NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569797 |
2ltr   |
17703 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ltr
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 247
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 57.486
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0140
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0575
_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 3 THR 0.000 0.000 . 0 "[ . 1]"
1 4 ASP 0.000 0.000 . 0 "[ . 1]"
1 5 LEU 0.000 0.000 . 0 "[ . 1]"
1 6 GLU 0.000 0.000 . 0 "[ . 1]"
1 7 MET 0.000 0.000 . 0 "[ . 1]"
1 8 PHE 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 0.000 0.000 . 0 "[ . 1]"
1 10 LYS 0.000 0.000 . 0 "[ . 1]"
1 11 LYS 0.000 0.000 . 0 "[ . 1]"
1 12 THR 0.000 0.000 . 0 "[ . 1]"
1 14 LEU 0.000 0.000 . 0 "[ . 1]"
1 15 MET 0.000 0.000 . 0 "[ . 1]"
1 16 VAL 0.000 0.000 . 0 "[ . 1]"
1 17 LEU 0.000 0.000 . 0 "[ . 1]"
1 18 GLU 0.000 0.000 . 0 "[ . 1]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 ALA 0.000 0.000 . 0 "[ . 1]"
1 22 LYS 0.000 0.000 . 0 "[ . 1]"
1 23 ALA 0.009 0.009 3 0 "[ . 1]"
1 24 VAL 0.000 0.000 . 0 "[ . 1]"
1 25 TYR 0.000 0.000 . 0 "[ . 1]"
1 26 GLN 0.000 0.000 . 0 "[ . 1]"
1 27 LYS 0.009 0.009 3 0 "[ . 1]"
1 30 THR 0.016 0.016 3 0 "[ . 1]"
1 31 TRP 0.000 0.000 . 0 "[ . 1]"
1 32 GLY 0.000 0.000 . 0 "[ . 1]"
1 34 VAL 0.000 0.000 . 0 "[ . 1]"
1 35 GLU 0.000 0.000 . 0 "[ . 1]"
1 36 LEU 1.659 0.161 4 0 "[ . 1]"
1 38 GLU 0.000 0.000 . 0 "[ . 1]"
1 39 GLY 1.304 0.161 4 0 "[ . 1]"
1 40 PHE 0.292 0.054 10 0 "[ . 1]"
1 41 GLU 0.000 0.000 . 0 "[ . 1]"
1 42 MET 0.073 0.029 9 0 "[ . 1]"
1 43 THR 0.000 0.000 . 0 "[ . 1]"
1 44 LEU 0.432 0.073 10 0 "[ . 1]"
1 45 ILE 0.016 0.016 3 0 "[ . 1]"
1 46 LEU 0.000 0.000 . 0 "[ . 1]"
1 49 ILE 0.000 0.000 . 0 "[ . 1]"
1 50 THR 0.000 0.000 . 0 "[ . 1]"
1 51 VAL 0.432 0.073 10 0 "[ . 1]"
1 52 LYS 0.000 0.000 . 0 "[ . 1]"
1 53 GLY 0.073 0.029 9 0 "[ . 1]"
1 55 ALA 0.292 0.054 10 0 "[ . 1]"
1 57 SER 0.000 0.000 . 0 "[ . 1]"
1 58 LYS 0.000 0.000 . 0 "[ . 1]"
1 59 LYS 0.000 0.000 . 0 "[ . 1]"
1 60 ALA 0.000 0.000 . 0 "[ . 1]"
1 61 ALA 0.000 0.000 . 0 "[ . 1]"
1 62 ARG 0.000 0.000 . 0 "[ . 1]"
1 63 GLN 0.000 0.000 . 0 "[ . 1]"
1 64 LYS 0.000 0.000 . 0 "[ . 1]"
1 65 ALA 0.000 0.000 . 0 "[ . 1]"
1 66 ALA 0.000 0.000 . 0 "[ . 1]"
1 67 VAL 0.000 0.000 . 0 "[ . 1]"
1 68 GLU 0.000 0.000 . 0 "[ . 1]"
1 69 TYR 0.000 0.000 . 0 "[ . 1]"
1 70 LEU 0.000 0.000 . 0 "[ . 1]"
1 71 ARG 0.000 0.000 . 0 "[ . 1]"
1 72 LYS 0.000 0.000 . 0 "[ . 1]"
1 73 VAL 0.925 0.108 4 0 "[ . 1]"
1 74 VAL 0.627 0.100 1 0 "[ . 1]"
1 75 GLU 0.000 0.000 . 0 "[ . 1]"
1 76 LYS 0.000 0.000 . 0 "[ . 1]"
1 77 GLY 0.000 0.000 . 0 "[ . 1]"
1 78 LYS 0.000 0.000 . 0 "[ . 1]"
1 79 HIS 0.000 0.000 . 0 "[ . 1]"
1 81 ILE 0.000 0.000 . 0 "[ . 1]"
1 82 PHE 0.459 0.060 10 0 "[ . 1]"
1 83 PHE 0.459 0.060 10 0 "[ . 1]"
1 84 ILE 0.000 0.000 . 0 "[ . 1]"
1 87 THR 0.000 0.000 . 0 "[ . 1]"
1 88 THR 0.000 0.000 . 0 "[ . 1]"
1 89 LYS 0.002 0.002 6 0 "[ . 1]"
1 90 GLU 0.002 0.002 6 0 "[ . 1]"
1 91 GLU 0.000 0.000 . 0 "[ . 1]"
1 92 ALA 0.000 0.000 . 0 "[ . 1]"
1 93 LEU 0.949 0.135 5 0 "[ . 1]"
1 94 SER 0.000 0.000 . 0 "[ . 1]"
1 95 ASN 0.000 0.000 . 0 "[ . 1]"
1 96 ILE 0.029 0.029 5 0 "[ . 1]"
1 97 ASP 0.000 0.000 . 0 "[ . 1]"
1 98 GLN 0.200 0.030 10 0 "[ . 1]"
1 99 ILE 0.034 0.014 10 0 "[ . 1]"
1 100 SER 0.200 0.030 10 0 "[ . 1]"
1 101 ASP 0.000 0.000 . 0 "[ . 1]"
1 102 LYS 0.045 0.014 10 0 "[ . 1]"
1 103 ALA 0.042 0.025 9 0 "[ . 1]"
1 104 GLU 0.032 0.025 9 0 "[ . 1]"
1 105 GLU 0.001 0.001 5 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 H 1 4 ASP H 5.000 . 5.500 3.917 2.746 4.637 . 0 0 "[ . 1]" 1
2 1 4 ASP H 1 5 LEU H 4.000 . 4.500 2.519 2.088 2.722 . 0 0 "[ . 1]" 1
3 1 5 LEU H 1 6 GLU H 2.500 . 3.000 2.631 2.457 2.763 . 0 0 "[ . 1]" 1
4 1 5 LEU H 1 7 MET H 5.000 2.800 5.500 4.138 3.812 4.301 . 0 0 "[ . 1]" 1
5 1 6 GLU H 1 7 MET H 4.000 . 4.500 2.673 2.541 2.814 . 0 0 "[ . 1]" 1
6 1 7 MET H 1 8 PHE H 4.000 . 4.500 2.683 2.539 2.749 . 0 0 "[ . 1]" 1
7 1 7 MET H 1 9 LEU H 5.000 . 5.500 4.217 3.925 4.397 . 0 0 "[ . 1]" 1
8 1 8 PHE H 1 9 LEU H 4.000 . 4.500 2.637 2.474 2.760 . 0 0 "[ . 1]" 1
9 1 9 LEU H 1 10 LYS H 4.000 . 4.500 2.578 2.481 2.710 . 0 0 "[ . 1]" 1
10 1 9 LEU H 1 11 LYS H 5.000 . 5.500 3.993 3.515 4.491 . 0 0 "[ . 1]" 1
11 1 10 LYS H 1 11 LYS H 2.500 . 3.000 2.563 2.282 2.866 . 0 0 "[ . 1]" 1
12 1 12 THR H 1 15 MET H 5.500 . 6.000 4.580 4.072 5.864 . 0 0 "[ . 1]" 1
13 1 14 LEU H 1 15 MET H 2.500 . 3.000 2.519 2.404 2.671 . 0 0 "[ . 1]" 1
14 1 14 LEU H 1 16 VAL H 4.500 . 5.000 4.295 4.176 4.426 . 0 0 "[ . 1]" 1
15 1 14 LEU MD1 1 15 MET H 6.000 . 6.500 4.725 4.547 4.946 . 0 0 "[ . 1]" 1
