NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575740 |
2m0q   |
18817 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m0q
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 252
_Distance_constraint_stats_list.Viol_count 122
_Distance_constraint_stats_list.Viol_total 161.458
_Distance_constraint_stats_list.Viol_max 0.556
_Distance_constraint_stats_list.Viol_rms 0.0403
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.1323
_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 4 LEU 0.000 0.000 . 0 "[ . 1]"
1 5 SER 0.000 0.000 . 0 "[ . 1]"
1 6 ASN 0.000 0.000 . 0 "[ . 1]"
1 7 PHE 0.055 0.017 4 0 "[ . 1]"
1 8 THR 0.070 0.070 10 0 "[ . 1]"
1 9 GLN 0.055 0.017 4 0 "[ . 1]"
1 10 THR 0.062 0.034 4 0 "[ . 1]"
1 11 LEU 0.000 0.000 . 0 "[ . 1]"
1 12 GLU 0.000 0.000 . 0 "[ . 1]"
1 13 ASP 0.000 0.000 . 0 "[ . 1]"
1 14 VAL 1.923 0.225 8 0 "[ . 1]"
1 15 PHE 1.003 0.215 6 0 "[ . 1]"
1 16 ARG 1.923 0.225 8 0 "[ . 1]"
1 17 ARG 0.000 0.000 . 0 "[ . 1]"
1 18 ILE 1.010 0.215 6 0 "[ . 1]"
1 19 PHE 4.886 0.556 2 2 "[ + . -]"
1 20 ILE 0.103 0.076 7 0 "[ . 1]"
1 21 THR 0.053 0.053 2 0 "[ . 1]"
1 22 TYR 6.946 0.556 2 2 "[ + . -]"
1 23 MET 0.000 0.000 . 0 "[ . 1]"
1 24 ASP 2.067 0.248 2 0 "[ . 1]"
1 25 ASN 0.000 0.000 . 0 "[ . 1]"
1 26 TRP 0.156 0.105 10 0 "[ . 1]"
1 27 ARG 0.000 0.000 . 0 "[ . 1]"
1 28 GLN 0.189 0.083 7 0 "[ . 1]"
1 29 ASN 0.084 0.084 4 0 "[ . 1]"
1 30 THR 0.011 0.011 10 0 "[ . 1]"
1 31 THR 0.365 0.080 10 0 "[ . 1]"
1 32 ALA 0.000 0.000 . 0 "[ . 1]"
1 33 GLU 0.000 0.000 . 0 "[ . 1]"
1 34 GLN 0.000 0.000 . 0 "[ . 1]"
1 35 GLU 0.000 0.000 . 0 "[ . 1]"
1 36 ALA 0.000 0.000 . 0 "[ . 1]"
1 37 LEU 0.000 0.000 . 0 "[ . 1]"
1 38 GLN 0.040 0.029 8 0 "[ . 1]"
1 39 ALA 0.040 0.029 8 0 "[ . 1]"
1 40 LYS 0.000 0.000 . 0 "[ . 1]"
1 41 VAL 0.461 0.100 7 0 "[ . 1]"
1 42 ASP 0.505 0.100 7 0 "[ . 1]"
1 43 ALA 0.044 0.032 6 0 "[ . 1]"
1 44 GLU 0.000 0.000 . 0 "[ . 1]"
1 45 ASN 0.000 0.000 . 0 "[ . 1]"
1 46 PHE 0.005 0.005 8 0 "[ . 1]"
1 47 TYR 0.000 0.000 . 0 "[ . 1]"
1 48 TYR 0.000 0.000 . 0 "[ . 1]"
1 50 ILE 0.000 0.000 . 0 "[ . 1]"
1 51 LEU 0.000 0.000 . 0 "[ . 1]"
1 54 MET 0.000 0.000 . 0 "[ . 1]"
1 57 ILE 0.000 0.000 . 0 "[ . 1]"
1 58 GLY 0.000 0.000 . 0 "[ . 1]"
1 59 MET 0.000 0.000 . 0 "[ . 1]"
1 60 PHE 0.000 0.000 . 0 "[ . 1]"
1 61 SER 0.000 0.000 . 0 "[ . 1]"
1 62 PHE 0.000 0.000 . 0 "[ . 1]"
1 63 ILE 0.000 0.000 . 0 "[ . 1]"
1 65 VAL 0.000 0.000 . 0 "[ . 1]"
1 67 ILE 0.000 0.000 . 0 "[ . 1]"
1 68 LEU 0.000 0.000 . 0 "[ . 1]"
1 69 VAL 0.000 0.000 . 0 "[ . 1]"
1 70 SER 2.145 0.243 9 0 "[ . 1]"
1 72 VAL 3.542 0.243 9 0 "[ . 1]"
1 74 SER 1.398 0.174 3 0 "[ . 1]"
1 75 LYS 0.000 0.000 . 0 "[ . 1]"
1 93 GLN 0.000 0.000 . 0 "[ . 1]"
1 94 GLU 0.882 0.115 7 0 "[ . 1]"
1 95 LYS 0.000 0.000 . 0 "[ . 1]"
1 96 TYR 0.882 0.115 7 0 "[ . 1]"
1 97 LYS 0.000 0.000 . 0 "[ . 1]"
1 98 SER 0.066 0.066 7 0 "[ . 1]"
1 99 GLN 0.000 0.000 . 0 "[ . 1]"
1 100 ILE 0.066 0.066 7 0 "[ . 1]"
1 101 LEU 0.000 0.000 . 0 "[ . 1]"
1 102 ASN 0.000 0.000 . 0 "[ . 1]"
1 103 LEU 0.000 0.000 . 0 "[ . 1]"
1 104 GLU 0.000 0.000 . 0 "[ . 1]"
1 105 GLU 0.000 0.000 . 0 "[ . 1]"
1 106 SER 0.000 0.000 . 0 "[ . 1]"
1 109 THR 0.000 0.000 . 0 "[ . 1]"
1 110 ILE 0.000 0.000 . 0 "[ . 1]"
1 111 HIS 0.000 0.000 . 0 "[ . 1]"
1 112 GLU 0.000 0.000 . 0 "[ . 1]"
1 113 ASN 0.000 0.000 . 0 "[ . 1]"
1 114 ILE 0.000 0.000 . 0 "[ . 1]"
1 115 GLY 0.000 0.000 . 0 "[ . 1]"
1 116 ALA 0.000 0.000 . 0 "[ . 1]"
1 117 ALA 0.009 0.009 10 0 "[ . 1]"
1 118 GLY 0.022 0.009 10 0 "[ . 1]"
1 119 PHE 0.071 0.025 2 0 "[ . 1]"
1 120 LYS 0.058 0.025 2 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU H 1 4 LEU HA 2.500 . 3.500 2.807 2.778 2.866 . 0 0 "[ . 1]" 1
