NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
497255 |
2ksd   |
16947 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ksd
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 73
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 3.385
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0242
_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 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.031 0.031 17 0 "[ . 1 . 2]"
1 27 LEU 0.133 0.071 13 0 "[ . 1 . 2]"
1 28 ALA 0.103 0.071 13 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 18 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.020 0.013 6 0 "[ . 1 . 2]"
1 63 LEU 0.020 0.013 6 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.016 0.016 18 0 "[ . 1 . 2]"
1 71 TYR 0.016 0.016 18 0 "[ . 1 . 2]"
1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 SER H 1 25 MET H . . 5.000 3.990 2.222 4.639 . 0 0 "[ . 1 . 2]" 1
2 1 25 MET H 1 26 LEU H . . 5.000 3.485 2.787 4.413 . 0 0 "[ . 1 . 2]" 1
3 1 26 LEU H 1 27 LEU H . . 3.000 2.808 2.066 3.031 0.031 17 0 "[ . 1 . 2]" 1
4 1 26 LEU H 1 28 ALA H . . 5.000 4.401 4.057 4.628 . 0 0 "[ . 1 . 2]" 1
5 1 27 LEU H 1 28 ALA H . . 3.000 2.913 2.784 3.071 0.071 13 0 "[ . 1 . 2]" 1
6 1 28 ALA H 1 29 LEU H . . 3.000 2.883 2.748 3.000 0.000 18 0 "[ . 1 . 2]" 1
7 1 28 ALA H 1 30 ALA H . . 5.000 4.438 4.207 4.587 . 0 0 "[ . 1 . 2]" 1
8 1 29 LEU H 1 30 ALA H . . 3.000 2.844 2.772 2.942 . 0 0 "[ . 1 . 2]" 1
9 1 29 LEU H 1 31 LEU H . . 5.000 4.280 4.086 4.522 . 0 0 "[ . 1 . 2]" 1
10 1 30 ALA H 1 31 LEU H . . 3.000 2.683 2.582 2.782 . 0 0 "[ . 1 . 2]" 1
11 1 30 ALA H 1 32 VAL H . . 5.000 4.184 4.056 4.302 . 0 0 "[ . 1 . 2]" 1
12 1 31 LEU H 1 32 VAL H . . 3.000 2.593 2.499 2.679 . 0 0 "[ . 1 . 2]" 1
13 1 31 LEU H 1 33 VAL H . . 5.000 4.179 4.050 4.304 . 0 0 "[ . 1 . 2]" 1
14 1 32 VAL H 1 33 VAL H . . 3.000 2.784 2.703 2.871 . 0 0 "[ . 1 . 2]" 1
15 1 32 VAL H 1 34 LEU H . . 5.000 4.225 4.090 4.384 . 0 0 "[ . 1 . 2]" 1
16 1 33 VAL H 1 34 LEU H . . 3.000 2.801 2.711 2.889 . 0 0 "[ . 1 . 2]" 1
17 1 33 VAL H 1 35 ALA H . . 5.000 4.230 4.136 4.358 . 0 0 "[ . 1 . 2]" 1
18 1 34 LEU H 1 35 ALA H . . 3.000 2.816 2.750 2.894 . 0 0 "[ . 1 . 2]" 1
19 1 34 LEU H 1 36 ILE H . . 5.000 4.306 4.205 4.496 . 0 0 "[ . 1 . 2]" 1
20 1 35 ALA H 1 36 ILE H . . 3.000 2.808 2.754 2.900 . 0 0 "[ . 1 . 2]" 1
21 1 35 ALA H 1 37 VAL H . . 5.000 4.243 4.081 4.410 . 0 0 "[ . 1 . 2]" 1
22 1 36 ILE H 1 37 VAL H . . 3.000 2.771 2.712 2.869 . 0 0 "[ . 1 . 2]" 1
23 1 36 ILE H 1 38 VAL H . . 5.000 4.280 4.134 4.515 . 0 0 "[ . 1 . 2]" 1
24 1 37 VAL H 1 38 VAL H . . 3.000 2.805 2.734 2.924 . 0 0 "[ . 1 . 2]" 1
25 1 38 VAL H 1 39 GLN H . . 3.000 2.796 2.713 2.867 . 0 0 "[ . 1 . 2]" 1
26 1 39 GLN H 1 40 MET H . . 3.000 2.812 2.725 2.915 . 0 0 "[ . 1 . 2]" 1
27 1 40 MET H 1 41 ALA H . . 3.000 2.784 2.697 2.907 . 0 0 "[ . 1 . 2]" 1
28 1 41 ALA H 1 42 VAL H . . 3.000 2.835 2.723 2.914 . 0 0 "[ . 1 . 2]" 1
29 1 42 VAL H 1 43 THR H . . 3.000 2.796 2.703 2.953 . 0 0 "[ . 1 . 2]" 1
30 1 43 THR H 1 44 MET H . . 3.000 2.754 2.675 2.826 . 0 0 "[ . 1 . 2]" 1
