NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374886 |
1eot   |
4155 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eot
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 130
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 0.161
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0052
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0147
_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 9 CYS 0.021 0.015 1 0 "[ ]"
1 10 CYS 0.000 0.000 . 0 "[ ]"
1 11 PHE 0.000 0.000 . 0 "[ ]"
1 13 LEU 0.019 0.019 1 0 "[ ]"
1 14 ALA 0.000 0.000 . 0 "[ ]"
1 15 ASN 0.020 0.017 1 0 "[ ]"
1 17 LYS 0.007 0.007 1 0 "[ ]"
1 18 ILE 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 22 ARG 0.000 0.000 . 0 "[ ]"
1 23 LEU 0.036 0.036 1 0 "[ ]"
1 24 GLU 0.007 0.007 1 0 "[ ]"
1 25 SER 0.016 0.016 1 0 "[ ]"
1 26 TYR 0.000 0.000 . 0 "[ ]"
1 27 ARG 0.033 0.033 1 0 "[ ]"
1 28 ARG 0.000 0.000 . 0 "[ ]"
1 29 ILE 0.000 0.000 . 0 "[ ]"
1 30 THR 0.002 0.002 1 0 "[ ]"
1 34 CYS 0.006 0.006 1 0 "[ ]"
1 35 PRO 0.015 0.015 1 0 "[ ]"
1 36 GLN 0.000 0.000 . 0 "[ ]"
1 37 LYS 0.002 0.002 1 0 "[ ]"
1 38 ALA 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 ILE 0.000 0.000 . 0 "[ ]"
1 41 PHE 0.049 0.033 1 0 "[ ]"
1 42 LYS 0.000 0.000 . 0 "[ ]"
1 43 THR 0.043 0.036 1 0 "[ ]"
1 44 LYS 0.000 0.000 . 0 "[ ]"
1 47 LYS 0.000 0.000 . 0 "[ ]"
1 48 ASP 0.000 0.000 . 0 "[ ]"
1 49 ILE 0.000 0.000 . 0 "[ ]"
1 50 CYS 0.000 0.000 . 0 "[ ]"
1 51 ALA 0.019 0.019 1 0 "[ ]"
1 52 ASP 0.000 0.000 . 0 "[ ]"
1 53 PRO 0.000 0.000 . 0 "[ ]"
1 57 TRP 0.027 0.017 1 0 "[ ]"
1 58 VAL 0.000 0.000 . 0 "[ ]"
1 61 SER 0.000 0.000 . 0 "[ ]"
1 62 MET 0.000 0.000 . 0 "[ ]"
1 64 TYR 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.000 0.000 . 0 "[ ]"
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 9 CYS HB2 1 34 CYS HB3 3.500 . 4.500 4.506 4.506 4.506 0.006 1 0 "[ ]" 1
2 1 9 CYS HA 1 35 PRO HD2 4.500 . 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 1
3 1 9 CYS HA 1 34 CYS HB3 4.500 . 5.500 4.193 4.193 4.193 . 0 0 "[ ]" 1
4 1 9 CYS HB3 1 38 ALA MB 4.500 . 6.000 4.929 4.929 4.929 . 0 0 "[ ]" 1
5 1 10 CYS QB 1 50 CYS HB2 3.500 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
6 1 10 CYS QB 1 38 ALA MB 3.000 . 4.500 2.214 2.214 2.214 . 0 0 "[ ]" 1
7 1 13 LEU MD2 1 50 CYS HB3 3.500 . 5.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
8 1 11 PHE HZ 1 36 GLN QG 3.500 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
9 1 13 LEU HA 1 51 ALA HA 3.000 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
10 1 13 LEU MD2 1 52 ASP HA 3.500 . 4.500 2.197 2.197 2.197 . 0 0 "[ ]" 1
11 1 13 LEU MD2 1 51 ALA HA 3.500 . 4.500 3.107 3.107 3.107 . 0 0 "[ ]" 1
12 1 13 LEU MD1 1 52 ASP HB3 3.500 . 4.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