2 1 4 LEU H 1 4 LEU QB 2.500 . 3.500 2.320 2.076 2.684 . 0 0 "[ . 1]" 1
3 1 4 LEU H 1 5 SER H 2.500 . 3.500 2.699 2.557 2.774 . 0 0 "[ . 1]" 1
4 1 4 LEU HA 1 5 SER H 4.000 . 5.000 3.535 3.516 3.556 . 0 0 "[ . 1]" 1
5 1 4 LEU QB 1 5 SER H 2.500 . 3.500 2.734 2.480 3.361 . 0 0 "[ . 1]" 1
6 1 5 SER H 1 5 SER HA 2.500 . 3.500 2.839 2.801 2.885 . 0 0 "[ . 1]" 1
7 1 5 SER H 1 5 SER QB 2.500 . 3.500 2.303 2.060 2.797 . 0 0 "[ . 1]" 1
8 1 5 SER H 1 6 ASN H 3.500 . 4.500 2.606 2.489 2.708 . 0 0 "[ . 1]" 1
9 1 6 ASN H 1 6 ASN HA 2.500 . 3.500 2.838 2.802 2.882 . 0 0 "[ . 1]" 1
10 1 6 ASN H 1 6 ASN QB 2.500 . 3.500 2.284 2.165 2.653 . 0 0 "[ . 1]" 1
11 1 6 ASN HA 1 7 PHE H 3.500 . 4.500 3.518 3.502 3.545 . 0 0 "[ . 1]" 1
12 1 7 PHE H 1 7 PHE HA 2.500 . 3.500 2.831 2.788 2.875 . 0 0 "[ . 1]" 1
13 1 7 PHE H 1 7 PHE QB 2.500 . 3.500 2.184 2.090 2.275 . 0 0 "[ . 1]" 1
14 1 7 PHE H 1 7 PHE QD 3.500 . 4.500 3.473 1.884 4.188 . 0 0 "[ . 1]" 1
15 1 7 PHE H 1 8 THR H 3.500 . 4.500 2.612 2.460 2.712 . 0 0 "[ . 1]" 1
16 1 7 PHE QB 1 8 THR H 4.500 . 5.500 2.744 2.515 2.950 . 0 0 "[ . 1]" 1
17 1 8 THR H 1 8 THR HA 2.500 . 3.500 2.808 2.774 2.866 . 0 0 "[ . 1]" 1
18 1 8 THR H 1 8 THR HB 2.500 . 3.500 2.872 2.200 3.570 0.070 10 0 "[ . 1]" 1
19 1 8 THR H 1 8 THR MG 4.500 . 5.500 3.373 2.285 3.749 . 0 0 "[ . 1]" 1
20 1 8 THR H 1 9 GLN H 3.500 . 4.500 2.675 2.483 2.769 . 0 0 "[ . 1]" 1
21 1 7 PHE QD 1 9 GLN H 4.500 . 5.500 5.425 5.049 5.517 0.017 4 0 "[ . 1]" 1
22 1 8 THR HB 1 9 GLN H 3.500 . 4.500 2.990 2.598 3.714 . 0 0 "[ . 1]" 1
23 1 9 GLN H 1 9 GLN HA 2.500 . 3.500 2.818 2.787 2.869 . 0 0 "[ . 1]" 1
24 1 9 GLN H 1 9 GLN QB 2.500 . 3.500 2.279 2.067 2.558 . 0 0 "[ . 1]" 1
25 1 9 GLN H 1 9 GLN QG 3.500 . 4.500 3.112 1.822 3.931 . 0 0 "[ . 1]" 1
26 1 9 GLN H 1 10 THR H 2.500 . 3.500 2.663 2.490 2.774 . 0 0 "[ . 1]" 1
27 1 9 GLN QB 1 10 THR H 2.500 . 3.500 2.655 2.458 2.830 . 0 0 "[ . 1]" 1
28 1 9 GLN QG 1 10 THR H 4.500 2.800 5.500 4.123 3.542 4.620 . 0 0 "[ . 1]" 1
29 1 10 THR H 1 10 THR HA 2.500 . 3.500 2.843 2.805 2.878 . 0 0 "[ . 1]" 1
30 1 10 THR H 1 10 THR HB 2.500 . 3.500 2.829 2.434 3.534 0.034 4 0 "[ . 1]" 1
31 1 10 THR H 1 10 THR MG 4.500 . 5.500 3.425 1.838 3.754 . 0 0 "[ . 1]" 1
32 1 10 THR H 1 11 LEU H 2.500 . 3.500 2.602 2.438 2.764 . 0 0 "[ . 1]" 1
33 1 10 THR H 1 12 GLU H 3.500 . 4.500 4.144 4.052 4.276 . 0 0 "[ . 1]" 1
34 1 11 LEU H 1 11 LEU HA 2.500 . 3.500 2.807 2.787 2.827 . 0 0 "[ . 1]" 1
35 1 11 LEU H 1 11 LEU QB 2.500 . 3.500 2.161 2.073 2.258 . 0 0 "[ . 1]" 1
36 1 11 LEU H 1 12 GLU H 2.500 . 3.500 2.713 2.626 2.789 . 0 0 "[ . 1]" 1
37 1 11 LEU HA 1 12 GLU H 4.500 . 5.500 3.542 3.527 3.559 . 0 0 "[ . 1]" 1
38 1 11 LEU QB 1 12 GLU H 4.500 . 5.500 2.651 2.491 2.766 . 0 0 "[ . 1]" 1
39 1 12 GLU H 1 12 GLU HA 2.500 . 3.500 2.817 2.776 2.866 . 0 0 "[ . 1]" 1
40 1 12 GLU H 1 12 GLU QB 2.500 . 3.500 2.221 2.060 2.421 . 0 0 "[ . 1]" 1
41 1 12 GLU H 1 13 ASP H 2.500 . 3.500 2.669 2.517 2.763 . 0 0 "[ . 1]" 1
42 1 14 VAL H 1 14 VAL HA 2.500 . 3.500 2.875 2.851 2.884 . 0 0 "[ . 1]" 1
43 1 14 VAL H 1 14 VAL HB 2.500 . 3.500 2.485 2.208 2.737 . 0 0 "[ . 1]" 1
44 1 14 VAL H 1 16 ARG H 2.500 . 3.500 3.692 3.664 3.725 0.225 8 0 "[ . 1]" 1
45 1 14 VAL HB 1 15 PHE H 2.500 . 3.500 2.485 2.410 2.623 . 0 0 "[ . 1]" 1
46 1 15 PHE H 1 15 PHE HA 2.500 . 3.500 2.828 2.804 2.858 . 0 0 "[ . 1]" 1
47 1 15 PHE H 1 15 PHE QB 2.500 . 3.500 2.169 2.041 2.261 . 0 0 "[ . 1]" 1
48 1 15 PHE H 1 15 PHE QD 4.500 . 5.500 3.514 2.028 4.179 . 0 0 "[ . 1]" 1
49 1 15 PHE H 1 18 ILE H 3.500 . 4.500 4.600 4.516 4.715 0.215 6 0 "[ . 1]" 1
50 1 15 PHE H 1 16 ARG H 2.500 . 3.500 2.548 2.472 2.618 . 0 0 "[ . 1]" 1