31 1 44 MET H 1 45 VAL H . . 3.000 2.740 2.566 2.888 . 0 0 "[ . 1 . 2]" 1
32 1 44 MET H 1 46 LEU H . . 5.000 4.143 3.966 4.389 . 0 0 "[ . 1 . 2]" 1
33 1 45 VAL H 1 46 LEU H . . 3.000 2.649 2.473 2.800 . 0 0 "[ . 1 . 2]" 1
34 1 46 LEU H 1 47 HIS H . . 5.000 3.944 2.714 4.645 . 0 0 "[ . 1 . 2]" 1
35 1 51 GLU H 1 52 SER H . . 5.000 3.344 2.111 4.488 . 0 0 "[ . 1 . 2]" 1
36 1 52 SER H 1 53 ILE H . . 5.000 3.621 2.140 4.661 . 0 0 "[ . 1 . 2]" 1
37 1 53 ILE H 1 54 ASP H . . 5.000 2.912 2.142 4.414 . 0 0 "[ . 1 . 2]" 1
38 1 58 SER H 1 59 ILE H . . 5.000 2.999 2.748 3.246 . 0 0 "[ . 1 . 2]" 1
39 1 58 SER H 1 60 PHE H . . 5.000 4.169 3.871 4.469 . 0 0 "[ . 1 . 2]" 1
40 1 59 ILE H 1 60 PHE H . . 3.000 2.873 2.786 2.957 . 0 0 "[ . 1 . 2]" 1
41 1 59 ILE H 1 61 PHE H . . 5.000 4.402 4.265 4.638 . 0 0 "[ . 1 . 2]" 1
42 1 60 PHE H 1 61 PHE H . . 3.000 2.838 2.741 2.937 . 0 0 "[ . 1 . 2]" 1
43 1 60 PHE H 1 62 GLY H . . 5.000 4.449 4.271 4.663 . 0 0 "[ . 1 . 2]" 1
44 1 61 PHE H 1 62 GLY H . . 3.000 2.871 2.775 2.984 . 0 0 "[ . 1 . 2]" 1
45 1 62 GLY H 1 63 LEU H . . 3.000 2.939 2.841 3.013 0.013 6 0 "[ . 1 . 2]" 1
46 1 62 GLY H 1 64 LEU H . . 5.000 4.382 4.192 4.635 . 0 0 "[ . 1 . 2]" 1
47 1 63 LEU H 1 64 LEU H . . 3.000 2.751 2.666 2.887 . 0 0 "[ . 1 . 2]" 1
48 1 63 LEU H 1 65 ILE H . . 5.000 3.993 3.801 4.135 . 0 0 "[ . 1 . 2]" 1
49 1 64 LEU H 1 65 ILE H . . 3.000 2.658 2.560 2.783 . 0 0 "[ . 1 . 2]" 1
50 1 64 LEU H 1 66 THR H . . 5.000 4.324 4.131 4.643 . 0 0 "[ . 1 . 2]" 1
51 1 65 ILE H 1 66 THR H . . 3.000 2.718 2.597 2.896 . 0 0 "[ . 1 . 2]" 1
52 1 66 THR H 1 68 TRP H . . 5.000 3.933 3.831 4.032 . 0 0 "[ . 1 . 2]" 1
53 1 68 TRP H 1 69 ALA H . . 3.000 2.776 2.695 2.856 . 0 0 "[ . 1 . 2]" 1
54 1 68 TRP H 1 70 VAL H . . 5.000 4.210 4.081 4.308 . 0 0 "[ . 1 . 2]" 1
55 1 69 ALA H 1 70 VAL H . . 3.000 2.736 2.657 2.911 . 0 0 "[ . 1 . 2]" 1
56 1 69 ALA H 1 71 TYR H . . 5.000 4.350 4.159 4.692 . 0 0 "[ . 1 . 2]" 1
57 1 70 VAL H 1 71 TYR H . . 3.000 2.841 2.752 3.016 0.016 18 0 "[ . 1 . 2]" 1
58 1 70 VAL H 1 72 PHE H . . 5.000 4.298 4.112 4.507 . 0 0 "[ . 1 . 2]" 1
59 1 71 TYR H 1 72 PHE H . . 3.000 2.787 2.695 2.885 . 0 0 "[ . 1 . 2]" 1
60 1 71 TYR H 1 73 LEU H . . 5.000 4.312 4.138 4.491 . 0 0 "[ . 1 . 2]" 1
61 1 72 PHE H 1 73 LEU H . . 3.000 2.872 2.779 2.990 . 0 0 "[ . 1 . 2]" 1
62 1 72 PHE H 1 74 SER H . . 5.000 4.339 4.199 4.541 . 0 0 "[ . 1 . 2]" 1
63 1 73 LEU H 1 74 SER H . . 3.000 2.830 2.753 2.913 . 0 0 "[ . 1 . 2]" 1
64 1 73 LEU H 1 75 VAL H . . 5.000 4.329 4.124 4.653 . 0 0 "[ . 1 . 2]" 1
65 1 74 SER H 1 75 VAL H . . 3.000 2.832 2.734 2.945 . 0 0 "[ . 1 . 2]" 1
66 1 74 SER H 1 76 VAL H . . 5.000 4.246 4.040 4.678 . 0 0 "[ . 1 . 2]" 1
67 1 75 VAL H 1 76 VAL H . . 3.000 2.817 2.741 2.983 . 0 0 "[ . 1 . 2]" 1
68 1 75 VAL H 1 77 VAL H . . 5.000 4.233 4.047 4.407 . 0 0 "[ . 1 . 2]" 1
69 1 76 VAL H 1 77 VAL H . . 3.000 2.788 2.685 2.955 . 0 0 "[ . 1 . 2]" 1
70 1 76 VAL H 1 78 GLU H . . 5.000 4.239 4.014 4.578 . 0 0 "[ . 1 . 2]" 1
71 1 77 VAL H 1 78 GLU H . . 3.000 2.737 2.589 2.886 . 0 0 "[ . 1 . 2]" 1
72 1 77 VAL H 1 79 GLN H . . 5.000 4.056 3.833 4.383 . 0 0 "[ . 1 . 2]" 1