16 1 14 LEU MD2 1 15 MET H 5.000 . 6.000 4.684 4.178 4.861 . 0 0 "[ . 1]" 1
17 1 15 MET H 1 16 VAL MG2 5.000 . 6.000 4.735 4.546 4.852 . 0 0 "[ . 1]" 1
18 1 15 MET H 1 16 VAL H 2.500 . 3.000 2.623 2.534 2.688 . 0 0 "[ . 1]" 1
19 1 15 MET H 1 17 LEU H 5.500 . 6.000 4.279 4.050 4.597 . 0 0 "[ . 1]" 1
20 1 16 VAL H 1 16 VAL MG2 4.000 . 4.500 2.778 2.620 2.878 . 0 0 "[ . 1]" 1
21 1 16 VAL H 1 17 LEU H 2.500 . 3.000 2.629 2.497 2.794 . 0 0 "[ . 1]" 1
22 1 16 VAL H 1 18 GLU H 5.500 . 6.000 4.267 4.170 4.420 . 0 0 "[ . 1]" 1
23 1 14 LEU MD1 1 17 LEU H 5.000 . 6.000 4.086 3.746 4.654 . 0 0 "[ . 1]" 1
24 1 16 VAL MG1 1 17 LEU H 6.000 . 6.500 2.740 2.368 3.254 . 0 0 "[ . 1]" 1
25 1 16 VAL MG2 1 17 LEU H 5.000 . 6.000 4.058 3.955 4.193 . 0 0 "[ . 1]" 1
26 1 17 LEU H 1 18 GLU H 2.500 . 3.000 2.789 2.551 2.928 . 0 0 "[ . 1]" 1
27 1 17 LEU H 1 19 GLU H 5.500 . 6.000 4.181 3.719 4.488 . 0 0 "[ . 1]" 1
28 1 14 LEU MD1 1 18 GLU H 5.000 . 6.000 3.952 3.667 4.512 . 0 0 "[ . 1]" 1
29 1 17 LEU MD2 1 18 GLU H 6.000 . 6.500 4.059 3.726 4.403 . 0 0 "[ . 1]" 1
30 1 18 GLU H 1 19 GLU H 2.500 . 3.000 2.809 2.676 2.921 . 0 0 "[ . 1]" 1
31 1 18 GLU H 1 20 ALA H 5.500 . 6.000 4.149 4.060 4.321 . 0 0 "[ . 1]" 1
32 1 19 GLU H 1 20 ALA H 2.500 . 3.000 2.583 2.474 2.709 . 0 0 "[ . 1]" 1
33 1 16 VAL MG1 1 20 ALA H 6.000 . 6.500 3.938 3.794 4.146 . 0 0 "[ . 1]" 1
34 1 20 ALA H 1 21 ALA H 2.500 . 3.000 2.644 2.588 2.742 . 0 0 "[ . 1]" 1
35 1 17 LEU MD1 1 21 ALA H 5.000 . 6.000 4.613 4.210 4.914 . 0 0 "[ . 1]" 1
36 1 21 ALA H 1 46 LEU MD2 5.000 . 6.000 3.565 3.171 3.857 . 0 0 "[ . 1]" 1
37 1 21 ALA H 1 46 LEU MD1 5.000 . 6.000 4.522 4.133 4.920 . 0 0 "[ . 1]" 1
38 1 21 ALA H 1 22 LYS H 2.500 . 3.000 2.621 2.546 2.691 . 0 0 "[ . 1]" 1
39 1 21 ALA H 1 23 ALA H 5.000 . 5.500 4.440 4.314 4.665 . 0 0 "[ . 1]" 1
40 1 22 LYS H 1 23 ALA H 2.500 . 3.000 2.660 2.590 2.749 . 0 0 "[ . 1]" 1
41 1 22 LYS H 1 24 VAL H 5.500 . 6.000 3.864 3.829 3.899 . 0 0 "[ . 1]" 1
42 1 23 ALA H 1 24 VAL MG2 5.000 . 6.000 3.926 3.873 4.022 . 0 0 "[ . 1]" 1
43 1 23 ALA H 1 24 VAL MG1 4.000 . 5.500 3.902 3.840 4.064 . 0 0 "[ . 1]" 1
44 1 23 ALA H 1 24 VAL H 3.500 . 4.000 2.638 2.568 2.814 . 0 0 "[ . 1]" 1
45 1 23 ALA H 1 25 TYR H 4.500 . 5.000 4.723 4.673 4.815 . 0 0 "[ . 1]" 1
46 1 23 ALA H 1 27 LYS H 5.500 . 6.000 5.856 5.631 6.009 0.009 3 0 "[ . 1]" 1
47 1 24 VAL H 1 24 VAL MG1 4.000 . 4.500 2.317 2.296 2.351 . 0 0 "[ . 1]" 1
48 1 24 VAL H 1 25 TYR H 3.500 . 4.000 2.601 2.558 2.628 . 0 0 "[ . 1]" 1
49 1 24 VAL H 1 26 GLN H 3.500 . 4.000 3.336 3.294 3.365 . 0 0 "[ . 1]" 1
50 1 24 VAL MG1 1 25 TYR H 5.000 . 6.000 3.786 3.775 3.801 . 0 0 "[ . 1]" 1
51 1 25 TYR H 1 26 GLN H 2.500 . 3.000 1.993 1.926 2.070 . 0 0 "[ . 1]" 1
52 1 25 TYR H 1 27 LYS H 4.500 . 5.000 3.285 3.168 3.505 . 0 0 "[ . 1]" 1
53 1 24 VAL MG2 1 26 GLN H 5.000 . 6.000 3.176 3.107 3.240 . 0 0 "[ . 1]" 1
54 1 24 VAL MG1 1 26 GLN H 6.000 . 6.500 4.997 4.988 5.006 . 0 0 "[ . 1]" 1
55 1 26 GLN H 1 27 LYS H 2.500 . 3.000 2.531 2.418 2.705 . 0 0 "[ . 1]" 1
56 1 30 THR H 1 44 LEU MD1 4.000 . 4.500 2.974 2.791 3.279 . 0 0 "[ . 1]" 1
57 1 30 THR H 1 44 LEU MD2 6.000 . 6.500 5.424 5.394 5.463 . 0 0 "[ . 1]" 1
58 1 30 THR H 1 45 ILE MD 6.000 . 6.500 4.868 4.427 5.350 . 0 0 "[ . 1]" 1
59 1 30 THR H 1 45 ILE H 2.500 . 3.000 2.847 2.618 3.016 0.016 3 0 "[ . 1]" 1
60 1 30 THR H 1 46 LEU MD2 5.000 . 6.000 4.920 3.653 5.572 . 0 0 "[ . 1]" 1
61 1 32 GLY H 1 43 THR H 2.500 . 3.000 2.605 2.428 2.851 . 0 0 "[ . 1]" 1
62 1 34 VAL H 1 34 VAL MG1 4.000 . 4.500 3.756 3.392 3.859 . 0 0 "[ . 1]" 1
63 1 34 VAL H 1 34 VAL MG2 3.000 . 3.500 2.350 2.021 3.128 . 0 0 "[ . 1]" 1
64 1 34 VAL H 1 41 GLU H 2.500 . 3.000 2.852 2.760 2.917 . 0 0 "[ . 1]" 1
65 1 34 VAL MG1 1 35 GLU H 3.000 . 3.500 2.004 1.920 2.312 . 0 0 "[ . 1]" 1
66 1 35 GLU H 1 36 LEU MD2 6.000 . 6.500 3.986 2.676 4.583 . 0 0 "[ . 1]" 1
67 1 34 VAL MG1 1 36 LEU H 5.000 . 6.000 4.061 3.535 4.406 . 0 0 "[ . 1]" 1
68 1 36 LEU H 1 36 LEU MD1 4.000 . 4.500 2.555 1.726 3.828 0.074 6 0 "[ . 1]" 1
69 1 36 LEU H 1 36 LEU MD2 4.000 . 4.500 3.606 2.474 3.954 . 0 0 "[ . 1]" 1
70 1 36 LEU H 1 38 GLU H 4.500 . 5.000 4.138 4.021 4.309 . 0 0 "[ . 1]" 1
71 1 36 LEU H 1 39 GLY H 2.500 . 3.000 3.130 3.100 3.161 0.161 4 0 "[ . 1]" 1
72 1 36 LEU H 1 41 GLU H 5.500 . 6.000 4.616 4.375 5.018 . 0 0 "[ . 1]" 1
73 1 36 LEU MD1 1 38 GLU H 5.000 . 6.000 3.718 3.399 4.155 . 0 0 "[ . 1]" 1
74 1 38 GLU H 1 39 GLY H 2.500 . 3.000 2.287 2.157 2.439 . 0 0 "[ . 1]" 1
75 1 36 LEU MD1 1 39 GLY H 6.000 . 6.500 3.310 2.640 4.313 . 0 0 "[ . 1]" 1
76 1 40 PHE H 1 55 ALA H 2.500 . 3.000 3.029 3.013 3.054 0.054 10 0 "[ . 1]" 1
77 1 34 VAL MG1 1 41 GLU H 4.000 . 4.500 3.486 1.911 3.896 . 0 0 "[ . 1]" 1