51 1 15 PHE QB 1 16 ARG H 3.500 . 4.500 2.762 2.702 2.837 . 0 0 "[ . 1]" 1
52 1 16 ARG H 1 16 ARG HA 2.500 . 3.500 2.845 2.796 2.867 . 0 0 "[ . 1]" 1
53 1 16 ARG H 1 16 ARG QB 2.500 . 3.500 2.222 2.064 2.279 . 0 0 "[ . 1]" 1
54 1 16 ARG H 1 16 ARG QG 4.500 . 5.500 3.688 2.577 4.024 . 0 0 "[ . 1]" 1
55 1 16 ARG H 1 16 ARG QD 4.500 . 5.500 4.442 4.060 4.973 . 0 0 "[ . 1]" 1
56 1 16 ARG H 1 17 ARG H 2.500 . 3.500 2.612 2.520 2.767 . 0 0 "[ . 1]" 1
57 1 16 ARG H 1 18 ILE H 3.500 . 4.500 3.913 3.791 4.016 . 0 0 "[ . 1]" 1
58 1 17 ARG H 1 17 ARG HA 2.500 . 3.500 2.864 2.826 2.880 . 0 0 "[ . 1]" 1
59 1 17 ARG H 1 17 ARG QB 3.500 . 4.500 2.233 2.094 2.345 . 0 0 "[ . 1]" 1
60 1 17 ARG H 1 17 ARG QG 4.500 . 5.500 3.639 2.418 4.019 . 0 0 "[ . 1]" 1
61 1 17 ARG H 1 17 ARG QD 4.500 . 5.500 4.364 3.494 4.825 . 0 0 "[ . 1]" 1
62 1 17 ARG H 1 18 ILE H 2.500 . 3.500 2.497 2.430 2.640 . 0 0 "[ . 1]" 1
63 1 17 ARG QG 1 18 ILE H 4.500 . 5.500 4.048 3.730 4.367 . 0 0 "[ . 1]" 1
64 1 18 ILE H 1 18 ILE HB 2.500 . 3.500 2.287 2.097 2.455 . 0 0 "[ . 1]" 1
65 1 18 ILE H 1 19 PHE H 2.500 . 3.500 2.586 2.441 2.674 . 0 0 "[ . 1]" 1
66 1 18 ILE HB 1 19 PHE H 2.500 . 3.500 2.981 2.800 3.507 0.007 8 0 "[ . 1]" 1
67 1 19 PHE H 1 19 PHE HA 2.500 . 3.500 2.850 2.842 2.856 . 0 0 "[ . 1]" 1
68 1 19 PHE H 1 19 PHE QB 2.500 . 3.500 2.176 2.054 2.268 . 0 0 "[ . 1]" 1
69 1 19 PHE H 1 19 PHE QD 4.000 . 5.000 3.841 2.745 4.181 . 0 0 "[ . 1]" 1
70 1 19 PHE QB 1 20 ILE H 3.500 . 4.500 2.343 2.275 2.500 . 0 0 "[ . 1]" 1
71 1 19 PHE QD 1 20 ILE H 4.000 . 5.000 3.794 2.756 4.432 . 0 0 "[ . 1]" 1
72 1 20 ILE H 1 20 ILE HA 2.500 . 3.500 2.837 2.815 2.848 . 0 0 "[ . 1]" 1
73 1 20 ILE H 1 20 ILE HB 2.500 . 3.500 2.563 2.152 3.576 0.076 7 0 "[ . 1]" 1
74 1 20 ILE H 1 20 ILE QG 3.500 . 4.500 2.404 1.773 3.920 0.027 7 0 "[ . 1]" 1
75 1 20 ILE H 1 20 ILE MG 4.000 . 5.000 3.461 2.401 3.753 . 0 0 "[ . 1]" 1
76 1 20 ILE H 1 20 ILE MD 3.500 . 4.500 3.380 2.258 4.188 . 0 0 "[ . 1]" 1
77 1 20 ILE H 1 21 THR H 3.500 . 4.500 2.518 2.466 2.649 . 0 0 "[ . 1]" 1
78 1 20 ILE HB 1 21 THR H 3.500 . 4.500 2.848 2.576 3.657 . 0 0 "[ . 1]" 1
79 1 20 ILE QG 1 21 THR H 4.500 . 5.500 3.777 1.896 4.556 . 0 0 "[ . 1]" 1
80 1 21 THR H 1 21 THR HA 2.500 . 3.500 2.871 2.865 2.874 . 0 0 "[ . 1]" 1
81 1 21 THR H 1 21 THR HB 2.500 . 3.500 2.592 2.328 3.553 0.053 2 0 "[ . 1]" 1
82 1 21 THR H 1 22 TYR H 2.500 . 3.500 2.460 2.441 2.494 . 0 0 "[ . 1]" 1
83 1 18 ILE H 1 22 TYR H 4.500 . 5.500 5.257 5.212 5.319 . 0 0 "[ . 1]" 1
84 1 19 PHE H 1 22 TYR H 2.500 . 3.500 3.988 3.947 4.056 0.556 2 2 "[ + . -]" 1
85 1 21 THR HA 1 22 TYR H 3.500 . 4.500 3.546 3.541 3.554 . 0 0 "[ . 1]" 1
86 1 21 THR HB 1 22 TYR H 3.500 . 4.500 2.775 2.660 3.568 . 0 0 "[ . 1]" 1
87 1 22 TYR H 1 22 TYR HA 2.500 . 3.500 2.844 2.806 2.885 . 0 0 "[ . 1]" 1
88 1 22 TYR H 1 22 TYR QB 2.500 . 3.500 2.235 2.204 2.282 . 0 0 "[ . 1]" 1
89 1 22 TYR H 1 22 TYR QD 3.500 . 4.500 4.135 4.089 4.174 . 0 0 "[ . 1]" 1
90 1 22 TYR H 1 23 MET H 2.500 . 3.500 2.697 2.612 2.783 . 0 0 "[ . 1]" 1
91 1 22 TYR QB 1 23 MET H 2.500 . 3.500 2.442 2.336 2.612 . 0 0 "[ . 1]" 1
92 1 22 TYR QD 1 23 MET H 3.500 . 4.500 3.068 2.456 3.669 . 0 0 "[ . 1]" 1
93 1 23 MET H 1 23 MET HA 2.500 . 3.500 2.827 2.807 2.865 . 0 0 "[ . 1]" 1
94 1 23 MET H 1 23 MET QB 2.500 . 3.500 2.243 2.087 2.364 . 0 0 "[ . 1]" 1
95 1 22 TYR H 1 24 ASP H 2.500 . 3.500 3.707 3.630 3.748 0.248 2 0 "[ . 1]" 1
96 1 22 TYR QD 1 24 ASP H 4.500 . 5.500 4.914 4.581 5.126 . 0 0 "[ . 1]" 1
97 1 23 MET HA 1 24 ASP H 3.500 . 4.500 3.476 3.469 3.483 . 0 0 "[ . 1]" 1
98 1 23 MET QB 1 24 ASP H 3.500 . 4.500 2.945 2.855 3.534 . 0 0 "[ . 1]" 1