73 1 78 GLU H 1 79 GLN H . . 5.000 2.577 2.370 3.048 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 123
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 167.992
_Distance_constraint_stats_list.Viol_max 0.500
_Distance_constraint_stats_list.Viol_rms 0.0307
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.1448
_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 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.039 0.027 14 0 "[ . 1 . 2]"
1 23 PHE 2.844 0.427 18 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.034 0.015 10 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.313 0.313 2 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.125 0.125 2 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 1.108 0.386 18 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.559 0.289 19 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.105 0.028 7 0 "[ . 1 . 2]"
1 42 VAL 0.040 0.016 8 0 "[ . 1 . 2]"
1 43 THR 0.695 0.326 19 0 "[ . 1 . 2]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.090 0.065 9 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.023 0.023 8 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 1.691 0.500 6 1 "[ .+ 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.249 0.249 17 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.500 0.500 6 1 "[ .+ 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.475 0.264 4 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 2.518 0.331 1 0 "[ . 1 . 2]"
1 76 VAL 0.906 0.427 18 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLN 3.864 0.331 1 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.013 0.013 17 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.383 0.383 10 0 "[ . 1 . 2]"
1 88 SER 0.001 0.001 11 0 "[ . 1 . 2]"
1 89 ARG 0.225 0.225 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 LEU H 1 23 PHE CB . 4.000 14.000 9.575 4.990 12.731 . 0 0 "[ . 1 . 2]" 2
2 1 18 LEU H 1 79 GLN CB . 7.000 17.000 11.333 7.813 14.801 . 0 0 "[ . 1 . 2]" 2
3 1 19 GLY H 1 23 PHE CB . 4.000 14.000 9.122 4.019 12.435 . 0 0 "[ . 1 . 2]" 2
4 1 19 GLY H 1 79 GLN CB . 4.000 14.000 9.893 6.221 12.641 . 0 0 "[ . 1 . 2]" 2
5 1 20 LEU H 1 23 PHE CB . 4.000 14.000 8.865 6.628 11.719 . 0 0 "[ . 1 . 2]" 2
6 1 20 LEU H 1 79 GLN CB . 4.000 11.000 9.528 7.175 11.027 0.027 14 0 "[ . 1 . 2]" 2
7 1 23 PHE CB 1 24 SER H . . 7.000 3.700 2.769 4.036 . 0 0 "[ . 1 . 2]" 2
8 1 23 PHE CB 1 26 LEU H . . 11.000 7.060 4.537 9.526 . 0 0 "[ . 1 . 2]" 2
9 1 23 PHE CB 1 27 LEU H . . 14.000 9.074 3.373 11.996 . 0 0 "[ . 1 . 2]" 2
10 1 23 PHE CB 1 28 ALA H . 4.000 14.000 10.205 6.096 12.103 . 0 0 "[ . 1 . 2]" 2
11 1 23 PHE CB 1 29 LEU H . 7.000 14.000 10.567 7.361 12.367 . 0 0 "[ . 1 . 2]" 2
12 1 23 PHE CB 1 30 ALA H . 7.000 17.000 12.705 7.879 14.853 . 0 0 "[ . 1 . 2]" 2
13 1 23 PHE CB 1 31 LEU H . 9.000 17.000 14.382 9.899 16.644 . 0 0 "[ . 1 . 2]" 2
14 1 23 PHE CB 1 32 VAL H . 7.000 17.000 14.741 11.597 16.804 . 0 0 "[ . 1 . 2]" 2
15 1 23 PHE CB 1 33 VAL H . 11.000 21.000 15.709 12.505 18.104 . 0 0 "[ . 1 . 2]" 2