13 1 13 LEU MD1 1 52 ASP HB2 3.500 . 4.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
14 1 13 LEU MD2 1 52 ASP HB3 4.500 . 5.500 3.573 3.573 3.573 . 0 0 "[ ]" 1
15 1 13 LEU MD2 1 52 ASP HB2 4.500 . 5.500 2.266 2.266 2.266 . 0 0 "[ ]" 1
16 1 17 LYS QB 1 57 TRP HB3 4.500 . 6.000 2.154 2.154 2.154 . 0 0 "[ ]" 1
17 1 17 LYS QB 1 57 TRP HB2 4.500 . 6.000 2.274 2.274 2.274 . 0 0 "[ ]" 1
18 1 17 LYS QD 1 57 TRP HB3 3.500 . 5.000 3.055 3.055 3.055 . 0 0 "[ ]" 1
19 1 17 LYS QD 1 57 TRP HB2 3.500 . 5.000 3.715 3.715 3.715 . 0 0 "[ ]" 1
20 1 18 ILE MD 1 49 ILE MG 3.000 . 4.500 2.767 2.767 2.767 . 0 0 "[ ]" 1
21 1 18 ILE MD 1 49 ILE HB 3.500 . 4.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
22 1 22 ARG HA 1 44 LYS H 3.500 . 4.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
23 1 22 ARG HB3 1 43 THR HB 4.500 . 5.000 3.419 3.419 3.419 . 0 0 "[ ]" 1
24 1 22 ARG HB2 1 43 THR HB 4.500 . 5.000 4.698 4.698 4.698 . 0 0 "[ ]" 1
25 1 23 LEU HA 1 43 THR HA 3.000 . 3.500 2.113 2.113 2.113 . 0 0 "[ ]" 1
26 1 23 LEU MD2 1 43 THR HA 3.000 . 4.000 3.007 3.007 3.007 . 0 0 "[ ]" 1
27 1 24 GLU H 1 43 THR HA 2.300 . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
28 1 25 SER H 1 42 LYS H 3.500 . 4.000 3.110 3.110 3.110 . 0 0 "[ ]" 1
29 1 25 SER H 1 41 PHE HA 4.500 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
30 1 26 TYR HA 1 41 PHE HA 2.300 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1
31 1 26 TYR HA 1 41 PHE HB3 5.500 2.800 6.000 4.760 4.760 4.760 . 0 0 "[ ]" 1
32 1 26 TYR HA 1 41 PHE HB2 5.500 2.800 6.000 5.370 5.370 5.370 . 0 0 "[ ]" 1
33 1 26 TYR HA 1 42 LYS H 3.000 . 3.500 3.065 3.065 3.065 . 0 0 "[ ]" 1
34 1 26 TYR HA 1 39 VAL MG1 4.500 . 5.500 4.312 4.312 4.312 . 0 0 "[ ]" 1
35 1 27 ARG H 1 40 ILE H 3.500 . 4.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
36 1 27 ARG H 1 41 PHE HA 3.000 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
37 1 28 ARG QB 1 39 VAL MG1 3.500 . 5.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
38 1 28 ARG HA 1 39 VAL HA 3.000 . 3.500 1.992 1.992 1.992 . 0 0 "[ ]" 1
39 1 28 ARG HA 1 40 ILE H 3.000 . 3.500 2.969 2.969 2.969 . 0 0 "[ ]" 1
40 1 29 ILE H 1 39 VAL HA 3.000 . 3.500 2.746 2.746 2.746 . 0 0 "[ ]" 1
41 1 29 ILE H 1 38 ALA H 3.500 . 4.000 3.261 3.261 3.261 . 0 0 "[ ]" 1
42 1 29 ILE HB 1 38 ALA H 3.000 . 3.500 2.087 2.087 2.087 . 0 0 "[ ]" 1
43 1 29 ILE MG 1 34 CYS HB3 4.500 . 5.500 3.861 3.861 3.861 . 0 0 "[ ]" 1
44 1 29 ILE MG 1 34 CYS HB2 4.500 . 5.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
45 1 9 CYS HA 1 29 ILE MG 4.500 . 5.500 3.568 3.568 3.568 . 0 0 "[ ]" 1
46 1 29 ILE MG 1 37 LYS HA 4.500 . 5.500 3.226 3.226 3.226 . 0 0 "[ ]" 1
47 1 9 CYS HA 1 29 ILE MD 3.500 . 4.500 2.962 2.962 2.962 . 0 0 "[ ]" 1
48 1 39 VAL MG1 1 51 ALA MB 4.000 . 5.000 3.062 3.062 3.062 . 0 0 "[ ]" 1