99 1 24 ASP H 1 24 ASP HA 2.500 . 3.500 2.846 2.794 2.880 . 0 0 "[ . 1]" 1
100 1 24 ASP H 1 24 ASP QB 2.500 . 3.500 2.235 2.087 2.276 . 0 0 "[ . 1]" 1
101 1 24 ASP H 1 25 ASN H 2.500 . 3.500 2.613 2.503 2.810 . 0 0 "[ . 1]" 1
102 1 24 ASP HA 1 25 ASN H 3.500 . 4.500 3.539 3.518 3.562 . 0 0 "[ . 1]" 1
103 1 24 ASP QB 1 25 ASN H 3.500 . 4.500 2.616 2.399 2.738 . 0 0 "[ . 1]" 1
104 1 25 ASN H 1 25 ASN HA 2.500 . 3.500 2.817 2.773 2.859 . 0 0 "[ . 1]" 1
105 1 25 ASN H 1 25 ASN QB 2.500 . 3.500 2.186 2.048 2.356 . 0 0 "[ . 1]" 1
106 1 25 ASN H 1 26 TRP H 2.500 . 3.500 2.669 2.537 2.828 . 0 0 "[ . 1]" 1
107 1 25 ASN QB 1 26 TRP H 3.500 . 4.500 2.817 2.519 3.355 . 0 0 "[ . 1]" 1
108 1 26 TRP H 1 26 TRP HA 2.500 . 3.500 2.803 2.777 2.855 . 0 0 "[ . 1]" 1
109 1 26 TRP H 1 26 TRP HB3 2.500 . 3.500 2.778 2.248 3.329 . 0 0 "[ . 1]" 1
110 1 26 TRP H 1 26 TRP HB2 2.500 . 3.500 2.369 2.069 2.859 . 0 0 "[ . 1]" 1
111 1 26 TRP H 1 26 TRP HD1 3.500 . 4.500 4.240 3.326 4.605 0.105 10 0 "[ . 1]" 1
112 1 26 TRP HA 1 27 ARG H 3.500 . 4.500 3.518 3.497 3.562 . 0 0 "[ . 1]" 1
113 1 26 TRP HB3 1 27 ARG H 3.500 . 4.500 2.855 2.585 3.176 . 0 0 "[ . 1]" 1
114 1 26 TRP HB2 1 27 ARG H 3.500 . 4.500 3.748 3.246 4.104 . 0 0 "[ . 1]" 1
115 1 27 ARG H 1 27 ARG HA 2.500 . 3.500 2.825 2.776 2.867 . 0 0 "[ . 1]" 1
116 1 27 ARG H 1 27 ARG QB 2.500 . 3.500 2.243 2.062 2.523 . 0 0 "[ . 1]" 1
117 1 27 ARG H 1 28 GLN H 2.500 . 3.500 2.621 2.496 2.727 . 0 0 "[ . 1]" 1
118 1 27 ARG HA 1 28 GLN H 3.500 . 4.500 3.504 3.463 3.551 . 0 0 "[ . 1]" 1
119 1 27 ARG QB 1 28 GLN H 3.500 . 4.500 2.774 2.499 2.950 . 0 0 "[ . 1]" 1
120 1 28 GLN H 1 28 GLN HA 2.500 . 3.500 2.867 2.802 2.895 . 0 0 "[ . 1]" 1
121 1 28 GLN H 1 28 GLN HB3 2.500 . 3.500 3.052 2.485 3.583 0.083 7 0 "[ . 1]" 1
122 1 28 GLN H 1 28 GLN HB2 2.500 . 3.500 2.367 2.163 2.642 . 0 0 "[ . 1]" 1
123 1 28 GLN H 1 28 GLN QG 3.500 . 4.500 3.372 2.008 4.004 . 0 0 "[ . 1]" 1
124 1 28 GLN HA 1 29 ASN H 3.500 . 4.500 3.467 3.420 3.556 . 0 0 "[ . 1]" 1
125 1 28 GLN HB3 1 29 ASN H 3.500 . 4.500 3.318 2.913 3.926 . 0 0 "[ . 1]" 1
126 1 28 GLN HB2 1 29 ASN H 3.500 . 4.500 3.552 2.797 4.057 . 0 0 "[ . 1]" 1
127 1 28 GLN QG 1 29 ASN H 3.500 . 4.500 4.197 3.800 4.393 . 0 0 "[ . 1]" 1
128 1 29 ASN H 1 29 ASN HA 2.500 . 3.500 2.851 2.785 2.932 . 0 0 "[ . 1]" 1
129 1 29 ASN H 1 29 ASN HB3 2.500 . 3.500 2.844 2.293 3.584 0.084 4 0 "[ . 1]" 1
130 1 29 ASN H 1 29 ASN HB2 2.500 . 3.500 2.437 2.064 2.785 . 0 0 "[ . 1]" 1
131 1 29 ASN H 1 30 THR H 2.500 . 3.500 2.522 2.165 2.788 . 0 0 "[ . 1]" 1
132 1 29 ASN HB3 1 30 THR H 3.500 . 4.500 3.203 2.520 4.061 . 0 0 "[ . 1]" 1
133 1 29 ASN HB2 1 30 THR H 3.500 . 4.500 3.804 3.167 4.330 . 0 0 "[ . 1]" 1
134 1 30 THR H 1 30 THR HA 2.500 . 3.500 2.830 2.788 2.888 . 0 0 "[ . 1]" 1
135 1 30 THR H 1 30 THR HB 2.500 . 3.500 2.778 2.340 3.511 0.011 10 0 "[ . 1]" 1
136 1 30 THR H 1 31 THR H 3.500 . 4.500 2.638 2.439 2.798 . 0 0 "[ . 1]" 1
137 1 30 THR H 1 32 ALA H 4.500 . 5.500 4.160 3.941 4.466 . 0 0 "[ . 1]" 1
138 1 31 THR H 1 31 THR HA 2.500 . 3.500 2.808 2.773 2.853 . 0 0 "[ . 1]" 1
139 1 31 THR H 1 31 THR HB 2.500 . 3.500 3.176 2.144 3.580 0.080 10 0 "[ . 1]" 1
140 1 31 THR H 1 32 ALA H 2.500 . 3.500 2.690 2.539 2.841 . 0 0 "[ . 1]" 1
141 1 32 ALA H 1 32 ALA HA 2.500 . 3.500 2.800 2.760 2.851 . 0 0 "[ . 1]" 1
142 1 32 ALA H 1 32 ALA MB 2.500 . 3.500 2.142 2.035 2.236 . 0 0 "[ . 1]" 1
143 1 32 ALA MB 1 33 GLU H 2.500 . 3.500 2.672 2.376 2.798 . 0 0 "[ . 1]" 1
144 1 33 GLU H 1 33 GLU HA 2.500 . 3.500 2.826 2.780 2.860 . 0 0 "[ . 1]" 1
145 1 33 GLU H 1 33 GLU QB 2.500 . 3.500 2.283 2.061 2.577 . 0 0 "[ . 1]" 1