16 1 23 PHE CB 1 34 LEU H . 11.000 21.000 17.828 13.589 20.145 . 0 0 "[ . 1 . 2]" 2
17 1 23 PHE CB 1 35 ALA H . 14.000 21.000 19.168 15.612 21.386 0.386 18 0 "[ . 1 . 2]" 2
18 1 23 PHE CB 1 36 ILE H . 14.000 25.000 19.865 17.215 22.239 . 0 0 "[ . 1 . 2]" 2
19 1 23 PHE CB 1 37 VAL H . 17.000 25.000 21.393 18.021 24.028 . 0 0 "[ . 1 . 2]" 2
20 1 23 PHE CB 1 69 ALA H . 17.000 25.000 21.112 17.927 24.270 . 0 0 "[ . 1 . 2]" 2
21 1 23 PHE CB 1 70 VAL H . 17.000 25.000 21.579 18.844 24.450 . 0 0 "[ . 1 . 2]" 2
22 1 23 PHE CB 1 71 TYR H . 17.000 25.000 21.653 19.114 23.472 . 0 0 "[ . 1 . 2]" 2
23 1 23 PHE CB 1 72 PHE H . 14.000 21.000 19.342 16.646 21.264 0.264 4 0 "[ . 1 . 2]" 2
24 1 23 PHE CB 1 73 LEU H . 14.000 21.000 17.943 15.224 20.566 . 0 0 "[ . 1 . 2]" 2
25 1 23 PHE CB 1 74 SER H . 14.000 21.000 19.078 17.068 20.542 . 0 0 "[ . 1 . 2]" 2
26 1 23 PHE CB 1 75 VAL H . 14.000 21.000 18.603 16.695 20.034 . 0 0 "[ . 1 . 2]" 2
27 1 23 PHE CB 1 76 VAL H . 11.000 17.000 16.183 14.232 17.427 0.427 18 0 "[ . 1 . 2]" 2
28 1 23 PHE CB 1 77 VAL H . 11.000 21.000 16.312 13.561 18.323 . 0 0 "[ . 1 . 2]" 2
29 1 23 PHE CB 1 78 GLU H . 14.000 21.000 17.616 15.097 19.645 . 0 0 "[ . 1 . 2]" 2
30 1 23 PHE H 1 79 GLN CB . 9.000 21.000 14.440 10.394 17.529 . 0 0 "[ . 1 . 2]" 2
31 1 23 PHE CB 1 79 GLN H . 11.000 21.000 16.321 13.722 18.080 . 0 0 "[ . 1 . 2]" 2
32 1 23 PHE CB 1 80 LEU H . 11.000 21.000 15.599 12.562 17.885 . 0 0 "[ . 1 . 2]" 2
33 1 23 PHE CB 1 81 GLU H . 11.000 21.000 14.733 12.560 18.083 . 0 0 "[ . 1 . 2]" 2
34 1 23 PHE CB 1 82 GLU H . 9.000 21.000 14.453 10.419 17.787 . 0 0 "[ . 1 . 2]" 2
35 1 23 PHE CB 1 83 SER H . 11.000 25.000 16.112 12.593 21.939 . 0 0 "[ . 1 . 2]" 2
36 1 23 PHE CB 1 84 ARG H . 11.000 25.000 18.230 13.757 24.212 . 0 0 "[ . 1 . 2]" 2
37 1 23 PHE CB 1 85 GLN H . 11.000 25.000 18.732 13.920 23.437 . 0 0 "[ . 1 . 2]" 2
38 1 23 PHE CB 1 86 ARG H . 11.000 25.000 19.486 11.127 24.291 . 0 0 "[ . 1 . 2]" 2
39 1 23 PHE CB 1 87 LEU H . 11.000 25.000 20.057 13.631 25.383 0.383 10 0 "[ . 1 . 2]" 2
40 1 24 SER H 1 79 GLN CB . 9.000 17.000 12.228 9.544 14.886 . 0 0 "[ . 1 . 2]" 2
41 1 26 LEU H 1 79 GLN CB . 4.000 11.000 9.645 7.779 11.015 0.015 10 0 "[ . 1 . 2]" 2
42 1 27 LEU H 1 79 GLN CB . . 11.000 8.198 6.188 10.007 . 0 0 "[ . 1 . 2]" 2
43 1 28 ALA H 1 79 GLN CB . . 9.000 6.988 5.297 8.718 . 0 0 "[ . 1 . 2]" 2
44 1 29 LEU H 1 79 GLN CB . 4.000 11.000 9.404 7.436 11.313 0.313 2 0 "[ . 1 . 2]" 2
45 1 30 ALA H 1 79 GLN CB . 4.000 14.000 9.704 6.908 12.082 . 0 0 "[ . 1 . 2]" 2
46 1 31 LEU H 1 52 SER CB . 17.000 25.000 23.481 21.691 25.125 0.125 2 0 "[ . 1 . 2]" 2
47 1 31 LEU H 1 79 GLN CB . . 11.000 8.755 6.460 10.853 . 0 0 "[ . 1 . 2]" 2
48 1 32 VAL H 1 52 SER CB . 17.000 25.000 21.316 19.417 22.938 . 0 0 "[ . 1 . 2]" 2
49 1 32 VAL H 1 79 GLN CB . 7.000 14.000 10.260 8.643 11.928 . 0 0 "[ . 1 . 2]" 2
50 1 33 VAL H 1 52 SER CB . 17.000 25.000 20.234 18.672 21.630 . 0 0 "[ . 1 . 2]" 2
51 1 33 VAL H 1 79 GLN CB . 9.000 17.000 12.677 10.716 14.612 . 0 0 "[ . 1 . 2]" 2
52 1 34 LEU H 1 52 SER CB . 17.000 25.000 20.156 18.658 21.589 . 0 0 "[ . 1 . 2]" 2
