NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596452 |
2n4n   |
25673 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4n
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 110
_Distance_constraint_stats_list.Viol_count 154
_Distance_constraint_stats_list.Viol_total 336.094
_Distance_constraint_stats_list.Viol_max 0.866
_Distance_constraint_stats_list.Viol_rms 0.1017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0306
_Distance_constraint_stats_list.Viol_average_violations_only 0.2182
_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 GLU 0.158 0.125 9 0 "[ . 1]"
1 3 ARG 2.603 0.530 10 1 "[ . +]"
1 4 PHE 2.025 0.286 9 0 "[ . 1]"
1 5 TYR 2.487 0.866 10 2 "[ - . +]"
1 6 GLU 1.422 0.341 9 0 "[ . 1]"
1 7 LYS 0.000 0.000 . 0 "[ . 1]"
1 10 VAL 5.271 0.842 5 3 "[ - *+ 1]"
1 11 GLN 4.019 0.513 5 1 "[ + 1]"
1 12 LYS 1.487 0.866 10 1 "[ . +]"
1 13 PHE 2.448 0.530 10 1 "[ . +]"
1 14 ILE 0.276 0.163 1 0 "[ . 1]"
1 15 ARG 6.043 0.592 2 3 "[ + *- 1]"
1 16 VAL 5.427 0.811 4 3 "[ +.- * 1]"
1 18 GLY 0.011 0.010 7 0 "[ . 1]"
1 19 VAL 4.512 0.811 4 3 "[ +.- * 1]"
1 20 THR 2.243 0.527 5 1 "[ + 1]"
1 21 ILE 1.377 0.351 2 0 "[ . 1]"
1 22 ARG 2.830 0.413 1 0 "[ . 1]"
1 23 GLU 3.130 0.513 5 1 "[ + 1]"
1 24 LYS 6.638 0.842 5 2 "[ -+ 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 2 GLU H 1 2 GLU HA 2.900 . 3.900 2.827 2.289 2.953 . 0 0 "[ . 1]" 1
2 1 2 GLU H 1 2 GLU QB 2.600 . 3.500 3.087 2.593 3.334 . 0 0 "[ . 1]" 1
3 1 2 GLU HA 1 3 ARG H 2.500 . 3.400 2.806 2.188 3.525 0.125 9 0 "[ . 1]" 1
4 1 3 ARG H 1 3 ARG HA 2.800 . 3.800 2.959 2.892 2.973 . 0 0 "[ . 1]" 1
5 1 3 ARG QB 1 3 ARG QD 2.500 . 3.400 2.314 2.126 2.429 . 0 0 "[ . 1]" 1
6 1 3 ARG QB 1 3 ARG HE 2.600 . 5.000 4.239 3.957 4.491 . 0 0 "[ . 1]" 1
7 1 3 ARG H 1 3 ARG QB 2.900 . 3.900 2.667 2.512 3.265 . 0 0 "[ . 1]" 1
8 1 3 ARG QD 1 3 ARG HE 2.400 . 3.300 2.263 2.184 2.508 . 0 0 "[ . 1]" 1
9 1 3 ARG H 1 3 ARG QD 3.200 2.100 4.300 2.897 2.154 4.330 0.030 9 0 "[ . 1]" 1
10 1 3 ARG H 1 3 ARG QG 2.900 . 3.800 3.303 2.607 3.700 . 0 0 "[ . 1]" 1
11 1 3 ARG HA 1 4 PHE H 2.500 . 3.400 2.319 2.171 2.480 . 0 0 "[ . 1]" 1
12 1 4 PHE H 1 4 PHE HA 2.900 . 3.900 2.926 2.793 2.985 . 0 0 "[ . 1]" 1
13 1 4 PHE H 1 4 PHE QB 3.100 . 3.800 2.713 2.485 3.059 . 0 0 "[ . 1]" 1
14 1 5 TYR HA 1 5 TYR QD 2.700 . 3.600 2.715 2.271 3.141 . 0 0 "[ . 1]" 1
15 1 5 TYR H 1 5 TYR HA 2.500 . 3.400 2.812 2.211 2.975 . 0 0 "[ . 1]" 1