146 1 33 GLU H 1 36 ALA H 4.500 . 5.500 4.882 4.398 5.375 . 0 0 "[ . 1]" 1
147 1 33 GLU H 1 36 ALA MB 4.500 . 5.500 4.895 4.368 5.478 . 0 0 "[ . 1]" 1
148 1 33 GLU HA 1 34 GLN H 3.500 . 4.500 3.542 3.515 3.562 . 0 0 "[ . 1]" 1
149 1 34 GLN H 1 34 GLN HA 2.500 . 3.500 2.815 2.779 2.866 . 0 0 "[ . 1]" 1
150 1 34 GLN H 1 34 GLN QB 2.500 . 3.500 2.300 2.141 2.669 . 0 0 "[ . 1]" 1
151 1 34 GLN QB 1 35 GLU H 3.500 . 4.500 2.617 2.484 2.744 . 0 0 "[ . 1]" 1
152 1 35 GLU H 1 35 GLU HA 2.500 . 3.500 2.823 2.777 2.863 . 0 0 "[ . 1]" 1
153 1 35 GLU H 1 35 GLU QB 2.500 . 3.500 2.178 2.060 2.384 . 0 0 "[ . 1]" 1
154 1 35 GLU H 1 36 ALA H 2.500 . 3.500 2.663 2.529 2.837 . 0 0 "[ . 1]" 1
155 1 35 GLU HA 1 36 ALA H 3.500 . 4.500 3.540 3.519 3.559 . 0 0 "[ . 1]" 1
156 1 35 GLU QB 1 36 ALA H 3.500 . 4.500 2.652 2.477 3.289 . 0 0 "[ . 1]" 1
157 1 36 ALA H 1 36 ALA HA 2.500 . 3.500 2.809 2.772 2.867 . 0 0 "[ . 1]" 1
158 1 36 ALA H 1 36 ALA MB 2.500 . 3.500 2.137 2.036 2.248 . 0 0 "[ . 1]" 1
159 1 36 ALA MB 1 37 LEU H 2.500 . 3.500 2.677 2.532 2.810 . 0 0 "[ . 1]" 1
160 1 37 LEU H 1 37 LEU HA 2.500 . 3.500 2.822 2.767 2.864 . 0 0 "[ . 1]" 1
161 1 37 LEU H 1 37 LEU QB 2.500 . 3.500 2.203 2.081 2.467 . 0 0 "[ . 1]" 1
162 1 37 LEU H 1 38 GLN H 2.500 . 3.500 2.700 2.577 2.913 . 0 0 "[ . 1]" 1
163 1 37 LEU H 1 39 ALA H 4.000 . 5.000 3.905 3.700 4.153 . 0 0 "[ . 1]" 1
164 1 38 GLN H 1 38 GLN HA 2.500 . 3.500 2.826 2.779 2.867 . 0 0 "[ . 1]" 1
165 1 38 GLN H 1 38 GLN QB 2.500 . 3.500 2.377 2.145 2.672 . 0 0 "[ . 1]" 1
166 1 38 GLN H 1 38 GLN QG 2.500 . 3.500 2.365 1.837 2.891 . 0 0 "[ . 1]" 1
167 1 38 GLN H 1 39 ALA H 2.500 . 3.500 2.600 2.473 2.721 . 0 0 "[ . 1]" 1
168 1 38 GLN HA 1 39 ALA H 2.500 . 3.500 3.479 3.456 3.529 0.029 8 0 "[ . 1]" 1
169 1 38 GLN QB 1 39 ALA H 3.500 . 4.500 3.051 2.621 3.628 . 0 0 "[ . 1]" 1
170 1 38 GLN QG 1 39 ALA H 4.000 . 5.000 3.550 2.124 4.308 . 0 0 "[ . 1]" 1
171 1 39 ALA H 1 39 ALA HA 2.500 . 3.500 2.827 2.777 2.864 . 0 0 "[ . 1]" 1
172 1 39 ALA H 1 39 ALA MB 2.500 . 3.500 2.181 2.077 2.244 . 0 0 "[ . 1]" 1
173 1 39 ALA MB 1 40 LYS H 3.500 . 4.500 2.767 2.518 2.938 . 0 0 "[ . 1]" 1
174 1 40 LYS H 1 40 LYS HA 2.500 . 3.500 2.895 2.834 2.942 . 0 0 "[ . 1]" 1
175 1 40 LYS H 1 40 LYS QB 2.500 . 3.500 2.280 2.080 2.712 . 0 0 "[ . 1]" 1
176 1 41 VAL H 1 41 VAL HA 2.500 . 3.500 2.713 2.355 2.958 . 0 0 "[ . 1]" 1
177 1 41 VAL H 1 41 VAL HB 3.500 . 4.500 2.658 2.260 2.963 . 0 0 "[ . 1]" 1
178 1 41 VAL H 1 42 ASP H 3.500 2.800 4.500 3.453 2.788 4.520 0.020 1 0 "[ . 1]" 1
179 1 41 VAL HA 1 42 ASP H 3.500 2.800 4.500 2.960 2.700 3.527 0.100 7 0 "[ . 1]" 1
180 1 41 VAL HB 1 42 ASP H 3.500 2.800 4.500 3.954 3.205 4.583 0.083 3 0 "[ . 1]" 1
181 1 42 ASP H 1 42 ASP HA 2.500 . 3.500 2.565 2.293 2.938 . 0 0 "[ . 1]" 1
182 1 42 ASP H 1 42 ASP QB 2.500 . 3.500 2.810 2.337 3.379 . 0 0 "[ . 1]" 1
183 1 42 ASP H 1 43 ALA H 3.500 2.800 4.500 3.311 2.768 4.192 0.032 6 0 "[ . 1]" 1
184 1 42 ASP HA 1 43 ALA H 3.500 . 4.500 2.641 2.160 3.333 . 0 0 "[ . 1]" 1
185 1 42 ASP QB 1 43 ALA H 3.500 2.800 4.500 3.867 3.269 4.003 . 0 0 "[ . 1]" 1
186 1 43 ALA H 1 43 ALA HA 2.500 . 3.500 2.825 2.772 2.871 . 0 0 "[ . 1]" 1
187 1 43 ALA MB 1 44 GLU H 3.500 . 4.500 2.844 2.387 3.150 . 0 0 "[ . 1]" 1
188 1 44 GLU H 1 44 GLU HA 2.500 . 3.500 2.834 2.800 2.878 . 0 0 "[ . 1]" 1
189 1 44 GLU H 1 44 GLU QB 3.500 . 4.500 2.263 2.075 2.743 . 0 0 "[ . 1]" 1
190 1 44 GLU H 1 45 ASN H 3.500 . 4.500 2.629 2.419 2.800 . 0 0 "[ . 1]" 1
191 1 44 GLU HA 1 45 ASN H 3.500 . 4.500 3.530 3.475 3.569 . 0 0 "[ . 1]" 1
192 1 44 GLU QB 1 45 ASN H 3.500 . 4.500 2.654 2.351 2.896 . 0 0 "[ . 1]" 1
193 1 45 ASN H 1 45 ASN HA 2.500 . 3.500 2.428 2.293 2.911 . 0 0 "[ . 1]" 1