53 1 34 LEU H 1 79 GLN CB . 9.000 17.000 12.885 10.760 14.974 . 0 0 "[ . 1 . 2]" 2
54 1 35 ALA H 1 52 SER CB . 14.000 21.000 18.351 16.746 19.973 . 0 0 "[ . 1 . 2]" 2
55 1 35 ALA H 1 79 GLN CB . 7.000 17.000 13.089 11.571 14.656 . 0 0 "[ . 1 . 2]" 2
56 1 36 ILE H 1 52 SER CB . 14.000 21.000 16.060 14.498 17.520 . 0 0 "[ . 1 . 2]" 2
57 1 36 ILE H 1 79 GLN CB . 11.000 17.000 15.417 13.919 16.898 . 0 0 "[ . 1 . 2]" 2
58 1 37 VAL H 1 52 SER CB . 11.000 17.000 16.100 14.155 17.289 0.289 19 0 "[ . 1 . 2]" 2
59 1 37 VAL H 1 79 GLN CB . 14.000 21.000 17.094 15.309 18.911 . 0 0 "[ . 1 . 2]" 2
60 1 38 VAL H 1 52 SER CB . 14.000 21.000 16.032 14.506 17.473 . 0 0 "[ . 1 . 2]" 2
61 1 38 VAL H 1 79 GLN CB . 14.000 21.000 17.320 15.733 18.957 . 0 0 "[ . 1 . 2]" 2
62 1 39 GLN H 1 52 SER CB . 11.000 17.000 13.611 12.631 15.222 . 0 0 "[ . 1 . 2]" 2
63 1 39 GLN H 1 79 GLN CB . 14.000 21.000 18.488 17.326 19.689 . 0 0 "[ . 1 . 2]" 2
64 1 40 MET H 1 52 SER CB . 7.000 14.000 12.134 10.305 13.136 . 0 0 "[ . 1 . 2]" 2
65 1 40 MET H 1 79 GLN CB . 17.000 25.000 20.773 19.463 22.150 . 0 0 "[ . 1 . 2]" 2
66 1 41 ALA H 1 52 SER CB . 7.000 14.000 13.352 11.154 14.028 0.028 7 0 "[ . 1 . 2]" 2
67 1 41 ALA H 1 79 GLN CB . 17.000 25.000 21.957 20.372 23.469 . 0 0 "[ . 1 . 2]" 2
68 1 42 VAL H 1 52 SER CB . 7.000 14.000 12.943 11.413 14.016 0.016 8 0 "[ . 1 . 2]" 2
69 1 42 VAL H 1 79 GLN CB . 17.000 25.000 22.498 21.133 23.886 . 0 0 "[ . 1 . 2]" 2
70 1 43 THR H 1 52 SER CB . 7.000 14.000 10.370 8.665 11.730 . 0 0 "[ . 1 . 2]" 2
71 1 43 THR H 1 79 GLN CB . 17.000 25.000 24.197 23.051 25.326 0.326 19 0 "[ . 1 . 2]" 2
72 1 44 MET H 1 52 SER CB . 7.000 14.000 10.765 8.693 12.233 . 0 0 "[ . 1 . 2]" 2
73 1 45 VAL H 1 52 SER CB . 7.000 14.000 12.625 10.863 14.065 0.065 9 0 "[ . 1 . 2]" 2
74 1 46 LEU H 1 52 SER CB . 7.000 14.000 11.731 9.609 13.487 . 0 0 "[ . 1 . 2]" 2
75 1 47 HIS H 1 52 SER CB . 7.000 14.000 11.880 9.897 13.967 . 0 0 "[ . 1 . 2]" 2
76 1 48 GLY H 1 52 SER CB . 4.000 11.000 9.813 8.412 11.023 0.023 8 0 "[ . 1 . 2]" 2
77 1 49 GLN H 1 52 SER CB . 4.000 14.000 9.449 6.885 11.647 . 0 0 "[ . 1 . 2]" 2
78 1 50 VAL H 1 52 SER CB . . 11.000 7.617 5.237 9.753 . 0 0 "[ . 1 . 2]" 2
79 1 51 GLU H 1 52 SER CB . . 7.000 5.424 4.371 6.313 . 0 0 "[ . 1 . 2]" 2
80 1 52 SER CB 1 53 ILE H . . 7.000 3.556 2.420 4.019 . 0 0 "[ . 1 . 2]" 2
81 1 52 SER CB 1 54 ASP H . . 9.000 5.082 3.049 7.370 . 0 0 "[ . 1 . 2]" 2
82 1 52 SER CB 1 55 VAL H . 4.000 11.000 6.218 4.215 10.271 . 0 0 "[ . 1 . 2]" 2
83 1 52 SER CB 1 56 ILE H . . 9.000 6.412 3.591 9.249 0.249 17 0 "[ . 1 . 2]" 2
84 1 52 SER CB 1 57 ARG H . . 11.000 6.684 3.833 10.731 . 0 0 "[ . 1 . 2]" 2
85 1 52 SER CB 1 58 SER H . . 11.000 7.782 5.797 9.928 . 0 0 "[ . 1 . 2]" 2
86 1 52 SER CB 1 59 ILE H . . 11.000 10.063 6.161 10.957 . 0 0 "[ . 1 . 2]" 2
87 1 52 SER CB 1 60 PHE H . 7.000 14.000 10.045 8.373 13.459 . 0 0 "[ . 1 . 2]" 2
88 1 52 SER CB 1 61 PHE H . 7.000 14.000 9.735 8.134 13.364 . 0 0 "[ . 1 . 2]" 2
89 1 52 SER CB 1 62 GLY H . 9.000 17.000 12.246 10.743 14.642 . 0 0 "[ . 1 . 2]" 2