78 1 34 VAL MG2 1 41 GLU H 4.000 . 4.500 3.487 3.197 3.838 . 0 0 "[ . 1]" 1
79 1 36 LEU MD1 1 41 GLU H 4.000 . 4.500 2.756 2.148 3.594 . 0 0 "[ . 1]" 1
80 1 36 LEU MD2 1 41 GLU H 5.000 . 6.000 3.619 2.756 4.775 . 0 0 "[ . 1]" 1
81 1 42 MET H 1 53 GLY H 2.500 . 3.000 2.928 2.723 3.029 0.029 9 0 "[ . 1]" 1
82 1 44 LEU H 1 51 VAL MG1 5.000 . 6.000 5.017 4.944 5.109 . 0 0 "[ . 1]" 1
83 1 44 LEU H 1 51 VAL MG2 4.000 . 4.500 3.130 2.907 3.348 . 0 0 "[ . 1]" 1
84 1 44 LEU H 1 51 VAL H 2.500 . 3.000 3.042 2.988 3.073 0.073 10 0 "[ . 1]" 1
85 1 44 LEU MD1 1 45 ILE H 3.000 . 3.500 2.073 1.809 2.394 . 0 0 "[ . 1]" 1
86 1 44 LEU MD2 1 45 ILE H 5.000 . 6.000 4.536 4.402 4.672 . 0 0 "[ . 1]" 1
87 1 45 ILE H 1 45 ILE MD 4.000 . 4.500 3.485 2.764 3.834 . 0 0 "[ . 1]" 1
88 1 45 ILE MD 1 46 LEU H 6.000 . 6.500 4.903 3.674 5.147 . 0 0 "[ . 1]" 1
89 1 46 LEU H 1 46 LEU MD2 5.000 . 6.000 4.712 4.338 4.942 . 0 0 "[ . 1]" 1
90 1 46 LEU H 1 49 ILE MD 6.000 . 6.500 5.366 5.340 5.401 . 0 0 "[ . 1]" 1
91 1 46 LEU H 1 49 ILE H 3.500 . 4.000 3.343 3.011 3.507 . 0 0 "[ . 1]" 1
92 1 49 ILE H 1 49 ILE MD 4.000 . 4.500 3.574 3.415 3.791 . 0 0 "[ . 1]" 1
93 1 50 THR H 1 51 VAL MG1 4.000 . 4.500 3.423 3.312 3.592 . 0 0 "[ . 1]" 1
94 1 50 THR H 1 51 VAL MG2 6.000 . 6.500 5.246 5.118 5.304 . 0 0 "[ . 1]" 1
95 1 44 LEU MD1 1 51 VAL H 6.000 . 6.500 4.421 3.909 4.705 . 0 0 "[ . 1]" 1
96 1 44 LEU MD2 1 51 VAL H 5.000 . 6.000 4.289 4.167 4.441 . 0 0 "[ . 1]" 1
97 1 51 VAL H 1 51 VAL MG1 4.000 . 4.500 2.806 2.723 2.890 . 0 0 "[ . 1]" 1
98 1 51 VAL H 1 51 VAL MG2 3.000 . 3.500 2.277 2.139 2.351 . 0 0 "[ . 1]" 1
99 1 51 VAL MG1 1 52 LYS H 4.000 . 4.500 3.835 3.806 3.866 . 0 0 "[ . 1]" 1
100 1 51 VAL MG2 1 52 LYS H 4.000 . 4.500 3.278 3.043 3.518 . 0 0 "[ . 1]" 1
101 1 57 SER H 1 58 LYS H 4.500 . 5.000 4.457 4.432 4.499 . 0 0 "[ . 1]" 1
102 1 58 LYS H 1 59 LYS H 2.500 . 3.000 2.584 2.525 2.678 . 0 0 "[ . 1]" 1
103 1 58 LYS H 1 60 ALA H 4.500 . 5.000 4.188 3.913 4.345 . 0 0 "[ . 1]" 1
104 1 59 LYS H 1 60 ALA H 2.500 . 3.000 2.792 2.730 2.841 . 0 0 "[ . 1]" 1
105 1 59 LYS H 1 61 ALA H 3.500 . 4.000 3.866 3.779 3.959 . 0 0 "[ . 1]" 1
106 1 60 ALA H 1 61 ALA H 2.500 . 3.000 2.495 2.466 2.523 . 0 0 "[ . 1]" 1
107 1 61 ALA H 1 62 ARG H 3.500 . 4.000 2.737 2.593 2.856 . 0 0 "[ . 1]" 1
108 1 62 ARG H 1 63 GLN H 2.500 . 3.000 2.567 2.514 2.595 . 0 0 "[ . 1]" 1
109 1 63 GLN H 1 64 LYS H 2.500 . 3.000 2.855 2.747 2.927 . 0 0 "[ . 1]" 1
110 1 63 GLN H 1 65 ALA H 4.500 . 5.000 4.142 4.045 4.254 . 0 0 "[ . 1]" 1
111 1 64 LYS H 1 65 ALA H 2.500 . 3.000 2.630 2.540 2.728 . 0 0 "[ . 1]" 1
112 1 64 LYS H 1 66 ALA H 4.500 . 5.000 4.408 4.306 4.499 . 0 0 "[ . 1]" 1
113 1 44 LEU MD2 1 65 ALA H 6.000 . 6.500 5.155 4.912 5.306 . 0 0 "[ . 1]" 1
114 1 65 ALA H 1 66 ALA H 2.500 . 3.000 2.684 2.640 2.746 . 0 0 "[ . 1]" 1
115 1 44 LEU MD2 1 66 ALA H 6.000 . 6.500 3.517 3.326 3.650 . 0 0 "[ . 1]" 1
116 1 66 ALA H 1 67 VAL MG2 5.000 . 6.000 4.315 4.225 4.455 . 0 0 "[ . 1]" 1
117 1 67 VAL H 1 67 VAL MG1 4.000 . 4.500 3.718 3.699 3.732 . 0 0 "[ . 1]" 1
118 1 67 VAL H 1 67 VAL MG2 3.000 . 3.500 2.321 2.176 2.392 . 0 0 "[ . 1]" 1
119 1 67 VAL H 1 68 GLU H 2.500 . 3.000 2.724 2.646 2.796 . 0 0 "[ . 1]" 1
120 1 44 LEU MD2 1 68 GLU H 5.000 . 6.000 4.846 4.731 4.964 . 0 0 "[ . 1]" 1
121 1 51 VAL MG2 1 68 GLU H 4.000 . 4.500 3.689 3.653 3.737 . 0 0 "[ . 1]" 1
122 1 67 VAL MG1 1 68 GLU H 4.000 . 4.500 3.091 2.927 3.291 . 0 0 "[ . 1]" 1
123 1 67 VAL MG2 1 68 GLU H 4.000 . 4.500 3.913 3.891 3.963 . 0 0 "[ . 1]" 1
124 1 68 GLU H 1 69 TYR H 2.500 . 3.000 2.722 2.680 2.751 . 0 0 "[ . 1]" 1
125 1 68 GLU H 1 70 LEU H 4.500 . 5.000 4.608 4.531 4.652 . 0 0 "[ . 1]" 1
126 1 44 LEU MD2 1 69 TYR H 5.000 . 6.000 3.369 3.255 3.640 . 0 0 "[ . 1]" 1
127 1 51 VAL MG1 1 69 TYR H 5.000 . 6.000 3.175 3.014 3.344 . 0 0 "[ . 1]" 1
128 1 51 VAL MG2 1 69 TYR H 4.000 . 4.500 2.382 2.229 2.544 . 0 0 "[ . 1]" 1
129 1 69 TYR H 1 70 LEU H 3.500 . 4.000 2.820 2.774 2.862 . 0 0 "[ . 1]" 1
130 1 69 TYR H 1 71 ARG H 4.500 . 5.000 4.048 3.966 4.131 . 0 0 "[ . 1]" 1
131 1 70 LEU H 1 70 LEU MD2 4.000 . 4.500 3.703 3.606 3.838 . 0 0 "[ . 1]" 1
132 1 70 LEU H 1 71 ARG H 3.500 . 4.000 2.857 2.795 2.889 . 0 0 "[ . 1]" 1
133 1 71 ARG H 1 72 LYS H 2.500 . 3.000 2.780 2.753 2.805 . 0 0 "[ . 1]" 1
134 1 72 LYS H 1 73 VAL MG2 4.000 . 4.500 3.532 3.496 3.569 . 0 0 "[ . 1]" 1
135 1 72 LYS H 1 73 VAL H 3.500 . 4.000 2.642 2.612 2.664 . 0 0 "[ . 1]" 1
136 1 72 LYS H 1 74 VAL MG2 5.000 . 6.000 4.570 4.480 4.644 . 0 0 "[ . 1]" 1
137 1 49 ILE MD 1 73 VAL H 5.000 . 6.000 3.505 3.298 3.692 . 0 0 "[ . 1]" 1
138 1 73 VAL H 1 73 VAL MG1 4.000 . 4.500 3.716 3.705 3.727 . 0 0 "[ . 1]" 1