194 1 45 ASN H 1 45 ASN QB 2.500 . 3.500 3.004 2.182 3.480 . 0 0 "[ . 1]" 1
195 1 46 PHE H 1 46 PHE HA 2.500 . 3.500 2.815 2.772 2.863 . 0 0 "[ . 1]" 1
196 1 46 PHE H 1 46 PHE QB 3.500 . 4.500 2.274 2.044 2.754 . 0 0 "[ . 1]" 1
197 1 46 PHE H 1 46 PHE QD 4.000 . 5.000 3.181 1.795 4.174 0.005 8 0 "[ . 1]" 1
198 1 47 TYR H 1 47 TYR QB 3.500 . 4.500 2.285 2.085 2.919 . 0 0 "[ . 1]" 1
199 1 47 TYR H 1 48 TYR H 2.500 . 3.500 2.629 2.486 2.826 . 0 0 "[ . 1]" 1
200 1 48 TYR H 1 48 TYR QB 3.500 . 4.500 2.195 2.109 2.289 . 0 0 "[ . 1]" 1
201 1 50 ILE H 1 51 LEU H 2.500 . 3.500 2.640 2.449 2.751 . 0 0 "[ . 1]" 1
202 1 54 MET H 1 54 MET QB 3.500 . 4.500 2.218 2.156 2.253 . 0 0 "[ . 1]" 1
203 1 57 ILE H 1 57 ILE HB 3.500 . 4.500 2.441 2.186 2.732 . 0 0 "[ . 1]" 1
204 1 57 ILE H 1 58 GLY H 2.500 . 3.500 2.730 2.567 2.809 . 0 0 "[ . 1]" 1
205 1 57 ILE HB 1 58 GLY H 4.000 . 5.000 3.087 2.539 3.855 . 0 0 "[ . 1]" 1
206 1 58 GLY H 1 59 MET H 2.500 . 3.500 2.721 2.606 2.819 . 0 0 "[ . 1]" 1
207 1 59 MET H 1 60 PHE H 2.500 . 3.500 2.650 2.562 2.757 . 0 0 "[ . 1]" 1
208 1 58 GLY QA 1 59 MET H 3.500 . 4.500 2.712 2.668 2.756 . 0 0 "[ . 1]" 1
209 1 59 MET H 1 59 MET QB 3.500 . 4.500 2.240 2.127 2.336 . 0 0 "[ . 1]" 1
210 1 60 PHE H 1 60 PHE HB3 3.500 . 4.500 2.885 2.376 3.383 . 0 0 "[ . 1]" 1
211 1 60 PHE H 1 60 PHE HB2 3.500 . 4.500 2.274 2.088 2.716 . 0 0 "[ . 1]" 1
212 1 60 PHE H 1 61 SER H 2.500 . 3.500 2.681 2.561 2.751 . 0 0 "[ . 1]" 1
213 1 61 SER H 1 61 SER QB 3.500 . 4.500 2.288 2.054 2.773 . 0 0 "[ . 1]" 1
214 1 61 SER H 1 62 PHE H 2.500 . 3.500 2.614 2.475 2.725 . 0 0 "[ . 1]" 1
215 1 62 PHE H 1 62 PHE QB 3.500 . 4.500 2.142 2.055 2.255 . 0 0 "[ . 1]" 1
216 1 62 PHE H 1 63 ILE H 2.500 . 3.500 2.629 2.430 2.737 . 0 0 "[ . 1]" 1
217 1 65 VAL H 1 65 VAL HB 3.500 . 4.500 2.354 2.241 2.545 . 0 0 "[ . 1]" 1
218 1 67 ILE H 1 68 LEU H 2.500 . 3.500 2.623 2.462 2.744 . 0 0 "[ . 1]" 1
219 1 68 LEU H 1 68 LEU HB3 3.500 . 4.500 3.250 2.774 3.598 . 0 0 "[ . 1]" 1
220 1 68 LEU H 1 68 LEU HB2 3.500 . 4.500 2.205 2.065 2.518 . 0 0 "[ . 1]" 1
221 1 68 LEU H 1 69 VAL H 2.500 . 3.500 2.733 2.633 2.821 . 0 0 "[ . 1]" 1
222 1 69 VAL H 1 69 VAL HB 3.500 . 4.500 2.882 2.290 3.601 . 0 0 "[ . 1]" 1
223 1 70 SER H 1 72 VAL H 2.500 . 3.500 3.714 3.695 3.743 0.243 9 0 "[ . 1]" 1
224 1 74 SER H 1 75 LYS H 2.500 . 3.500 2.644 2.515 2.746 . 0 0 "[ . 1]" 1
225 1 72 VAL H 1 74 SER H 2.500 . 3.500 3.640 3.610 3.674 0.174 3 0 "[ . 1]" 1
226 1 93 GLN H 1 94 GLU H 2.500 . 3.500 2.629 2.484 2.735 . 0 0 "[ . 1]" 1
227 1 94 GLU H 1 95 LYS H 2.500 . 3.500 2.513 2.468 2.548 . 0 0 "[ . 1]" 1
228 1 96 TYR H 1 97 LYS H 2.500 . 3.500 2.558 2.431 2.761 . 0 0 "[ . 1]" 1
229 1 95 LYS H 1 96 TYR H 2.500 . 3.500 2.439 2.395 2.516 . 0 0 "[ . 1]" 1
230 1 94 GLU H 1 96 TYR H 2.500 . 3.500 3.588 3.559 3.615 0.115 7 0 "[ . 1]" 1
231 1 97 LYS H 1 98 SER H 2.500 . 3.500 2.602 2.477 2.742 . 0 0 "[ . 1]" 1
232 1 98 SER H 1 99 GLN H 2.500 . 3.500 2.641 2.499 2.804 . 0 0 "[ . 1]" 1
233 1 96 TYR H 1 98 SER H 3.500 . 4.500 4.184 4.013 4.434 . 0 0 "[ . 1]" 1
234 1 98 SER H 1 100 ILE H 3.500 . 4.500 4.352 4.154 4.566 0.066 7 0 "[ . 1]" 1
235 1 99 GLN H 1 100 ILE H 2.500 . 3.500 2.751 2.580 2.801 . 0 0 "[ . 1]" 1
236 1 100 ILE H 1 101 LEU H 2.500 . 3.500 2.590 2.470 2.751 . 0 0 "[ . 1]" 1
237 1 102 ASN H 1 103 LEU H 2.500 . 3.500 2.672 2.520 2.851 . 0 0 "[ . 1]" 1
238 1 103 LEU H 1 104 GLU H 2.500 . 3.500 2.729 2.587 2.870 . 0 0 "[ . 1]" 1
239 1 104 GLU H 1 105 GLU H 2.500 . 3.500 2.699 2.611 2.794 . 0 0 "[ . 1]" 1
240 1 105 GLU H 1 106 SER H 2.500 . 3.500 2.653 2.497 2.731 . 0 0 "[ . 1]" 1