90 1 52 SER CB 1 63 LEU H . 9.000 17.000 13.536 10.136 17.500 0.500 6 1 "[ .+ 1 . 2]" 2
91 1 52 SER CB 1 64 LEU H . 9.000 21.000 13.309 10.277 18.125 . 0 0 "[ . 1 . 2]" 2
92 1 52 SER CB 1 65 ILE H . 11.000 21.000 15.038 12.430 18.208 . 0 0 "[ . 1 . 2]" 2
93 1 52 SER CB 1 66 THR H . 11.000 21.000 17.293 14.071 20.718 . 0 0 "[ . 1 . 2]" 2
94 1 52 SER CB 1 68 TRP H . 14.000 25.000 17.769 14.879 21.975 . 0 0 "[ . 1 . 2]" 2
95 1 52 SER CB 1 69 ALA H . 14.000 25.000 19.371 16.855 22.090 . 0 0 "[ . 1 . 2]" 2
96 1 52 SER CB 1 70 VAL H . 17.000 25.000 21.676 18.931 24.792 . 0 0 "[ . 1 . 2]" 2
97 1 52 SER CB 1 72 PHE H . 17.000 25.000 21.891 19.597 24.945 . 0 0 "[ . 1 . 2]" 2
98 1 62 GLY H 1 79 GLN CB . 17.000 25.000 24.063 24.022 24.100 . 0 0 "[ . 1 . 2]" 2
99 1 63 LEU H 1 79 GLN CB . 17.000 25.000 23.908 23.655 24.163 . 0 0 "[ . 1 . 2]" 2
100 1 64 LEU H 1 79 GLN CB . 17.000 25.000 21.886 21.340 22.474 . 0 0 "[ . 1 . 2]" 2
101 1 65 ILE H 1 79 GLN CB . 14.000 21.000 19.950 19.625 20.360 . 0 0 "[ . 1 . 2]" 2
102 1 66 THR H 1 79 GLN CB . 14.000 21.000 19.408 19.015 19.680 . 0 0 "[ . 1 . 2]" 2
103 1 68 TRP H 1 79 GLN CB . 14.000 17.000 16.264 15.685 16.807 . 0 0 "[ . 1 . 2]" 2
104 1 69 ALA H 1 79 GLN CB . 11.000 17.000 14.975 14.575 15.276 . 0 0 "[ . 1 . 2]" 2
105 1 70 VAL H 1 79 GLN CB . 11.000 17.000 14.333 13.947 14.630 . 0 0 "[ . 1 . 2]" 2
106 1 71 TYR H 1 79 GLN CB . 7.000 14.000 12.675 12.038 13.167 . 0 0 "[ . 1 . 2]" 2
107 1 72 PHE H 1 79 GLN CB . . 11.000 10.640 10.093 11.024 0.024 4 0 "[ . 1 . 2]" 2
108 1 73 LEU H 1 79 GLN CB . 4.000 11.000 9.918 9.634 10.325 . 0 0 "[ . 1 . 2]" 2
109 1 74 SER H 1 79 GLN CB . 4.000 11.000 9.251 8.893 9.485 . 0 0 "[ . 1 . 2]" 2
110 1 75 VAL H 1 79 GLN CB . . 7.000 7.068 6.420 7.331 0.331 1 0 "[ . 1 . 2]" 2
111 1 76 VAL H 1 79 GLN CB . . 7.000 5.339 4.957 5.730 . 0 0 "[ . 1 . 2]" 2
112 1 77 VAL H 1 79 GLN CB . . 7.000 5.762 5.372 6.172 . 0 0 "[ . 1 . 2]" 2
113 1 78 GLU H 1 79 GLN CB . . 7.000 4.984 4.754 5.216 . 0 0 "[ . 1 . 2]" 2
114 1 79 GLN CB 1 80 LEU H . . 7.000 3.398 2.550 4.026 . 0 0 "[ . 1 . 2]" 2
115 1 79 GLN CB 1 81 GLU H . . 7.000 5.240 3.587 7.013 0.013 17 0 "[ . 1 . 2]" 2
116 1 79 GLN CB 1 82 GLU H . . 9.000 6.594 4.518 8.674 . 0 0 "[ . 1 . 2]" 2
117 1 79 GLN CB 1 83 SER H . . 11.000 7.988 5.496 10.578 . 0 0 "[ . 1 . 2]" 2
118 1 79 GLN CB 1 84 ARG H . 4.000 14.000 9.664 5.937 12.063 . 0 0 "[ . 1 . 2]" 2
119 1 79 GLN CB 1 85 GLN H . . 11.000 8.762 6.582 10.965 . 0 0 "[ . 1 . 2]" 2
120 1 79 GLN CB 1 86 ARG H . . 11.000 8.513 5.717 10.842 . 0 0 "[ . 1 . 2]" 2
121 1 79 GLN CB 1 87 LEU H . . 11.000 7.825 4.588 10.202 . 0 0 "[ . 1 . 2]" 2
122 1 79 GLN CB 1 88 SER H . . 11.000 8.808 5.295 11.001 0.001 11 0 "[ . 1 . 2]" 2
123 1 79 GLN CB 1 89 ARG H . 4.000 14.000 9.276 3.775 12.137 0.225 5 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 80
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 LEU H 1 52 SER CB . 19.000 . 32.272 20.201 37.446 . 0 0 "[ . 1 . 2]" 3
2 1 19 GLY H 1 52 SER CB . 21.000 . 31.875 24.099 35.795 . 0 0 "[ . 1 . 2]" 3
3 1 20 LEU H 1 52 SER CB . 25.000 . 32.729 25.695 36.475 . 0 0 "[ . 1 . 2]" 3