139 1 73 VAL H 1 73 VAL MG2 4.000 . 4.500 1.708 1.692 1.726 0.108 4 0 "[ . 1]" 1
140 1 73 VAL H 1 74 VAL MG2 4.000 . 4.500 3.585 3.548 3.619 . 0 0 "[ . 1]" 1
141 1 73 VAL H 1 74 VAL H 3.500 . 4.000 2.740 2.698 2.778 . 0 0 "[ . 1]" 1
142 1 73 VAL MG1 1 74 VAL H 5.000 . 6.000 3.594 3.546 3.635 . 0 0 "[ . 1]" 1
143 1 73 VAL MG2 1 74 VAL H 5.000 . 6.000 3.342 3.296 3.385 . 0 0 "[ . 1]" 1
144 1 74 VAL H 1 74 VAL MG2 4.000 . 4.500 1.737 1.700 1.789 0.100 1 0 "[ . 1]" 1
145 1 74 VAL H 1 75 GLU H 3.500 . 4.000 2.783 2.740 2.820 . 0 0 "[ . 1]" 1
146 1 74 VAL H 1 96 ILE MD 5.000 . 6.000 4.857 4.543 5.009 . 0 0 "[ . 1]" 1
147 1 74 VAL MG2 1 75 GLU H 4.000 . 4.500 3.366 3.313 3.427 . 0 0 "[ . 1]" 1
148 1 75 GLU H 1 76 LYS H 3.500 . 4.000 2.567 2.507 2.629 . 0 0 "[ . 1]" 1
149 1 76 LYS H 1 77 GLY H 3.500 . 4.000 2.657 2.563 2.692 . 0 0 "[ . 1]" 1
150 1 76 LYS H 1 78 LYS H 3.500 . 4.000 3.639 3.593 3.720 . 0 0 "[ . 1]" 1
151 1 77 GLY H 1 78 LYS H 3.500 . 4.000 2.955 2.888 2.996 . 0 0 "[ . 1]" 1
152 1 73 VAL MG1 1 78 LYS H 4.000 . 4.500 2.963 2.835 3.073 . 0 0 "[ . 1]" 1
153 1 78 LYS H 1 79 HIS H 2.500 . 3.000 2.233 2.129 2.386 . 0 0 "[ . 1]" 1
154 1 73 VAL MG1 1 79 HIS H 5.000 . 6.000 3.254 3.158 3.336 . 0 0 "[ . 1]" 1
155 1 81 ILE H 1 82 PHE H 3.500 . 4.000 2.861 2.622 2.920 . 0 0 "[ . 1]" 1
156 1 82 PHE H 1 83 PHE H 3.500 . 4.000 1.773 1.740 1.994 0.060 10 0 "[ . 1]" 1
157 1 82 PHE H 1 84 ILE MD 5.000 . 6.000 4.256 4.014 4.601 . 0 0 "[ . 1]" 1
158 1 83 PHE H 1 84 ILE MD 5.000 . 6.000 4.684 4.569 4.924 . 0 0 "[ . 1]" 1
159 1 83 PHE H 1 84 ILE H 2.500 . 3.000 2.248 2.083 2.563 . 0 0 "[ . 1]" 1
160 1 84 ILE H 1 84 ILE MD 4.000 . 4.500 3.679 3.620 3.719 . 0 0 "[ . 1]" 1
161 1 87 THR H 1 88 THR H 3.500 . 4.000 2.487 2.143 2.771 . 0 0 "[ . 1]" 1
162 1 89 LYS H 1 90 GLU H 2.500 . 3.000 2.919 2.819 3.002 0.002 6 0 "[ . 1]" 1
163 1 90 GLU H 1 91 GLU H 2.500 . 3.000 2.684 2.603 2.748 . 0 0 "[ . 1]" 1
164 1 91 GLU H 1 92 ALA H 2.500 . 3.000 2.677 2.606 2.749 . 0 0 "[ . 1]" 1
165 1 92 ALA H 1 93 LEU MD1 5.000 . 6.000 3.713 3.486 5.092 . 0 0 "[ . 1]" 1
166 1 92 ALA H 1 93 LEU MD2 6.000 . 6.500 4.951 4.498 5.125 . 0 0 "[ . 1]" 1
167 1 92 ALA H 1 93 LEU H 2.500 . 3.000 2.773 2.625 2.887 . 0 0 "[ . 1]" 1
168 1 93 LEU H 1 93 LEU MD1 4.000 . 4.500 1.888 1.665 3.628 0.135 5 0 "[ . 1]" 1
169 1 93 LEU H 1 93 LEU MD2 5.000 . 6.000 3.217 3.095 3.332 . 0 0 "[ . 1]" 1
170 1 93 LEU H 1 94 SER H 2.500 . 3.000 2.692 2.529 2.764 . 0 0 "[ . 1]" 1
171 1 93 LEU MD1 1 94 SER H 4.000 . 4.500 3.607 2.529 3.762 . 0 0 "[ . 1]" 1
172 1 93 LEU MD2 1 94 SER H 4.000 . 4.500 3.869 3.837 3.894 . 0 0 "[ . 1]" 1
173 1 94 SER H 1 95 ASN H 2.500 . 3.000 2.781 2.418 2.871 . 0 0 "[ . 1]" 1
174 1 95 ASN H 1 96 ILE H 2.500 . 3.000 2.879 2.712 2.960 . 0 0 "[ . 1]" 1
175 1 96 ILE H 1 96 ILE MD 5.000 . 6.000 3.005 1.771 3.663 0.029 5 0 "[ . 1]" 1
176 1 96 ILE H 1 97 ASP H 2.500 . 3.000 2.680 2.587 2.792 . 0 0 "[ . 1]" 1
177 1 96 ILE MD 1 97 ASP H 4.000 . 4.500 3.811 3.700 3.949 . 0 0 "[ . 1]" 1
178 1 97 ASP H 1 98 GLN H 2.500 . 3.000 2.781 2.579 2.963 . 0 0 "[ . 1]" 1
179 1 98 GLN H 1 99 ILE MD 6.000 . 6.500 5.033 4.958 5.131 . 0 0 "[ . 1]" 1
180 1 98 GLN H 1 99 ILE H 2.500 . 3.000 2.516 2.479 2.583 . 0 0 "[ . 1]" 1
181 1 98 GLN H 1 100 SER H 3.500 . 4.000 4.011 3.911 4.030 0.030 10 0 "[ . 1]" 1
182 1 99 ILE H 1 99 ILE MD 5.000 . 6.000 3.576 3.521 3.625 . 0 0 "[ . 1]" 1
183 1 99 ILE H 1 100 SER H 2.500 . 3.000 2.466 2.221 2.561 . 0 0 "[ . 1]" 1
184 1 99 ILE H 1 101 ASP H 4.500 . 5.000 4.010 3.811 4.389 . 0 0 "[ . 1]" 1
185 1 99 ILE H 1 102 LYS H 4.500 . 5.000 4.918 4.720 5.014 0.014 10 0 "[ . 1]" 1
186 1 100 SER H 1 101 ASP H 3.500 . 4.000 2.202 1.932 2.434 . 0 0 "[ . 1]" 1
187 1 101 ASP H 1 102 LYS H 2.500 . 3.000 2.745 2.584 2.915 . 0 0 "[ . 1]" 1
188 1 102 LYS H 1 103 ALA H 2.500 . 3.000 2.722 2.401 3.012 0.012 2 0 "[ . 1]" 1
189 1 103 ALA H 1 104 GLU H 2.500 . 3.000 2.758 2.189 3.025 0.025 9 0 "[ . 1]" 1
190 1 104 GLU H 1 105 GLU H 2.500 . 3.000 2.690 2.006 3.001 0.001 5 0 "[ . 1]" 1
191 1 14 LEU MD1 1 17 LEU MD1 6.000 . 6.500 3.895 3.538 4.478 . 0 0 "[ . 1]" 1
192 1 14 LEU MD1 1 17 LEU MD2 4.000 . 4.500 2.312 2.124 2.752 . 0 0 "[ . 1]" 1
193 1 14 LEU MD1 1 44 LEU MD1 6.000 . 6.500 4.510 4.407 4.530 . 0 0 "[ . 1]" 1
194 1 16 VAL MG1 1 17 LEU MD1 6.000 . 6.500 3.259 2.412 3.684 . 0 0 "[ . 1]" 1
195 1 16 VAL MG1 1 70 LEU MD1 4.000 . 4.500 2.151 2.065 2.253 . 0 0 "[ . 1]" 1
196 1 16 VAL MG1 1 70 LEU MD2 5.000 . 5.500 2.202 2.155 2.277 . 0 0 "[ . 1]" 1
197 1 16 VAL MG2 1 70 LEU MD1 5.000 . 5.500 3.003 2.455 3.162 . 0 0 "[ . 1]" 1
198 1 17 LEU MD1 1 31 TRP HE1 5.000 . 5.500 4.549 4.425 4.620 . 0 0 "[ . 1]" 1