241 1 104 GLU H 1 106 SER H 3.500 . 4.500 4.162 3.917 4.403 . 0 0 "[ . 1]" 1
242 1 109 THR H 1 110 ILE H 2.500 . 3.500 2.691 2.423 2.806 . 0 0 "[ . 1]" 1
243 1 109 THR H 1 111 HIS H 3.500 . 4.500 4.073 3.946 4.294 . 0 0 "[ . 1]" 1
244 1 110 ILE H 1 111 HIS H 2.500 . 3.500 2.647 2.494 2.829 . 0 0 "[ . 1]" 1
245 1 111 HIS H 1 112 GLU H 2.500 . 3.500 2.607 2.481 2.679 . 0 0 "[ . 1]" 1
246 1 113 ASN H 1 114 ILE H 2.500 . 3.500 2.691 2.521 2.839 . 0 0 "[ . 1]" 1
247 1 114 ILE H 1 115 GLY H 2.500 . 3.500 2.527 2.315 2.773 . 0 0 "[ . 1]" 1
248 1 115 GLY H 1 116 ALA H 2.500 . 3.500 2.587 2.442 2.693 . 0 0 "[ . 1]" 1
249 1 116 ALA H 1 117 ALA H 2.500 . 3.500 2.612 2.414 2.781 . 0 0 "[ . 1]" 1
250 1 117 ALA H 1 118 GLY H 2.500 . 3.500 2.870 2.111 3.509 0.009 10 0 "[ . 1]" 1
251 1 118 GLY H 1 119 PHE H 2.500 . 3.500 2.895 1.792 3.504 0.008 5 0 "[ . 1]" 1
252 1 119 PHE H 1 120 LYS H 2.500 . 3.500 3.489 3.398 3.525 0.025 2 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 60
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 22.902
_Distance_constraint_stats_list.Viol_max 0.717
_Distance_constraint_stats_list.Viol_rms 0.0401
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0818
_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 3 THR 0.000 0.000 . 0 "[ . 1]"
1 7 PHE 0.000 0.000 . 0 "[ . 1]"
1 8 THR 0.031 0.031 2 0 "[ . 1]"
1 10 THR 0.071 0.045 5 0 "[ . 1]"
1 11 LEU 0.000 0.000 . 0 "[ . 1]"
1 12 GLU 0.031 0.031 2 0 "[ . 1]"
1 14 VAL 0.071 0.045 5 0 "[ . 1]"
1 15 PHE 0.000 0.000 . 0 "[ . 1]"
1 16 ARG 0.000 0.000 . 0 "[ . 1]"
1 18 ILE 0.000 0.000 . 0 "[ . 1]"
1 19 PHE 0.000 0.000 . 0 "[ . 1]"
1 20 ILE 0.000 0.000 . 0 "[ . 1]"
1 22 TYR 0.000 0.000 . 0 "[ . 1]"
1 23 MET 0.000 0.000 . 0 "[ . 1]"
1 24 ASP 0.000 0.000 . 0 "[ . 1]"
1 47 TYR 0.012 0.012 2 0 "[ . 1]"
1 48 TYR 0.000 0.000 . 0 "[ . 1]"
1 49 VAL 0.003 0.003 1 0 "[ . 1]"
1 50 ILE 0.059 0.033 5 0 "[ . 1]"
1 51 LEU 1.845 0.717 6 1 "[ .+ 1]"
1 52 TYR 0.010 0.010 10 0 "[ . 1]"
1 53 LEU 0.003 0.003 1 0 "[ . 1]"
1 54 MET 0.067 0.033 5 0 "[ . 1]"
1 55 VAL 1.833 0.717 6 1 "[ .+ 1]"
1 56 MET 0.010 0.010 10 0 "[ . 1]"
1 57 ILE 0.047 0.047 6 0 "[ . 1]"
1 58 GLY 0.051 0.027 6 0 "[ . 1]"
1 59 MET 0.034 0.022 10 0 "[ . 1]"
1 60 PHE 0.000 0.000 . 0 "[ . 1]"
1 61 SER 0.056 0.047 6 0 "[ . 1]"
1 62 PHE 0.083 0.040 5 0 "[ . 1]"
1 63 ILE 0.035 0.022 10 0 "[ . 1]"
1 64 ILE 0.007 0.007 10 0 "[ . 1]"
1 65 VAL 0.009 0.009 2 0 "[ . 1]"
1 66 ALA 0.123 0.066 3 0 "[ . 1]"
1 67 ILE 0.001 0.001 2 0 "[ . 1]"
1 68 LEU 0.007 0.007 10 0 "[ . 1]"
1 69 VAL 0.000 0.000 . 0 "[ . 1]"
1 70 SER 0.082 0.066 3 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 3 THR O 1 7 PHE N 3.000 2.200 3.500 2.990 2.709 3.168 . 0 0 "[ . 1]" 2
2 1 3 THR O 1 7 PHE H 2.000 . 2.500 2.111 1.797 2.356 . 0 0 "[ . 1]" 2
3 1 8 THR O 1 12 GLU N 3.000 2.200 3.500 3.157 2.774 3.398 . 0 0 "[ . 1]" 2
4 1 8 THR O 1 12 GLU H 2.000 . 2.500 2.245 1.824 2.531 0.031 2 0 "[ . 1]" 2
5 1 10 THR O 1 14 VAL N 3.000 2.200 3.500 3.204 2.935 3.401 . 0 0 "[ . 1]" 2
6 1 10 THR O 1 14 VAL H 2.000 . 2.500 2.326 2.042 2.545 0.045 5 0 "[ . 1]" 2
7 1 11 LEU O 1 15 PHE N 3.000 2.200 3.500 2.801 2.527 3.389 . 0 0 "[ . 1]" 2
8 1 11 LEU O 1 15 PHE H 2.000 . 2.500 1.842 1.549 2.443 . 0 0 "[ . 1]" 2
9 1 12 GLU O 1 16 ARG N 3.000 2.200 3.500 2.600 2.419 2.914 . 0 0 "[ . 1]" 2
10 1 12 GLU O 1 16 ARG H 2.000 . 2.500 1.767 1.572 2.121 . 0 0 "[ . 1]" 2
11 1 15 PHE O 1 19 PHE N 3.000 2.200 3.500 2.943 2.543 3.236 . 0 0 "[ . 1]" 2
12 1 15 PHE O 1 19 PHE H 2.000 . 2.500 2.125 1.723 2.444 . 0 0 "[ . 1]" 2
13 1 16 ARG O 1 20 ILE N 3.000 2.200 3.500 3.199 2.839 3.475 . 0 0 "[ . 1]" 2
14 1 16 ARG O 1 20 ILE H 2.000 . 2.500 2.229 1.862 2.500 . 0 0 "[ . 1]" 2