49 1 30 THR HA 1 37 LYS HA 3.000 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
50 1 39 VAL H 1 51 ALA H 3.500 . 4.000 3.317 3.317 3.317 . 0 0 "[ ]" 1
51 1 39 VAL H 1 53 PRO HD3 3.500 . 4.500 3.304 3.304 3.304 . 0 0 "[ ]" 1
52 1 39 VAL MG2 1 51 ALA H 5.500 . 6.500 5.166 5.166 5.166 . 0 0 "[ ]" 1
53 1 39 VAL MG1 1 41 PHE HZ 4.500 . 5.500 3.253 3.253 3.253 . 0 0 "[ ]" 1
54 1 39 VAL MG2 1 41 PHE HZ 4.500 . 5.500 4.469 4.469 4.469 . 0 0 "[ ]" 1
55 1 26 TYR HB3 1 39 VAL MG1 4.500 . 5.500 4.051 4.051 4.051 . 0 0 "[ ]" 1
56 1 26 TYR HB2 1 39 VAL MG1 3.000 . 3.500 2.750 2.750 2.750 . 0 0 "[ ]" 1
57 1 27 ARG H 1 39 VAL MG1 4.500 . 5.500 3.370 3.370 3.370 . 0 0 "[ ]" 1
58 1 40 ILE HA 1 51 ALA H 4.500 . 5.000 3.083 3.083 3.083 . 0 0 "[ ]" 1
59 1 40 ILE HA 1 50 CYS HA 2.300 . 2.800 2.548 2.548 2.548 . 0 0 "[ ]" 1
60 1 40 ILE MG 1 49 ILE H 2.300 . 3.300 2.465 2.465 2.465 . 0 0 "[ ]" 1
61 1 40 ILE MG 1 50 CYS HA 4.500 2.800 5.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
62 1 40 ILE MD 1 50 CYS HA 5.500 . 6.500 4.570 4.570 4.570 . 0 0 "[ ]" 1
63 1 40 ILE QG 1 50 CYS HA 5.500 . 7.000 2.976 2.976 2.976 . 0 0 "[ ]" 1
64 1 40 ILE MG 1 51 ALA H 4.500 . 5.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
65 1 40 ILE MG 1 48 ASP HA 3.500 . 4.500 3.669 3.669 3.669 . 0 0 "[ ]" 1
66 1 40 ILE MG 1 48 ASP HB3 3.000 . 3.500 2.304 2.304 2.304 . 0 0 "[ ]" 1
67 1 40 ILE MG 1 48 ASP HB2 3.500 . 4.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
68 1 41 PHE HA 1 49 ILE H 4.500 . 5.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
69 1 41 PHE H 1 50 CYS HA 3.500 . 4.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
70 1 41 PHE H 1 49 ILE H 3.500 . 4.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
71 1 23 LEU MD2 1 41 PHE HA 4.500 . 5.500 3.293 3.293 3.293 . 0 0 "[ ]" 1
72 1 26 TYR HB3 1 41 PHE HA 3.500 . 4.000 3.059 3.059 3.059 . 0 0 "[ ]" 1
73 1 26 TYR HB2 1 41 PHE HA 3.500 . 4.000 2.898 2.898 2.898 . 0 0 "[ ]" 1
74 1 41 PHE HZ 1 58 VAL HA 3.000 . 3.500 2.643 2.643 2.643 . 0 0 "[ ]" 1
75 1 41 PHE HZ 1 62 MET HA 3.500 . 4.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
76 1 41 PHE HB3 1 49 ILE H 4.500 . 5.000 4.778 4.778 4.778 . 0 0 "[ ]" 1
77 1 41 PHE HB2 1 49 ILE H 4.500 . 5.000 3.927 3.927 3.927 . 0 0 "[ ]" 1
78 1 42 LYS HA 1 48 ASP HA 3.000 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
79 1 42 LYS HA 1 49 ILE H 3.500 . 4.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
80 1 43 THR HG1 1 47 LYS H 3.500 . 5.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
81 1 23 LEU HA 1 43 THR HG1 3.500 . 4.500 3.375 3.375 3.375 . 0 0 "[ ]" 1
82 1 43 THR H 1 47 LYS H 3.500 . 4.000 3.420 3.420 3.420 . 0 0 "[ ]" 1
83 1 43 THR H 1 48 ASP HA 3.500 . 4.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
84 1 23 LEU HG 1 43 THR HA 3.500 . 4.000 4.036 4.036 4.036 0.036 1 0 "[ ]" 1