199 1 17 LEU MD2 1 31 TRP HE1 5.000 . 5.500 2.274 2.062 2.614 . 0 0 "[ . 1]" 1
200 1 17 LEU MD1 1 44 LEU MD1 4.000 . 4.500 2.694 2.220 3.083 . 0 0 "[ . 1]" 1
201 1 17 LEU MD1 1 44 LEU MD2 4.000 . 4.500 2.351 1.980 2.747 . 0 0 "[ . 1]" 1
202 1 17 LEU MD2 1 44 LEU MD1 3.000 . 3.500 2.076 1.950 2.222 . 0 0 "[ . 1]" 1
203 1 17 LEU MD2 1 44 LEU MD2 3.000 . 3.500 2.332 2.113 2.448 . 0 0 "[ . 1]" 1
204 1 17 LEU MD1 1 46 LEU MD2 5.000 . 5.500 2.384 1.984 3.130 . 0 0 "[ . 1]" 1
205 1 17 LEU MD1 1 46 LEU MD1 4.000 . 4.500 3.036 1.993 3.789 . 0 0 "[ . 1]" 1
206 1 17 LEU MD2 1 46 LEU MD2 5.000 . 5.500 3.135 3.119 3.156 . 0 0 "[ . 1]" 1
207 1 17 LEU MD2 1 46 LEU MD1 4.000 . 4.500 3.124 2.660 3.816 . 0 0 "[ . 1]" 1
208 1 17 LEU MD1 1 70 LEU MD2 6.000 . 6.500 4.036 3.874 4.255 . 0 0 "[ . 1]" 1
209 1 24 VAL MG1 1 46 LEU MD1 5.000 4.500 6.000 5.535 4.768 5.937 . 0 0 "[ . 1]" 1
210 1 34 VAL MG1 1 36 LEU MD1 4.000 . 4.500 2.785 2.093 3.196 . 0 0 "[ . 1]" 1
211 1 34 VAL MG1 1 36 LEU MD2 4.000 . 4.500 2.068 1.824 2.198 . 0 0 "[ . 1]" 1
212 1 34 VAL MG2 1 36 LEU MD1 5.000 . 5.500 3.833 3.801 3.877 . 0 0 "[ . 1]" 1
213 1 34 VAL MG2 1 36 LEU MD2 4.000 . 4.500 3.177 3.162 3.188 . 0 0 "[ . 1]" 1
214 1 31 TRP HE1 1 44 LEU MD1 4.000 . 4.500 3.017 2.214 3.771 . 0 0 "[ . 1]" 1
215 1 44 LEU MD1 1 46 LEU MD2 5.000 . 5.500 3.278 2.832 3.643 . 0 0 "[ . 1]" 1
216 1 44 LEU MD1 1 46 LEU MD1 6.000 . 6.500 2.880 2.141 3.813 . 0 0 "[ . 1]" 1
217 1 44 LEU MD1 1 51 VAL MG2 5.000 . 5.500 3.809 3.549 3.864 . 0 0 "[ . 1]" 1
218 1 44 LEU MD2 1 51 VAL MG2 4.000 . 4.500 2.291 2.083 2.483 . 0 0 "[ . 1]" 1
219 1 49 ILE MD 1 51 VAL MG1 6.000 . 6.500 4.502 4.399 4.525 . 0 0 "[ . 1]" 1
220 1 49 ILE MD 1 73 VAL MG1 4.000 . 4.500 3.135 3.121 3.144 . 0 0 "[ . 1]" 1
221 1 49 ILE MD 1 73 VAL MG2 4.000 . 4.500 2.224 2.068 2.311 . 0 0 "[ . 1]" 1
222 1 67 VAL MG2 1 70 LEU MD1 5.000 . 5.500 3.834 3.828 3.841 . 0 0 "[ . 1]" 1
223 1 70 LEU MD2 1 73 VAL MG1 5.000 . 5.500 3.733 3.608 3.817 . 0 0 "[ . 1]" 1
224 1 73 VAL MG1 1 74 VAL MG2 5.000 . 5.500 3.837 3.823 3.850 . 0 0 "[ . 1]" 1
225 1 73 VAL MG2 1 74 VAL MG2 5.000 . 5.500 3.701 3.643 3.755 . 0 0 "[ . 1]" 1
226 1 16 VAL MG2 1 81 ILE MD 6.000 . 6.500 4.384 4.219 4.487 . 0 0 "[ . 1]" 1
227 1 24 VAL MG2 1 81 ILE MD 5.000 . 5.500 5.261 4.912 5.373 . 0 0 "[ . 1]" 1
228 1 81 ILE MD 1 82 PHE HD2 4.000 . 4.500 2.002 1.985 2.087 . 0 0 "[ . 1]" 1
229 1 81 ILE MD 1 82 PHE HE2 4.000 . 4.500 3.139 2.498 3.250 . 0 0 "[ . 1]" 1
230 1 81 ILE MD 1 82 PHE HZ 5.000 . 5.500 4.696 4.652 4.726 . 0 0 "[ . 1]" 1
231 1 16 VAL MG1 1 84 ILE MD 5.000 . 5.500 3.243 3.027 3.598 . 0 0 "[ . 1]" 1
232 1 16 VAL MG2 1 84 ILE MD 5.000 . 5.500 3.859 3.822 3.879 . 0 0 "[ . 1]" 1
233 1 70 LEU MD1 1 84 ILE MD 3.000 . 3.500 2.498 2.462 2.531 . 0 0 "[ . 1]" 1
234 1 73 VAL MG1 1 84 ILE MD 5.000 . 5.500 3.805 3.668 3.835 . 0 0 "[ . 1]" 1
235 1 73 VAL MG2 1 84 ILE MD 5.000 . 5.500 3.894 3.877 3.905 . 0 0 "[ . 1]" 1
236 1 82 PHE HD2 1 84 ILE MD 4.000 . 4.500 3.751 3.697 3.783 . 0 0 "[ . 1]" 1
237 1 82 PHE HE2 1 84 ILE MD 4.000 . 4.500 2.777 2.270 2.942 . 0 0 "[ . 1]" 1
238 1 84 ILE MD 1 96 ILE MD 4.000 . 4.500 2.876 2.406 3.145 . 0 0 "[ . 1]" 1
239 1 84 ILE MD 1 99 ILE MD 6.000 . 6.500 3.797 3.180 4.203 . 0 0 "[ . 1]" 1
240 1 93 LEU MD1 1 96 ILE MD 5.000 . 5.500 3.488 3.224 3.856 . 0 0 "[ . 1]" 1
241 1 70 LEU MD1 1 96 ILE MD 4.000 . 4.500 3.064 2.874 3.169 . 0 0 "[ . 1]" 1
242 1 70 LEU MD2 1 96 ILE MD 5.000 . 5.500 3.469 3.284 3.555 . 0 0 "[ . 1]" 1
243 1 16 VAL MG1 1 99 ILE MD 6.000 . 6.500 3.600 3.466 3.740 . 0 0 "[ . 1]" 1
244 1 16 VAL MG2 1 99 ILE MD 4.000 . 4.500 2.166 1.983 2.653 . 0 0 "[ . 1]" 1
245 1 70 LEU MD1 1 99 ILE MD 5.000 . 5.500 3.108 2.145 3.469 . 0 0 "[ . 1]" 1
246 1 82 PHE HE2 1 99 ILE MD 4.000 . 4.500 3.795 3.772 3.814 . 0 0 "[ . 1]" 1
247 1 82 PHE HZ 1 99 ILE MD 5.000 . 5.500 3.237 2.656 3.731 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 33
_Distance_constraint_stats_list.Viol_count 37
_Distance_constraint_stats_list.Viol_total 17.348
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0469
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASN 1.735 0.101 6 0 "[ . 1]"
1 4 ASP 0.000 0.000 . 0 "[ . 1]"
1 5 LEU 0.000 0.000 . 0 "[ . 1]"
1 6 GLU 0.000 0.000 . 0 "[ . 1]"
1 7 MET 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 0.000 0.000 . 0 "[ . 1]"
1 10 LYS 0.000 0.000 . 0 "[ . 1]"
1 11 LYS 0.000 0.000 . 0 "[ . 1]"
1 12 THR 0.000 0.000 . 0 "[ . 1]"
1 14 LEU 0.012 0.012 4 0 "[ . 1]"
1 15 MET 0.000 0.000 . 0 "[ . 1]"
1 16 VAL 0.000 0.000 . 0 "[ . 1]"
1 17 LEU 0.000 0.000 . 0 "[ . 1]"
1 18 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 ALA 0.000 0.000 . 0 "[ . 1]"