15 1 18 ILE O 1 22 TYR N 3.000 2.200 3.500 2.308 2.277 2.413 . 0 0 "[ . 1]" 2
16 1 18 ILE O 1 22 TYR H 2.000 . 2.500 1.560 1.513 1.661 . 0 0 "[ . 1]" 2
17 1 19 PHE O 1 23 MET N 3.000 2.200 3.500 2.696 2.447 2.882 . 0 0 "[ . 1]" 2
18 1 19 PHE O 1 23 MET H 2.000 . 2.500 1.734 1.531 1.902 . 0 0 "[ . 1]" 2
19 1 20 ILE O 1 24 ASP N 3.000 2.200 3.500 3.009 2.816 3.143 . 0 0 "[ . 1]" 2
20 1 20 ILE O 1 24 ASP H 2.000 . 2.500 2.309 2.102 2.450 . 0 0 "[ . 1]" 2
21 1 47 TYR O 1 51 LEU N 3.000 2.200 3.500 3.166 2.684 3.385 . 0 0 "[ . 1]" 2
22 1 47 TYR O 1 51 LEU H 2.000 . 2.500 2.280 1.718 2.512 0.012 2 0 "[ . 1]" 2
23 1 48 TYR O 1 52 TYR N 3.000 2.200 3.500 3.162 2.833 3.307 . 0 0 "[ . 1]" 2
24 1 48 TYR O 1 52 TYR H 2.000 . 2.500 2.255 1.942 2.447 . 0 0 "[ . 1]" 2
25 1 49 VAL O 1 53 LEU N 3.000 2.200 3.500 2.938 2.541 3.372 . 0 0 "[ . 1]" 2
26 1 49 VAL O 1 53 LEU H 2.000 . 2.500 2.003 1.572 2.503 0.003 1 0 "[ . 1]" 2
27 1 50 ILE O 1 54 MET N 3.000 2.200 3.500 3.066 2.596 3.437 . 0 0 "[ . 1]" 2
28 1 50 ILE O 1 54 MET H 2.000 . 2.500 2.184 1.658 2.533 0.033 5 0 "[ . 1]" 2
29 1 51 LEU O 1 55 VAL N 3.000 2.200 3.500 3.427 3.148 4.105 0.605 6 1 "[ .+ 1]" 2
30 1 51 LEU O 1 55 VAL H 2.000 . 2.500 2.536 2.213 3.217 0.717 6 1 "[ .+ 1]" 2
31 1 52 TYR O 1 56 MET N 3.000 2.200 3.500 3.108 2.958 3.402 . 0 0 "[ . 1]" 2
32 1 52 TYR O 1 56 MET H 2.000 . 2.500 2.260 1.995 2.510 0.010 10 0 "[ . 1]" 2
33 1 53 LEU O 1 57 ILE N 3.000 2.200 3.500 3.108 2.617 3.397 . 0 0 "[ . 1]" 2
34 1 53 LEU O 1 57 ILE H 2.000 . 2.500 2.206 1.699 2.438 . 0 0 "[ . 1]" 2
35 1 54 MET O 1 58 GLY N 3.000 2.200 3.500 3.103 2.806 3.440 . 0 0 "[ . 1]" 2
36 1 54 MET O 1 58 GLY H 2.000 . 2.500 2.275 2.063 2.509 0.009 5 0 "[ . 1]" 2
37 1 55 VAL O 1 59 MET N 3.000 2.200 3.500 2.887 2.547 3.386 . 0 0 "[ . 1]" 2
38 1 55 VAL O 1 59 MET H 2.000 . 2.500 1.993 1.621 2.484 . 0 0 "[ . 1]" 2
39 1 56 MET O 1 60 PHE N 3.000 2.200 3.500 3.084 2.613 3.331 . 0 0 "[ . 1]" 2
40 1 56 MET O 1 60 PHE H 2.000 . 2.500 2.149 1.653 2.424 . 0 0 "[ . 1]" 2
41 1 57 ILE O 1 61 SER N 3.000 2.200 3.500 2.994 2.708 3.395 . 0 0 "[ . 1]" 2
42 1 57 ILE O 1 61 SER H 2.000 . 2.500 2.082 1.776 2.547 0.047 6 0 "[ . 1]" 2
43 1 58 GLY O 1 62 PHE N 3.000 2.200 3.500 3.136 2.856 3.355 . 0 0 "[ . 1]" 2
44 1 58 GLY O 1 62 PHE H 2.000 . 2.500 2.290 1.921 2.527 0.027 6 0 "[ . 1]" 2
45 1 59 MET O 1 63 ILE N 3.000 2.200 3.500 3.176 2.899 3.429 . 0 0 "[ . 1]" 2
46 1 59 MET O 1 63 ILE H 2.000 . 2.500 2.281 2.000 2.522 0.022 10 0 "[ . 1]" 2
47 1 60 PHE O 1 64 ILE N 3.000 2.200 3.500 3.233 2.919 3.431 . 0 0 "[ . 1]" 2
48 1 60 PHE O 1 64 ILE H 2.000 . 2.500 2.294 2.015 2.468 . 0 0 "[ . 1]" 2
49 1 61 SER O 1 65 VAL N 3.000 2.200 3.500 3.110 2.864 3.307 . 0 0 "[ . 1]" 2
50 1 61 SER O 1 65 VAL H 2.000 . 2.500 2.204 1.886 2.509 0.009 2 0 "[ . 1]" 2
51 1 62 PHE O 1 66 ALA N 3.000 2.200 3.500 2.921 2.710 3.284 . 0 0 "[ . 1]" 2
52 1 62 PHE O 1 66 ALA H 2.000 . 2.500 2.055 1.763 2.540 0.040 5 0 "[ . 1]" 2
53 1 63 ILE O 1 67 ILE N 3.000 2.200 3.500 3.228 3.027 3.407 . 0 0 "[ . 1]" 2
54 1 63 ILE O 1 67 ILE H 2.000 . 2.500 2.303 2.073 2.501 0.001 2 0 "[ . 1]" 2
55 1 64 ILE O 1 68 LEU N 3.000 2.200 3.500 3.210 2.982 3.439 . 0 0 "[ . 1]" 2
56 1 64 ILE O 1 68 LEU H 2.000 . 2.500 2.301 2.013 2.507 0.007 10 0 "[ . 1]" 2
57 1 65 VAL O 1 69 VAL N 3.000 2.200 3.500 3.021 2.824 3.189 . 0 0 "[ . 1]" 2
58 1 65 VAL O 1 69 VAL H 2.000 . 2.500 2.085 1.900 2.297 . 0 0 "[ . 1]" 2
59 1 66 ALA O 1 70 SER N 3.000 2.200 3.500 3.233 2.934 3.474 . 0 0 "[ . 1]" 2
60 1 66 ALA O 1 70 SER H 2.000 . 2.500 2.342 2.034 2.566 0.066 3 0 "[ . 1]" 2
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