021 2.160 . 0 0 "[ . 1 . 2]" 2
94 1 82 VAL N 1 110 GLY O 3.100 2.600 3.500 3.037 2.972 3.113 . 0 0 "[ . 1 . 2]" 2
95 1 82 VAL O 1 110 GLY H 2.200 . 2.600 2.169 2.079 2.244 . 0 0 "[ . 1 . 2]" 2
96 1 82 VAL O 1 110 GLY N 3.100 2.600 3.500 3.106 2.983 3.183 . 0 0 "[ . 1 . 2]" 2
97 1 80 TYR H 1 112 GLY O 2.200 . 2.600 2.292 2.172 2.395 . 0 0 "[ . 1 . 2]" 2
98 1 80 TYR N 1 112 GLY O 3.100 2.600 3.500 3.230 3.119 3.323 . 0 0 "[ . 1 . 2]" 2
99 1 80 TYR O 1 112 GLY H 2.200 . 2.600 2.275 2.186 2.343 . 0 0 "[ . 1 . 2]" 2
100 1 80 TYR O 1 112 GLY N 3.100 2.600 3.500 3.188 3.100 3.253 . 0 0 "[ . 1 . 2]" 2
101 1 109 TYR H 1 129 GLN O 2.200 . 2.600 2.279 2.207 2.394 . 0 0 "[ . 1 . 2]" 2
102 1 109 TYR N 1 129 GLN O 3.100 2.600 3.500 3.238 3.168 3.353 . 0 0 "[ . 1 . 2]" 2
103 1 109 TYR O 1 129 GLN H 2.200 . 2.600 1.983 1.910 2.086 . 0 0 "[ . 1 . 2]" 2
104 1 109 TYR O 1 129 GLN N 3.100 2.600 3.500 2.929 2.862 3.022 . 0 0 "[ . 1 . 2]" 2
105 1 111 ALA H 1 127 TYR O 2.200 . 2.600 2.289 2.226 2.344 . 0 0 "[ . 1 . 2]" 2
106 1 111 ALA N 1 127 TYR O 3.100 2.600 3.500 3.190 3.114 3.242 . 0 0 "[ . 1 . 2]" 2
107 1 113 LEU H 1 125 PHE O 2.200 . 2.600 2.140 2.088 2.230 . 0 0 "[ . 1 . 2]" 2
108 1 113 LEU N 1 125 PHE O 3.100 2.600 3.500 3.030 2.959 3.146 . 0 0 "[ . 1 . 2]" 2
109 1 113 LEU O 1 125 PHE H 2.200 . 2.600 2.268 2.175 2.393 . 0 0 "[ . 1 . 2]" 2
110 1 113 LEU O 1 125 PHE N 3.100 2.600 3.500 3.213 3.118 3.348 . 0 0 "[ . 1 . 2]" 2
111 1 115 PHE H 1 123 LEU O 2.200 . 2.600 2.219 2.107 2.367 . 0 0 "[ . 1 . 2]" 2
112 1 115 PHE N 1 123 LEU O 3.100 2.600 3.500 3.190 3.087 3.329 . 0 0 "[ . 1 . 2]" 2
113 1 115 PHE O 1 123 LEU H 2.200 . 2.600 2.143 1.978 2.281 . 0 0 "[ . 1 . 2]" 2
114 1 115 PHE O 1 123 LEU N 3.100 2.600 3.500 3.113 2.957 3.239 . 0 0 "[ . 1 . 2]" 2
115 1 122 ALA H 1 145 GLY O 2.200 . 2.600 2.524 2.431 2.661 0.061 9 0 "[ . 1 . 2]" 2
116 1 122 ALA N 1 145 GLY O 3.100 2.600 3.500 3.438 3.319 3.587 0.087 9 0 "[ . 1 . 2]" 2
117 1 122 ALA O 1 145 GLY H 2.200 . 2.600 2.071 1.967 2.164 . 0 0 "[ . 1 . 2]" 2
118 1 122 ALA O 1 145 GLY N 3.100 2.600 3.500 2.993 2.863 3.094 . 0 0 "[ . 1 . 2]" 2
119 1 124 ASP H 1 143 GLY O 2.200 . 2.600 2.186 2.063 2.261 . 0 0 "[ . 1 . 2]" 2
120 1 124 ASP N 1 143 GLY O 3.100 2.600 3.500 3.130 3.014 3.211 . 0 0 "[ . 1 . 2]" 2
121 1 124 ASP O 1 143 GLY H 2.200 . 2.600 2.245 2.147 2.322 . 0 0 "[ . 1 . 2]" 2
122 1 124 ASP O 1 143 GLY N 3.100 2.600 3.500 3.193 3.091 3.279 . 0 0 "[ . 1 . 2]" 2
123 1 126 SER H 1 141 ILE O 2.200 . 2.600 2.229 2.189 2.325 . 0 0 "[ . 1 . 2]" 2
124 1 126 SER N 1 141 ILE O 3.100 2.600 3.500 3.175 3.132 3.264 . 0 0 "[ . 1 . 2]" 2
125 1 126 SER O 1 141 ILE H 2.200 . 2.600 2.070 1.979 2.164 . 0 0 "[ . 1 . 2]" 2
126 1 126 SER O 1 141 ILE N 3.100 2.600 3.500 3.012 2.911 3.116 . 0 0 "[ . 1 . 2]" 2
127 1 128 GLU H 1 139 THR O 2.200 . 2.600 2.057 1.978 2.162 . 0 0 "[ . 1 . 2]" 2
128 1 128 GLU N 1 139 THR O 3.100 2.600 3.500 2.980 2.909 3.073 . 0 0 "[ . 1 . 2]" 2
129 1 130 SER O 1 137 VAL H 2.200 . 2.600 2.843 2.780 3.053 0.453 16 0 "[ . 1 . 2]" 2
130 1 130 SER O 1 137 VAL N 3.100 2.600 3.500 3.828 3.757 4.039 0.539 16 2 "[ - . 1 .+ 2]" 2
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