16 1 5 TYR QB 1 5 TYR QD 2.700 . 3.400 2.172 2.152 2.201 . 0 0 "[ . 1]" 1
17 1 5 TYR H 1 5 TYR QB 2.900 . 3.800 2.638 2.220 3.381 . 0 0 "[ . 1]" 1
18 1 5 TYR H 1 5 TYR QD 2.700 . 5.000 3.405 2.513 4.341 . 0 0 "[ . 1]" 1
19 1 6 GLU HA 1 6 GLU QB 2.600 . 3.500 2.358 2.327 2.384 . 0 0 "[ . 1]" 1
20 1 6 GLU H 1 6 GLU HA 2.400 . 3.300 2.897 2.740 2.979 . 0 0 "[ . 1]" 1
21 1 6 GLU H 1 6 GLU QB 2.900 . 3.900 2.721 2.440 2.935 . 0 0 "[ . 1]" 1
22 1 6 GLU H 1 6 GLU QG 2.900 . 3.900 3.722 3.085 4.241 0.341 9 0 "[ . 1]" 1
23 1 7 LYS H 1 7 LYS HA 2.500 . 3.400 2.957 2.881 2.974 . 0 0 "[ . 1]" 1
24 1 7 LYS H 1 7 LYS QB 2.700 . 3.600 2.866 2.479 2.984 . 0 0 "[ . 1]" 1
25 1 7 LYS H 1 7 LYS QD 2.700 . 5.000 3.584 1.527 4.512 . 0 0 "[ . 1]" 1
26 1 10 VAL HA 1 10 VAL HB 2.900 . 3.900 2.854 2.428 3.037 . 0 0 "[ . 1]" 1
27 1 10 VAL HA 1 10 VAL QG 2.600 . 3.500 2.157 2.081 2.283 . 0 0 "[ . 1]" 1
28 1 10 VAL H 1 10 VAL HB 2.700 . 3.600 2.844 2.428 3.704 0.104 9 0 "[ . 1]" 1
29 1 10 VAL H 1 10 VAL QG 2.700 . 3.700 2.367 1.760 2.942 . 0 0 "[ . 1]" 1
30 1 11 GLN H 1 11 GLN HA 2.600 . 3.500 2.964 2.939 2.980 . 0 0 "[ . 1]" 1
31 1 11 GLN QB 1 11 GLN QG 2.300 . 3.100 2.054 2.005 2.109 . 0 0 "[ . 1]" 1
32 1 11 GLN H 1 11 GLN QB 2.600 . 3.500 2.604 2.354 3.158 . 0 0 "[ . 1]" 1
33 1 11 GLN H 1 11 GLN QG 2.900 . 3.900 3.350 2.394 4.160 0.260 2 0 "[ . 1]" 1
34 1 11 GLN H 1 12 LYS HA 2.400 . 3.200 2.136 1.995 2.204 . 0 0 "[ . 1]" 1
35 1 12 LYS H 1 12 LYS HA 2.800 . 3.800 2.926 2.811 2.969 . 0 0 "[ . 1]" 1
36 1 12 LYS H 1 12 LYS QB 2.700 . 3.700 2.789 2.367 3.428 . 0 0 "[ . 1]" 1
37 1 12 LYS H 1 12 LYS QD 2.800 . 5.000 3.649 2.129 4.895 . 0 0 "[ . 1]" 1
38 1 12 LYS QE 1 12 LYS QG 2.700 . 3.600 2.384 2.128 2.843 . 0 0 "[ . 1]" 1
39 1 12 LYS H 1 12 LYS QG 3.100 . 4.200 3.174 2.069 4.069 . 0 0 "[ . 1]" 1
40 1 12 LYS QG 1 12 LYS QZ 3.200 2.100 4.300 2.441 1.963 3.481 0.137 7 0 "[ . 1]" 1
41 1 12 LYS H 1 13 PHE HA 2.600 . 3.500 2.220 2.012 2.725 . 0 0 "[ . 1]" 1
42 1 13 PHE H 1 13 PHE HA 3.300 2.200 4.400 2.931 2.607 2.977 . 0 0 "[ . 1]" 1
43 1 13 PHE H 1 13 PHE QB 3.100 . 4.200 2.612 2.373 3.340 . 0 0 "[ . 1]" 1
44 1 13 PHE H 1 14 ILE HA 2.600 . 3.500 2.129 1.988 2.303 . 0 0 "[ . 1]" 1
45 1 14 ILE H 1 14 ILE HA 2.600 . 3.500 2.920 2.873 2.980 . 0 0 "[ . 1]" 1
46 1 14 ILE H 1 14 ILE MD 3.200 . 4.300 3.179 1.874 4.249 . 0 0 "[ . 1]" 1