4 1 23 PHE CB 1 38 VAL H . 17.000 . 23.306 19.404 25.683 . 0 0 "[ . 1 . 2]" 3
5 1 23 PHE CB 1 39 GLN H . 17.000 . 24.403 21.286 26.826 . 0 0 "[ . 1 . 2]" 3
6 1 23 PHE CB 1 40 MET H . 21.000 . 25.411 22.607 27.961 . 0 0 "[ . 1 . 2]" 3
7 1 23 PHE CB 1 41 ALA H . 21.000 . 27.155 23.587 29.738 . 0 0 "[ . 1 . 2]" 3
8 1 23 PHE CB 1 42 VAL H . 19.000 . 28.849 25.234 31.368 . 0 0 "[ . 1 . 2]" 3
9 1 23 PHE CB 1 43 THR H . 25.000 . 29.855 26.884 32.485 . 0 0 "[ . 1 . 2]" 3
10 1 23 PHE CB 1 44 MET H . 25.000 . 31.158 28.117 33.914 . 0 0 "[ . 1 . 2]" 3
11 1 23 PHE CB 1 45 VAL H . 25.000 . 32.997 29.379 35.692 . 0 0 "[ . 1 . 2]" 3
12 1 23 PHE CB 1 46 LEU H . 25.000 . 34.329 31.226 37.018 . 0 0 "[ . 1 . 2]" 3
13 1 23 PHE CB 1 47 HIS H . 25.000 . 37.583 34.811 40.707 . 0 0 "[ . 1 . 2]" 3
14 1 23 PHE CB 1 48 GLY H . 25.000 . 37.687 32.530 42.814 . 0 0 "[ . 1 . 2]" 3
15 1 23 PHE CB 1 49 GLN H . 25.000 . 38.274 32.241 44.371 . 0 0 "[ . 1 . 2]" 3
16 1 23 PHE CB 1 50 VAL H . 25.000 . 37.014 29.246 43.609 . 0 0 "[ . 1 . 2]" 3
17 1 23 PHE CB 1 51 GLU H . 25.000 . 35.409 27.749 41.066 . 0 0 "[ . 1 . 2]" 3
18 1 23 PHE H 1 52 SER CB . 25.000 . 33.283 26.292 37.344 . 0 0 "[ . 1 . 2]" 3
19 1 23 PHE CB 1 52 SER H . 25.000 . 34.094 27.554 39.124 . 0 0 "[ . 1 . 2]" 3
20 1 23 PHE CB 1 53 ILE H . 25.000 . 34.531 27.564 39.853 . 0 0 "[ . 1 . 2]" 3
21 1 23 PHE CB 1 54 ASP H . 25.000 . 35.550 27.132 42.633 . 0 0 "[ . 1 . 2]" 3
22 1 23 PHE CB 1 55 VAL H . 25.000 . 35.378 26.844 42.736 . 0 0 "[ . 1 . 2]" 3
23 1 23 PHE CB 1 56 ILE H . 25.000 . 34.952 28.691 39.416 . 0 0 "[ . 1 . 2]" 3
24 1 23 PHE CB 1 57 ARG H . 25.000 . 33.332 27.972 37.546 . 0 0 "[ . 1 . 2]" 3
25 1 23 PHE CB 1 58 SER H . 25.000 . 31.251 26.557 35.169 . 0 0 "[ . 1 . 2]" 3
26 1 23 PHE CB 1 59 ILE H . 25.000 . 29.964 26.010 33.643 . 0 0 "[ . 1 . 2]" 3
27 1 23 PHE CB 1 60 PHE H . 25.000 . 30.361 26.569 33.794 . 0 0 "[ . 1 . 2]" 3
28 1 23 PHE CB 1 61 PHE H . 21.000 . 28.146 24.049 31.866 . 0 0 "[ . 1 . 2]" 3
29 1 23 PHE CB 1 62 GLY H . 21.000 . 26.480 22.711 30.392 . 0 0 "[ . 1 . 2]" 3
30 1 23 PHE CB 1 63 LEU H . 21.000 . 27.512 23.955 31.124 . 0 0 "[ . 1 . 2]" 3
31 1 23 PHE CB 1 64 LEU H . 21.000 . 26.600 23.110 29.754 . 0 0 "[ . 1 . 2]" 3
32 1 23 PHE CB 1 65 ILE H . 17.000 . 24.331 20.755 27.634 . 0 0 "[ . 1 . 2]" 3
33 1 23 PHE CB 1 66 THR H . 17.000 . 24.605 21.321 28.211 . 0 0 "[ . 1 . 2]" 3
34 1 23 PHE CB 1 68 TRP H . 19.000 . 23.212 20.107 25.681 . 0 0 "[ . 1 . 2]" 3
35 1 23 PHE CB 1 88 SER H . 14.000 . 20.843 14.826 27.284 . 0 0 "[ . 1 . 2]" 3
36 1 23 PHE CB 1 89 ARG H . 11.000 . 21.109 12.318 27.263 . 0 0 "[ . 1 . 2]" 3
37 1 24 SER H 1 52 SER CB . 25.000 . 32.104 28.114 35.769 . 0 0 "[ . 1 . 2]" 3
38 1 25 MET H 1 52 SER CB . 25.000 . 30.847 27.714 33.764 . 0 0 "[ . 1 . 2]" 3
39 1 25 MET H 1 79 GLN CB . 4.000 . 9.319 5.392 12.063 . 0 0 "[ . 1 . 2]" 3
40 1 26 LEU H 1 52 SER CB . 25.000 . 30.471 28.544 32.651 . 0 0 "[ . 1 . 2]" 3
41 1 27 LEU H 1 52 SER CB . 25.000 . 29.614 27.661 31.301 . 0 0 "[ . 1 . 2]" 3
42 1 28 ALA H 1 52 SER CB . 21.000 . 27.306 25.066 28.946 . 0 0 "[ . 1 . 2]" 3