1 22 LYS 0.000 0.000 . 0 "[ . 1]"
1 23 ALA 0.000 0.000 . 0 "[ . 1]"
1 24 VAL 0.000 0.000 . 0 "[ . 1]"
1 25 TYR 0.000 0.000 . 0 "[ . 1]"
1 26 GLN 0.604 0.086 9 0 "[ . 1]"
1 27 LYS 0.000 0.000 . 0 "[ . 1]"
1 81 ILE 0.000 0.000 . 0 "[ . 1]"
1 82 PHE 0.657 0.101 6 0 "[ . 1]"
1 83 PHE 0.000 0.000 . 0 "[ . 1]"
1 84 ILE 0.000 0.000 . 0 "[ . 1]"
1 86 GLY 0.000 0.000 . 0 "[ . 1]"
1 87 THR 0.000 0.000 . 0 "[ . 1]"
1 88 THR 0.087 0.024 2 0 "[ . 1]"
1 89 LYS 0.000 0.000 . 0 "[ . 1]"
1 92 ALA 0.339 0.048 1 0 "[ . 1]"
1 94 SER 0.000 0.000 . 0 "[ . 1]"
1 98 GLN 0.035 0.027 9 0 "[ . 1]"
1 99 ILE 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN CB 1 83 PHE H 10.000 5.000 15.000 7.814 7.648 8.137 . 0 0 "[ . 1]" 2
2 1 1 ASN CB 1 5 LEU H 10.000 5.000 15.000 8.725 7.690 10.162 . 0 0 "[ . 1]" 2
3 1 1 ASN CB 1 24 VAL H 10.000 5.000 15.000 12.439 12.231 12.760 . 0 0 "[ . 1]" 2
4 1 1 ASN CB 1 22 LYS H 10.000 5.000 15.000 12.612 12.255 12.804 . 0 0 "[ . 1]" 2
5 1 1 ASN CB 1 9 LEU H 10.000 5.000 15.000 12.077 10.022 13.690 . 0 0 "[ . 1]" 2
6 1 1 ASN CB 1 10 LYS H 10.000 5.000 15.000 12.396 9.417 14.653 . 0 0 "[ . 1]" 2
7 1 1 ASN CB 1 87 THR H 10.000 5.000 15.000 12.651 12.502 12.866 . 0 0 "[ . 1]" 2
8 1 1 ASN CB 1 26 GLN H 10.000 5.000 15.000 15.060 15.017 15.086 0.086 9 0 "[ . 1]" 2
9 1 1 ASN CB 1 21 ALA H 10.000 5.000 15.000 12.831 12.375 13.241 . 0 0 "[ . 1]" 2
10 1 1 ASN CB 1 88 THR H 10.000 5.000 15.000 14.986 14.920 15.024 0.024 2 0 "[ . 1]" 2
11 1 1 ASN CB 1 81 ILE H 10.000 5.000 15.000 11.317 11.174 11.399 . 0 0 "[ . 1]" 2
12 1 1 ASN CB 1 86 GLY H 10.000 5.000 15.000 10.024 9.804 10.350 . 0 0 "[ . 1]" 2
13 1 1 ASN CB 1 18 GLU H 10.000 5.000 15.000 13.329 12.849 13.755 . 0 0 "[ . 1]" 2
14 1 1 ASN CB 1 20 ALA H 10.000 5.000 15.000 10.545 10.053 10.884 . 0 0 "[ . 1]" 2
15 1 1 ASN CB 1 4 ASP H 10.000 5.000 15.000 6.956 5.186 8.626 . 0 0 "[ . 1]" 2
16 1 1 ASN CB 1 7 MET H 10.000 5.000 15.000 8.564 6.635 10.015 . 0 0 "[ . 1]" 2
17 1 1 ASN CB 1 92 ALA H 10.000 5.000 15.000 15.034 15.026 15.048 0.048 1 0 "[ . 1]" 2
18 1 1 ASN CB 1 12 THR H 10.000 5.000 15.000 13.595 11.724 14.517 . 0 0 "[ . 1]" 2
19 1 1 ASN CB 1 6 GLU H 12.000 7.000 17.000 9.153 7.303 10.280 . 0 0 "[ . 1]" 2
20 1 1 ASN CB 1 25 TYR H 12.000 7.000 17.000 15.014 14.843 15.285 . 0 0 "[ . 1]" 2
21 1 1 ASN CB 1 16 VAL H 12.000 7.000 17.000 11.609 11.130 12.052 . 0 0 "[ . 1]" 2
22 1 1 ASN CB 1 84 ILE H 12.000 7.000 17.000 8.101 8.008 8.270 . 0 0 "[ . 1]" 2
23 1 1 ASN CB 1 17 LEU H 12.000 7.000 17.000 12.765 12.349 13.067 . 0 0 "[ . 1]" 2
24 1 1 ASN CB 1 15 MET H 12.000 7.000 17.000 13.369 12.981 13.934 . 0 0 "[ . 1]" 2
25 1 1 ASN CB 1 27 LYS H 14.000 9.000 19.000 16.752 16.638 16.903 . 0 0 "[ . 1]" 2
26 1 1 ASN CB 1 82 PHE H 14.000 9.000 19.000 8.934 8.899 8.971 0.101 6 0 "[ . 1]" 2
27 1 1 ASN CB 1 11 LYS H 14.000 9.000 19.000 13.439 11.822 14.916 . 0 0 "[ . 1]" 2
28 1 1 ASN CB 1 99 ILE H 16.000 11.000 21.000 13.973 13.651 14.492 . 0 0 "[ . 1]" 2
29 1 1 ASN CB 1 89 LYS H 16.000 11.000 21.000 18.760 18.325 19.019 . 0 0 "[ . 1]" 2
30 1 1 ASN CB 1 23 ALA H 18.000 10.000 23.000 10.913 10.781 11.033 . 0 0 "[ . 1]" 2
31 1 1 ASN CB 1 98 GLN H 20.000 15.000 25.000 15.254 14.973 15.708 0.027 9 0 "[ . 1]" 2
32 1 1 ASN CB 1 94 SER H 20.000 15.000 25.000 16.781 16.110 17.006 . 0 0 "[ . 1]" 2
33 1 1 ASN CB 1 14 LEU H 20.000 15.000 25.000 15.553 14.988 16.099 0.012 4 0 "[ . 1]" 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 102
_Distance_constraint_stats_list.Viol_count 230
_Distance_constraint_stats_list.Viol_total 81.443
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0354
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ASP 0.090 0.040 2 0 "[ . 1]"
1 5 LEU 0.057 0.039 3 0 "[ . 1]"
1 6 GLU 0.029 0.029 2 0 "[ . 1]"
1 8 PHE 0.090 0.040 2 0 "[ . 1]"
1 9 LEU 0.057 0.039 3 0 "[ . 1]"
1 10 LYS 0.029 0.029 2 0 "[ . 1]"
1 14 LEU 0.000 0.000 . 0 "[ . 1]"
1 15 MET 0.037 0.032 3 0 "[ . 1]"
1 16 VAL 0.092 0.048 4 0 "[ . 1]"
1 17 LEU 0.277 0.057 7 0 "[ . 1]"
1 18 GLU 0.018 0.014 10 0 "[ . 1]"
1 19 GLU 0.040 0.032 3 0 "[ . 1]"
1 20 ALA 0.092 0.048 4 0 "[ . 1]"
1 21 ALA 0.681 0.061 1 0 "[ . 1]"
1 22 LYS 0.018 0.014 10 0 "[ . 1]"
1 23 ALA 0.003 0.003 9 0 "[ . 1]"
1 24 VAL 0.000 0.000 . 0 "[ . 1]"
1 25 TYR 0.403 0.061 1 0 "[ . 1]"
1 30 THR 1.071 0.135 3 0 "[ . 1]"
1 32 GLY 0.154 0.030 1 0 "[ . 1]"
1 34 VAL 0.462 0.078 2 0 "[ . 1]"
1 36 LEU 0.796 0.099 8 0 "[ . 1]"
1 39 GLY 0.796 0.099 8 0 "[ . 1]"
1 40 PHE 0.138 0.063 9 0 "[ . 1]"
1 41 GLU 0.462 0.078 2 0 "[ . 1]"
1 42 MET 0.156 0.060 3 0 "[ . 1]"
1 43 THR 0.154 0.030 1 0 "[ . 1]"
1 44 LEU 0.085 0.062 6 0 "[ . 1]"
1 45 ILE 1.071 0.135 3 0 "[ . 1]"
1 46 LEU 0.226 0.055 5 0 "[ . 1]"