47 1 14 ILE H 1 14 ILE QG 3.300 2.200 3.600 2.635 2.087 3.214 0.113 9 0 "[ . 1]" 1
48 1 14 ILE H 1 15 ARG HA 2.700 . 3.600 2.325 2.121 2.650 . 0 0 "[ . 1]" 1
49 1 15 ARG H 1 15 ARG HA 2.700 . 3.700 2.867 2.745 2.972 . 0 0 "[ . 1]" 1
50 1 15 ARG QB 1 15 ARG HE 2.800 . 3.800 3.267 1.989 4.392 0.592 2 1 "[ + . 1]" 1
51 1 15 ARG H 1 15 ARG QB 2.800 . 3.800 3.070 2.483 3.458 . 0 0 "[ . 1]" 1
52 1 15 ARG QD 1 15 ARG HE 2.400 . 3.300 2.349 2.172 2.507 . 0 0 "[ . 1]" 1
53 1 15 ARG H 1 15 ARG QD 3.400 2.200 4.600 3.501 1.717 5.192 0.592 4 1 "[ +. 1]" 1
54 1 15 ARG H 1 15 ARG QG 2.900 . 3.900 3.092 2.557 4.087 0.187 4 0 "[ . 1]" 1
55 1 15 ARG H 1 16 VAL HA 2.500 . 3.400 2.328 2.156 2.641 . 0 0 "[ . 1]" 1
56 1 16 VAL H 1 16 VAL HA 2.400 . 3.300 2.900 2.798 2.955 . 0 0 "[ . 1]" 1
57 1 16 VAL H 1 16 VAL HB 2.500 . 5.000 3.596 2.697 4.051 . 0 0 "[ . 1]" 1
58 1 16 VAL H 1 16 VAL QG 2.700 . 3.600 2.448 1.778 3.199 0.022 3 0 "[ . 1]" 1
59 1 18 GLY H 1 18 GLY QA 2.900 2.200 3.900 2.226 2.190 2.419 0.010 7 0 "[ . 1]" 1
60 1 19 VAL HA 1 19 VAL QG 2.800 . 3.800 2.204 2.056 2.293 . 0 0 "[ . 1]" 1
61 1 19 VAL H 1 19 VAL HA 3.800 2.500 5.100 2.828 2.311 2.964 0.189 10 0 "[ . 1]" 1
62 1 19 VAL H 1 19 VAL HB 2.800 . 3.800 3.409 2.542 3.869 0.069 2 0 "[ . 1]" 1
63 1 19 VAL H 1 19 VAL QG 2.900 . 3.900 2.356 1.827 2.970 0.073 1 0 "[ . 1]" 1
64 1 19 VAL HA 1 20 THR H 2.400 . 3.200 2.651 2.226 3.378 0.178 5 0 "[ . 1]" 1
65 1 20 THR H 1 20 THR HA 3.700 2.400 5.000 2.945 2.829 2.974 . 0 0 "[ . 1]" 1
66 1 20 THR H 1 20 THR HB 2.800 . 3.800 3.212 2.512 3.911 0.111 6 0 "[ . 1]" 1
67 1 20 THR H 1 20 THR MG 3.200 2.100 4.300 2.879 1.943 3.989 0.157 4 0 "[ . 1]" 1
68 1 20 THR HA 1 21 ILE H 2.600 . 3.500 2.252 2.110 2.647 . 0 0 "[ . 1]" 1
69 1 21 ILE H 1 21 ILE HA 2.700 . 3.700 2.919 2.834 2.968 . 0 0 "[ . 1]" 1
70 1 21 ILE HB 1 21 ILE MG 2.400 . 3.200 2.144 2.139 2.150 . 0 0 "[ . 1]" 1
71 1 21 ILE H 1 21 ILE HB 2.600 . 3.500 3.289 2.508 3.777 0.277 9 0 "[ . 1]" 1
72 1 21 ILE H 1 21 ILE MG 2.600 . 3.500 2.687 1.813 3.851 0.351 2 0 "[ . 1]" 1
73 1 22 ARG H 1 22 ARG HA 2.400 . 3.200 2.938 2.835 2.972 . 0 0 "[ . 1]" 1
74 1 22 ARG QB 1 22 ARG QD 2.600 . 3.500 2.431 2.264 2.824 . 0 0 "[ . 1]" 1
75 1 22 ARG QB 1 22 ARG HE 2.900 . 3.900 3.061 1.972 4.156 0.256 7 0 "[ . 1]" 1
76 1 22 ARG H 1 22 ARG QB 2.700 . 3.600 2.732 2.333 3.380 . 0 0 "[ . 1]" 1
77 1 22 ARG QD 1 22 ARG HE 2.500 . 3.400 2.354 2.179 2.509 . 0 0 "[ . 1]" 1