43 1 29 LEU H 1 52 SER CB . 21.000 . 25.308 23.275 26.951 . 0 0 "[ . 1 . 2]" 3
44 1 30 ALA H 1 52 SER CB . 21.000 . 24.820 23.178 26.333 . 0 0 "[ . 1 . 2]" 3
45 1 44 MET H 1 79 GLN CB . 21.000 . 26.156 24.782 27.404 . 0 0 "[ . 1 . 2]" 3
46 1 45 VAL H 1 79 GLN CB . 21.000 . 27.132 25.549 28.487 . 0 0 "[ . 1 . 2]" 3
47 1 46 LEU H 1 79 GLN CB . 21.000 . 28.031 26.838 29.242 . 0 0 "[ . 1 . 2]" 3
48 1 47 HIS H 1 79 GLN CB . 25.000 . 31.453 28.912 32.972 . 0 0 "[ . 1 . 2]" 3
49 1 48 GLY H 1 79 GLN CB . 25.000 . 32.526 29.613 35.953 . 0 0 "[ . 1 . 2]" 3
50 1 49 GLN H 1 79 GLN CB . 25.000 . 33.624 30.133 37.074 . 0 0 "[ . 1 . 2]" 3
51 1 50 VAL H 1 79 GLN CB . 25.000 . 32.981 27.687 37.393 . 0 0 "[ . 1 . 2]" 3
52 1 51 GLU H 1 79 GLN CB . 25.000 . 31.979 27.310 35.495 . 0 0 "[ . 1 . 2]" 3
53 1 52 SER CB 1 71 TYR H . 19.000 . 22.005 19.294 25.869 . 0 0 "[ . 1 . 2]" 3
54 1 52 SER CB 1 73 LEU H . 19.000 . 24.026 21.874 26.684 . 0 0 "[ . 1 . 2]" 3
55 1 52 SER CB 1 74 SER H . 21.000 . 26.038 23.736 28.753 . 0 0 "[ . 1 . 2]" 3
56 1 52 SER CB 1 75 VAL H . 21.000 . 26.109 24.031 29.122 . 0 0 "[ . 1 . 2]" 3
57 1 52 SER CB 1 76 VAL H . 21.000 . 26.760 24.898 29.461 . 0 0 "[ . 1 . 2]" 3
58 1 52 SER CB 1 77 VAL H . 25.000 . 29.185 27.215 31.933 . 0 0 "[ . 1 . 2]" 3
59 1 52 SER CB 1 78 GLU H . 25.000 . 30.528 28.656 32.883 . 0 0 "[ . 1 . 2]" 3
60 1 52 SER H 1 79 GLN CB . 25.000 . 30.776 28.275 34.444 . 0 0 "[ . 1 . 2]" 3
61 1 52 SER CB 1 79 GLN H . 25.000 . 30.519 28.726 33.024 . 0 0 "[ . 1 . 2]" 3
62 1 52 SER CB 1 80 LEU H . 25.000 . 32.682 30.603 34.115 . 0 0 "[ . 1 . 2]" 3
63 1 52 SER CB 1 81 GLU H . 25.000 . 34.044 31.978 36.687 . 0 0 "[ . 1 . 2]" 3
64 1 52 SER CB 1 82 GLU H . 25.000 . 33.968 29.687 37.134 . 0 0 "[ . 1 . 2]" 3
65 1 52 SER CB 1 83 SER H . 25.000 . 33.972 25.741 38.696 . 0 0 "[ . 1 . 2]" 3
66 1 52 SER CB 1 84 ARG H . 25.000 . 34.317 25.577 40.405 . 0 0 "[ . 1 . 2]" 3
67 1 52 SER CB 1 85 GLN H . 25.000 . 32.703 26.297 38.616 . 0 0 "[ . 1 . 2]" 3
68 1 52 SER CB 1 86 ARG H . 25.000 . 31.998 25.762 39.149 . 0 0 "[ . 1 . 2]" 3
69 1 52 SER CB 1 87 LEU H . 25.000 . 31.190 25.995 38.101 . 0 0 "[ . 1 . 2]" 3
70 1 52 SER CB 1 88 SER H . 25.000 . 30.575 25.182 37.903 . 0 0 "[ . 1 . 2]" 3
71 1 52 SER CB 1 89 ARG H . 21.000 . 29.407 23.521 37.294 . 0 0 "[ . 1 . 2]" 3
72 1 53 ILE H 1 79 GLN CB . 25.000 . 31.373 27.805 34.782 . 0 0 "[ . 1 . 2]" 3
73 1 54 ASP H 1 79 GLN CB . 25.000 . 32.557 28.086 35.714 . 0 0 "[ . 1 . 2]" 3
74 1 55 VAL H 1 79 GLN CB . 25.000 . 32.455 27.711 36.510 . 0 0 "[ . 1 . 2]" 3
75 1 56 ILE H 1 79 GLN CB . 25.000 . 32.181 26.761 35.067 . 0 0 "[ . 1 . 2]" 3
76 1 57 ARG H 1 79 GLN CB . 25.000 . 30.617 29.116 32.173 . 0 0 "[ . 1 . 2]" 3
77 1 58 SER H 1 79 GLN CB . 25.000 . 29.781 28.844 30.574 . 0 0 "[ . 1 . 2]" 3
78 1 59 ILE H 1 79 GLN CB . 25.000 . 28.916 28.595 29.313 . 0 0 "[ . 1 . 2]" 3
79 1 60 PHE H 1 79 GLN CB . 25.000 . 28.082 27.673 28.490 . 0 0 "[ . 1 . 2]" 3
80 1 61 PHE H 1 79 GLN CB . 21.000 . 25.398 24.884 25.877 . 0 0 "[ . 1 . 2]" 3
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