1 49 ILE 0.226 0.055 5 0 "[ . 1]"
1 51 VAL 0.085 0.062 6 0 "[ . 1]"
1 53 GLY 0.156 0.060 3 0 "[ . 1]"
1 55 ALA 0.138 0.063 9 0 "[ . 1]"
1 57 SER 0.026 0.023 10 0 "[ . 1]"
1 58 LYS 0.164 0.073 5 0 "[ . 1]"
1 59 LYS 0.236 0.047 3 0 "[ . 1]"
1 60 ALA 0.014 0.013 8 0 "[ . 1]"
1 61 ALA 0.391 0.066 7 0 "[ . 1]"
1 62 ARG 0.333 0.073 5 0 "[ . 1]"
1 63 GLN 0.236 0.047 3 0 "[ . 1]"
1 64 LYS 0.062 0.024 6 0 "[ . 1]"
1 65 ALA 0.402 0.066 7 0 "[ . 1]"
1 66 ALA 0.371 0.058 4 0 "[ . 1]"
1 67 VAL 0.000 0.000 . 0 "[ . 1]"
1 68 GLU 0.403 0.061 4 0 "[ . 1]"
1 69 TYR 0.820 0.108 5 0 "[ . 1]"
1 70 LEU 0.836 0.117 10 0 "[ . 1]"
1 71 ARG 0.043 0.028 10 0 "[ . 1]"
1 72 LYS 0.387 0.061 4 0 "[ . 1]"
1 73 VAL 0.784 0.108 5 0 "[ . 1]"
1 74 VAL 0.634 0.117 10 0 "[ . 1]"
1 75 GLU 0.043 0.028 10 0 "[ . 1]"
1 76 LYS 0.031 0.016 9 0 "[ . 1]"
1 89 LYS 0.361 0.086 10 0 "[ . 1]"
1 90 GLU 0.069 0.047 4 0 "[ . 1]"
1 91 GLU 0.063 0.029 3 0 "[ . 1]"
1 92 ALA 0.189 0.082 2 0 "[ . 1]"
1 93 LEU 0.404 0.086 10 0 "[ . 1]"
1 94 SER 0.069 0.047 4 0 "[ . 1]"
1 95 ASN 0.148 0.031 8 0 "[ . 1]"
1 96 ILE 0.321 0.082 2 0 "[ . 1]"
1 97 ASP 0.043 0.043 2 0 "[ . 1]"
1 98 GLN 0.000 0.000 . 0 "[ . 1]"
1 99 ILE 0.085 0.031 8 0 "[ . 1]"
1 100 SER 0.133 0.036 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 4 ASP O 1 8 PHE H 2.150 . 2.500 2.337 2.102 2.449 . 0 0 "[ . 1]" 3
2 1 4 ASP O 1 8 PHE N 2.900 2.500 3.300 3.210 3.012 3.340 0.040 2 0 "[ . 1]" 3
3 1 5 LEU O 1 9 LEU H 2.150 . 2.500 2.234 2.031 2.396 . 0 0 "[ . 1]" 3
4 1 5 LEU O 1 9 LEU N 2.900 2.500 3.300 3.131 2.953 3.339 0.039 3 0 "[ . 1]" 3
5 1 6 GLU O 1 10 LYS H 2.150 . 2.500 2.069 1.771 2.462 0.029 2 0 "[ . 1]" 3
6 1 6 GLU O 1 10 LYS N 2.900 2.500 3.300 2.912 2.736 3.237 . 0 0 "[ . 1]" 3
7 1 14 LEU O 1 18 GLU H 2.150 . 2.500 1.995 1.837 2.177 . 0 0 "[ . 1]" 3
8 1 14 LEU O 1 18 GLU N 2.900 2.500 3.300 2.968 2.814 3.142 . 0 0 "[ . 1]" 3
9 1 15 MET O 1 19 GLU H 2.150 . 2.500 2.006 1.768 2.211 0.032 3 0 "[ . 1]" 3
10 1 15 MET O 1 19 GLU N 2.900 2.500 3.300 2.930 2.666 3.118 . 0 0 "[ . 1]" 3
11 1 16 VAL O 1 20 ALA H 2.150 . 2.500 1.907 1.752 2.217 0.048 4 0 "[ . 1]" 3
12 1 16 VAL O 1 20 ALA N 2.900 2.500 3.300 2.781 2.631 3.104 . 0 0 "[ . 1]" 3
13 1 17 LEU O 1 21 ALA H 2.150 . 2.500 1.777 1.743 1.828 0.057 7 0 "[ . 1]" 3
14 1 17 LEU O 1 21 ALA N 2.900 2.500 3.300 2.738 2.641 2.793 . 0 0 "[ . 1]" 3
15 1 18 GLU O 1 22 LYS H 2.150 . 2.500 2.310 1.940 2.514 0.014 10 0 "[ . 1]" 3
16 1 18 GLU O 1 22 LYS N 2.900 2.500 3.300 3.128 2.770 3.293 . 0 0 "[ . 1]" 3
17 1 19 GLU O 1 23 ALA H 2.150 . 2.500 1.970 1.797 2.083 0.003 9 0 "[ . 1]" 3
18 1 19 GLU O 1 23 ALA N 2.900 2.500 3.300 2.913 2.745 3.039 . 0 0 "[ . 1]" 3
19 1 20 ALA O 1 24 VAL H 2.150 . 2.500 2.081 1.878 2.378 . 0 0 "[ . 1]" 3
20 1 20 ALA O 1 24 VAL N 2.900 2.500 3.300 2.913 2.732 3.182 . 0 0 "[ . 1]" 3
21 1 21 ALA O 1 25 TYR H 2.150 . 2.500 2.409 2.396 2.429 . 0 0 "[ . 1]" 3
22 1 21 ALA O 1 25 TYR N 2.900 2.500 3.300 3.340 3.325 3.361 0.061 1 0 "[ . 1]" 3
23 1 30 THR H 1 45 ILE O 2.150 . 2.500 2.501 2.427 2.534 0.034 6 0 "[ . 1]" 3
24 1 30 THR N 1 45 ILE O 2.900 2.500 3.300 3.390 3.368 3.435 0.135 3 0 "[ . 1]" 3
25 1 30 THR O 1 45 ILE H 2.150 . 2.500 2.307 2.131 2.486 . 0 0 "[ . 1]" 3
26 1 30 THR O 1 45 ILE N 2.900 2.500 3.300 3.180 3.025 3.348 0.048 4 0 "[ . 1]" 3
27 1 32 GLY H 1 43 THR O 2.150 . 2.500 2.510 2.457 2.530 0.030 1 0 "[ . 1]" 3
28 1 32 GLY N 1 43 THR O 2.900 2.500 3.300 3.169 3.004 3.290 . 0 0 "[ . 1]" 3
29 1 32 GLY O 1 43 THR H 2.150 . 2.500 2.230 1.954 2.344 . 0 0 "[ . 1]" 3
30 1 32 GLY O 1 43 THR N 2.900 2.500 3.300 3.142 2.894 3.274 . 0 0 "[ . 1]" 3
31 1 34 VAL H 1 41 GLU O 2.150 . 2.500 2.290 1.875 2.402 . 0 0 "[ . 1]" 3
32 1 34 VAL N 1 41 GLU O 2.900 2.500 3.300 3.163 2.810 3.259 . 0 0 "[ . 1]" 3
33 1 34 VAL O 1 41 GLU H 2.150 . 2.500 2.458 2.213 2.560 0.060 5 0 "[ . 1]" 3
34 1 34 VAL O 1 41 GLU N 2.900 2.500 3.300 3.314 3.064 3.378 0.078 2 0 "[ . 1]" 3
35 1 36 LEU H 1 39 GLY O 2.150 . 2.500 1.980 1.724 2.158 0.076 5 0 "[ . 1]" 3
36 1 36 LEU N 1 39 GLY O 2.900 2.500 3.300 2.945 2.659 3.136 . 0 0 "[ . 1]" 3
37 1 36 LEU O 1 39 GLY H 2.150 . 2.500 1.733 1.701 1.759 0.099 8 0 "[ . 1]" 3
38 1 36 LEU O 1 39 GLY N 2.900 2.500 3.300 2.674 2.636 2.708 . 0 0 "[ . 1]" 3
39 1 46 LEU H 1 49 ILE O 2.150 . 2.500 1.947 1.745 2.199 0.055 6 0 "[ . 1]" 3
40 1 46 LEU N 1 49 ILE O 2.900 2.500 3.300 2.797 2.610 3.042 . 0 0 "[ . 1]" 3
41 1 46 LEU O 1 49 ILE H 2.150 . 2.500 2.102 1.799 2.555 0.055 5 0 "[ . 1]" 3
42 1 46 LEU O 1 49 ILE N 2.900 2.500 3.300 2.934 2.690 3.268 . 0 0 "[ . 1]" 3
43 1 44 LEU H 1 51 VAL O 2.150 . 2.500 1.939 1.738 2.319 0.062 6 0 "[ . 1]" 3