78 1 22 ARG H 1 22 ARG QD 3.400 2.200 4.600 3.912 1.787 4.802 0.413 1 0 "[ . 1]" 1
79 1 22 ARG HE 1 22 ARG QG 2.700 . 3.700 2.777 2.191 3.342 . 0 0 "[ . 1]" 1
80 1 22 ARG HE 1 22 ARG QH 2.200 . 3.000 2.203 2.194 2.210 . 0 0 "[ . 1]" 1
81 1 22 ARG H 1 22 ARG QG 2.900 . 3.900 3.155 2.138 4.058 0.158 7 0 "[ . 1]" 1
82 1 23 GLU H 1 23 GLU HA 2.800 . 3.800 2.903 2.854 2.964 . 0 0 "[ . 1]" 1
83 1 23 GLU H 1 23 GLU QB 2.900 . 3.900 2.786 2.271 3.326 . 0 0 "[ . 1]" 1
84 1 23 GLU H 1 23 GLU QG 2.900 . 3.900 3.465 2.445 4.220 0.320 4 0 "[ . 1]" 1
85 1 23 GLU HA 1 24 LYS H 2.400 . 3.200 2.391 2.168 2.629 . 0 0 "[ . 1]" 1
86 1 24 LYS H 1 24 LYS HA 2.700 . 3.600 2.690 2.284 2.958 . 0 0 "[ . 1]" 1
87 1 24 LYS QB 1 24 LYS QE 2.500 . 3.400 3.240 2.074 3.858 0.458 2 0 "[ . 1]" 1
88 1 24 LYS H 1 24 LYS QB 2.700 . 3.600 2.787 2.295 3.396 . 0 0 "[ . 1]" 1
89 1 24 LYS QB 1 24 LYS QZ 2.900 . 3.900 3.426 2.351 4.147 0.247 4 0 "[ . 1]" 1
90 1 24 LYS H 1 24 LYS QD 2.800 . 5.000 2.718 1.689 4.447 0.111 7 0 "[ . 1]" 1
91 1 24 LYS QD 1 24 LYS QZ 2.700 . 3.600 2.126 2.014 2.218 . 0 0 "[ . 1]" 1
92 1 24 LYS QE 1 24 LYS QG 2.600 . 3.500 2.358 2.099 2.873 . 0 0 "[ . 1]" 1
93 1 24 LYS H 1 24 LYS QG 2.900 . 3.900 3.000 1.913 3.965 0.065 8 0 "[ . 1]" 1
94 1 24 LYS QG 1 24 LYS QZ 3.000 . 4.000 2.543 1.960 3.467 0.040 6 0 "[ . 1]" 1
95 1 3 ARG HA 1 13 PHE HZ 3.100 . 4.600 4.773 3.883 5.130 0.530 10 1 "[ . +]" 1
96 1 4 PHE QB 1 22 ARG QH 3.800 2.800 5.000 4.747 3.630 5.086 0.086 2 0 "[ . 1]" 1
97 1 4 PHE HZ 1 11 GLN QG 3.600 2.600 5.000 4.706 3.767 5.265 0.265 2 0 "[ . 1]" 1
98 1 4 PHE QB 1 22 ARG HE 3.500 2.500 5.000 5.034 4.115 5.286 0.286 9 0 "[ . 1]" 1
99 1 5 TYR QD 1 10 VAL QG 4.000 3.000 5.000 4.979 4.125 5.596 0.596 2 1 "[ + . 1]" 1
100 1 10 VAL HA 1 24 LYS H 3.100 . 4.600 4.955 4.740 5.442 0.842 5 2 "[ -+ 1]" 1
101 1 11 GLN H 1 23 GLU HA 3.100 2.100 4.100 4.103 2.666 4.613 0.513 5 1 "[ + 1]" 1
102 1 15 ARG QD 1 16 VAL H 3.500 2.500 4.500 4.172 2.419 4.996 0.496 4 0 "[ . 1]" 1
103 1 15 ARG HE 1 20 THR MG 3.500 2.500 5.000 4.717 2.314 5.527 0.527 5 1 "[ + 1]" 1
104 1 16 VAL H 1 19 VAL HA 3.200 2.200 5.000 5.388 4.888 5.811 0.811 4 3 "[ +.- * 1]" 1
105 1 2 GLU H 1 15 ARG HA 2.600 . 5.000 4.083 3.034 5.034 0.034 3 0 "[ . 1]" 1
106 1 5 TYR HA 1 12 LYS H 2.700 . 5.000 3.760 3.049 5.866 0.866 10 1 "[ . +]" 1
107 1 6 GLU H 1 11 GLN HA 3.800 2.800 5.000 3.206 2.618 4.312 0.182 8 0 "[ . 1]" 1
108 1 11 GLN H 1 24 LYS HA 2.700 . 5.000 4.340 3.741 5.099 0.099 2 0 "[ . 1]" 1
109 1 12 LYS HA 1 23 GLU H 2.500 . 5.000 2.660 1.700 3.538 . 0 0 "[ . 1]" 1
110 1 14 ILE HA 1 21 ILE H 1.700 . 5.000 3.749 2.909 5.163 0.163 1 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 16
_Distance_constraint_stats_list.Viol_count 82
_Distance_constraint_stats_list.Viol_total 150.317
_Distance_constraint_stats_list.Viol_max 0.568
_Distance_constraint_stats_list.Viol_rms 0.1272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0939
_Distance_constraint_stats_list.Viol_average_violations_only 0.1833
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 3.079 0.332 2 0 "[ . 1]"
1 4 PHE 2.273 0.568 9 1 "[ . +1]"
1 6 GLU 4.393 0.488 4 0 "[ . 1]"
1 10 VAL 1.770 0.370 4 0 "[ . 1]"
1 11 GLN 1.184 0.241 3 0 "[ . 1]"
1 12 LYS 3.489 0.568 9 1 "[ . +1]"
1 13 PHE 4.103 0.400 9 0 "[ . 1]"
1 14 ILE 4.486 0.332 2 0 "[ . 1]"
1 21 ILE 1.915 0.400 9 0 "[ . 1]"
1 23 GLU 3.372 0.387 9 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 13 PHE H 1 21 ILE O 1.900 . 2.500 2.639 2.261 2.900 0.400 9 0 "[ . 1]" 2
2 1 13 PHE N 1 21 ILE O 2.900 2.400 3.600 3.439 3.079 3.783 0.183 9 0 "[ . 1]" 2
3 1 13 PHE O 1 23 GLU H 1.900 . 2.500 2.698 2.399 2.887 0.387 9 0 "[ . 1]" 2
4 1 13 PHE O 1 23 GLU N 2.900 2.400 3.600 3.475 3.240 3.666 0.066 1 0 "[ . 1]" 2
5 1 11 GLN H 1 23 GLU O 1.900 . 2.500 2.407 1.781 2.741 0.241 3 0 "[ . 1]" 2
6 1 11 GLN N 1 23 GLU O 2.900 2.400 3.600 3.238 2.524 3.666 0.066 3 0 "[ . 1]" 2
7 1 6 GLU O 1 10 VAL H 1.900 . 2.500 2.645 2.430 2.870 0.370 4 0 "[ . 1]" 2
8 1 6 GLU O 1 10 VAL N 2.900 2.400 3.600 3.495 3.249 3.780 0.180 6 0 "[ . 1]" 2
9 1 6 GLU H 1 12 LYS O 1.900 . 2.500 2.720 2.224 2.988 0.488 4 0 "[ . 1]" 2
10 1 6 GLU N 1 12 LYS O 2.900 2.400 3.600 3.271 2.443 3.694 0.094 1 0 "[ . 1]" 2
11 1 4 PHE O 1 12 LYS H 1.900 . 2.500 2.335 1.946 3.068 0.568 9 1 "[ . +1]" 2
12 1 4 PHE O 1 12 LYS N 2.900 2.400 3.600 3.094 2.810 3.594 . 0 0 "[ . 1]" 2
13 1 4 PHE H 1 14 ILE O 1.900 . 2.500 2.607 2.427 2.804 0.304 9 0 "[ . 1]" 2
14 1 4 PHE N 1 14 ILE O 2.900 2.400 3.600 3.499 3.252 3.715 0.115 2 0 "[ . 1]" 2
15 1 2 GLU O 1 14 ILE H 1.900 . 2.500 2.750 2.639 2.832 0.332 2 0 "[ . 1]" 2
16 1 2 GLU O 1 14 ILE N 2.900 2.400 3.600 3.624 3.465 3.805 0.205 2 0 "[ . 1]" 2
stop_
save_
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