44 1 44 LEU N 1 51 VAL O 2.900 2.500 3.300 2.913 2.714 3.266 . 0 0 "[ . 1]" 3
45 1 44 LEU O 1 51 VAL H 2.150 . 2.500 2.015 1.856 2.380 . 0 0 "[ . 1]" 3
46 1 44 LEU O 1 51 VAL N 2.900 2.500 3.300 2.956 2.798 3.303 0.003 4 0 "[ . 1]" 3
47 1 42 MET H 1 53 GLY O 2.150 . 2.500 2.152 1.921 2.363 . 0 0 "[ . 1]" 3
48 1 42 MET N 1 53 GLY O 2.900 2.500 3.300 3.069 2.857 3.228 . 0 0 "[ . 1]" 3
49 1 42 MET O 1 53 GLY H 2.150 . 2.500 2.350 2.120 2.508 0.008 3 0 "[ . 1]" 3
50 1 42 MET O 1 53 GLY N 2.900 2.500 3.300 3.218 2.958 3.360 0.060 3 0 "[ . 1]" 3
51 1 40 PHE H 1 55 ALA O 2.150 . 2.500 2.321 2.042 2.470 . 0 0 "[ . 1]" 3
52 1 40 PHE N 1 55 ALA O 2.900 2.500 3.300 3.244 2.977 3.363 0.063 9 0 "[ . 1]" 3
53 1 40 PHE O 1 55 ALA H 2.150 . 2.500 2.188 1.962 2.334 . 0 0 "[ . 1]" 3
54 1 40 PHE O 1 55 ALA N 2.900 2.500 3.300 3.130 2.934 3.267 . 0 0 "[ . 1]" 3
55 1 57 SER O 1 61 ALA H 2.150 . 2.500 2.439 2.310 2.523 0.023 10 0 "[ . 1]" 3
56 1 57 SER O 1 61 ALA N 2.900 2.500 3.300 3.103 3.018 3.168 . 0 0 "[ . 1]" 3
57 1 58 LYS O 1 62 ARG H 2.150 . 2.500 2.350 2.193 2.459 . 0 0 "[ . 1]" 3
58 1 58 LYS O 1 62 ARG N 2.900 2.500 3.300 3.251 3.034 3.373 0.073 5 0 "[ . 1]" 3
59 1 59 LYS O 1 63 GLN H 2.150 . 2.500 2.367 2.333 2.389 . 0 0 "[ . 1]" 3
60 1 59 LYS O 1 63 GLN N 2.900 2.500 3.300 3.324 3.304 3.347 0.047 3 0 "[ . 1]" 3
61 1 60 ALA O 1 64 LYS H 2.150 . 2.500 2.231 2.023 2.373 . 0 0 "[ . 1]" 3
62 1 60 ALA O 1 64 LYS N 2.900 2.500 3.300 3.166 2.968 3.313 0.013 8 0 "[ . 1]" 3
63 1 61 ALA O 1 65 ALA H 2.150 . 2.500 2.475 2.383 2.519 0.019 7 0 "[ . 1]" 3
64 1 61 ALA O 1 65 ALA N 2.900 2.500 3.300 3.333 3.305 3.366 0.066 7 0 "[ . 1]" 3
65 1 62 ARG O 1 66 ALA H 2.150 . 2.500 1.798 1.742 1.895 0.058 4 0 "[ . 1]" 3
66 1 62 ARG O 1 66 ALA N 2.900 2.500 3.300 2.771 2.696 2.872 . 0 0 "[ . 1]" 3
67 1 63 GLN O 1 67 VAL H 2.150 . 2.500 2.247 1.977 2.407 . 0 0 "[ . 1]" 3
68 1 63 GLN O 1 67 VAL N 2.900 2.500 3.300 3.124 2.909 3.274 . 0 0 "[ . 1]" 3
69 1 64 LYS O 1 68 GLU H 2.150 . 2.500 2.299 2.188 2.365 . 0 0 "[ . 1]" 3
70 1 64 LYS O 1 68 GLU N 2.900 2.500 3.300 3.252 3.153 3.324 0.024 6 0 "[ . 1]" 3
71 1 65 ALA O 1 69 TYR H 2.150 . 2.500 2.353 2.267 2.443 . 0 0 "[ . 1]" 3
72 1 65 ALA O 1 69 TYR N 2.900 2.500 3.300 3.261 3.189 3.325 0.025 5 0 "[ . 1]" 3
73 1 66 ALA O 1 70 LEU H 2.150 . 2.500 2.346 2.297 2.381 . 0 0 "[ . 1]" 3
74 1 66 ALA O 1 70 LEU N 2.900 2.500 3.300 3.316 3.260 3.346 0.046 7 0 "[ . 1]" 3
75 1 67 VAL O 1 71 ARG H 2.150 . 2.500 2.219 2.065 2.357 . 0 0 "[ . 1]" 3
76 1 67 VAL O 1 71 ARG N 2.900 2.500 3.300 3.135 2.995 3.241 . 0 0 "[ . 1]" 3
77 1 68 GLU O 1 72 LYS H 2.150 . 2.500 2.417 2.357 2.440 . 0 0 "[ . 1]" 3
78 1 68 GLU O 1 72 LYS N 2.900 2.500 3.300 3.335 3.290 3.361 0.061 4 0 "[ . 1]" 3
79 1 69 TYR O 1 73 VAL H 2.150 . 2.500 2.514 2.489 2.548 0.048 5 0 "[ . 1]" 3
80 1 69 TYR O 1 73 VAL N 2.900 2.500 3.300 3.363 3.337 3.408 0.108 5 0 "[ . 1]" 3
81 1 70 LEU O 1 74 VAL H 2.150 . 2.500 2.411 2.364 2.473 . 0 0 "[ . 1]" 3
82 1 70 LEU O 1 74 VAL N 2.900 2.500 3.300 3.363 3.320 3.417 0.117 10 0 "[ . 1]" 3
83 1 71 ARG O 1 75 GLU H 2.150 . 2.500 2.313 2.137 2.422 . 0 0 "[ . 1]" 3
84 1 71 ARG O 1 75 GLU N 2.900 2.500 3.300 3.254 3.091 3.328 0.028 10 0 "[ . 1]" 3
85 1 72 LYS O 1 76 LYS H 2.150 . 2.500 2.451 2.291 2.516 0.016 9 0 "[ . 1]" 3
86 1 72 LYS O 1 76 LYS N 2.900 2.500 3.300 3.156 2.989 3.278 . 0 0 "[ . 1]" 3
87 1 89 LYS O 1 93 LEU H 2.150 . 2.500 2.368 2.322 2.418 . 0 0 "[ . 1]" 3
88 1 89 LYS O 1 93 LEU N 2.900 2.500 3.300 3.334 3.277 3.386 0.086 10 0 "[ . 1]" 3
89 1 90 GLU O 1 94 SER H 2.150 . 2.500 1.946 1.753 2.268 0.047 4 0 "[ . 1]" 3
90 1 90 GLU O 1 94 SER N 2.900 2.500 3.300 2.798 2.626 3.085 . 0 0 "[ . 1]" 3
91 1 91 GLU O 1 95 ASN H 2.150 . 2.500 1.977 1.771 2.372 0.029 3 0 "[ . 1]" 3
92 1 91 GLU O 1 95 ASN N 2.900 2.500 3.300 2.767 2.611 3.074 . 0 0 "[ . 1]" 3
93 1 92 ALA O 1 96 ILE H 2.150 . 2.500 2.324 2.219 2.475 . 0 0 "[ . 1]" 3
94 1 92 ALA O 1 96 ILE N 2.900 2.500 3.300 3.282 3.197 3.382 0.082 2 0 "[ . 1]" 3
95 1 93 LEU O 1 97 ASP H 2.150 . 2.500 2.006 1.817 2.481 . 0 0 "[ . 1]" 3
96 1 93 LEU O 1 97 ASP N 2.900 2.500 3.300 2.957 2.765 3.343 0.043 2 0 "[ . 1]" 3
97 1 94 SER O 1 98 GLN H 2.150 . 2.500 2.069 1.860 2.232 . 0 0 "[ . 1]" 3
98 1 94 SER O 1 98 GLN N 2.900 2.500 3.300 2.927 2.764 3.076 . 0 0 "[ . 1]" 3
99 1 95 ASN O 1 99 ILE H 2.150 . 2.500 2.317 1.794 2.531 0.031 8 0 "[ . 1]" 3
100 1 95 ASN O 1 99 ILE N 2.900 2.500 3.300 3.103 2.642 3.301 0.001 9 0 "[ . 1]" 3
101 1 96 ILE O 1 100 SER H 2.150 . 2.500 2.474 2.274 2.536 0.036 9 0 "[ . 1]" 3
102 1 96 ILE O 1 100 SER N 2.900 2.500 3.300 3.208 3.028 3.324 0.024 8 0 "[ . 1]" 3
stop_
save_
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