85 1 14 ALA H 1 51 ALA HA 3.000 . 3.500 2.529 2.529 2.529 . 0 0 "[ ]" 1
86 1 14 ALA MB 1 51 ALA HA 3.000 . 4.000 2.941 2.941 2.941 . 0 0 "[ ]" 1
87 1 53 PRO HA 1 58 VAL MG1 2.300 . 3.300 2.428 2.428 2.428 . 0 0 "[ ]" 1
88 1 17 LYS HB2 1 57 TRP HD1 3.500 . 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
89 1 17 LYS QD 1 57 TRP HD1 3.500 . 5.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
90 1 23 LEU MD1 1 57 TRP HZ3 5.000 . 6.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
91 1 17 LYS HA 1 57 TRP HZ3 4.500 . 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
92 1 18 ILE H 1 57 TRP HZ3 3.500 . 4.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
93 1 51 ALA MB 1 57 TRP HZ3 3.000 . 4.000 2.882 2.882 2.882 . 0 0 "[ ]" 1
94 1 18 ILE MD 1 57 TRP HZ3 3.000 . 4.000 2.159 2.159 2.159 . 0 0 "[ ]" 1
95 1 18 ILE QG 1 57 TRP HZ3 3.500 . 4.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
96 1 15 ASN HA 1 57 TRP HZ2 3.500 . 4.000 4.017 4.017 4.017 0.017 1 0 "[ ]" 1
97 1 14 ALA MB 1 57 TRP HZ2 3.000 . 4.000 2.616 2.616 2.616 . 0 0 "[ ]" 1
98 1 14 ALA MB 1 57 TRP HH2 3.000 . 4.000 2.091 2.091 2.091 . 0 0 "[ ]" 1
99 1 51 ALA MB 1 57 TRP HH2 3.000 . 4.000 2.068 2.068 2.068 . 0 0 "[ ]" 1
100 1 18 ILE MD 1 57 TRP HH2 3.000 . 4.000 3.147 3.147 3.147 . 0 0 "[ ]" 1
101 1 15 ASN HA 1 57 TRP HE1 3.500 . 4.000 4.003 4.003 4.003 0.003 1 0 "[ ]" 1
102 1 17 LYS HA 1 57 TRP HE1 3.500 . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
103 1 17 LYS QB 1 57 TRP HE1 4.500 . 6.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
104 1 18 ILE H 1 57 TRP HE3 4.500 . 5.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
105 1 51 ALA HA 1 58 VAL MG2 3.000 . 4.000 3.233 3.233 3.233 . 0 0 "[ ]" 1
106 1 51 ALA MB 1 58 VAL MG2 4.500 . 5.500 1.844 1.844 1.844 . 0 0 "[ ]" 1
107 1 51 ALA MB 1 58 VAL MG1 4.500 . 5.500 1.914 1.914 1.914 . 0 0 "[ ]" 1
108 1 41 PHE HZ 1 58 VAL MG1 3.000 . 3.500 1.971 1.971 1.971 . 0 0 "[ ]" 1
109 1 41 PHE HZ 1 58 VAL MG2 4.500 . 5.500 3.867 3.867 3.867 . 0 0 "[ ]" 1
110 1 52 ASP H 1 58 VAL MG2 3.500 . 4.500 2.444 2.444 2.444 . 0 0 "[ ]" 1
111 1 52 ASP H 1 58 VAL MG1 3.500 . 4.500 3.390 3.390 3.390 . 0 0 "[ ]" 1
112 1 20 LEU MD1 1 61 SER HA 4.500 . 5.500 4.460 4.460 4.460 . 0 0 "[ ]" 1
113 1 20 LEU MD2 1 61 SER HA 3.000 . 4.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
114 1 20 LEU MD2 1 61 SER HB3 4.000 . 5.000 4.096 4.096 4.096 . 0 0 "[ ]" 1
115 1 23 LEU MD1 1 61 SER HA 3.000 . 4.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
116 1 23 LEU MD1 1 61 SER HB3 3.000 . 4.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
117 1 41 PHE HZ 1 61 SER HB2 3.000 . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
118 1 41 PHE HZ 1 61 SER HB3 2.300 . 2.800 2.622 2.622 2.622 . 0 0 "[ ]" 1
119 1 41 PHE HZ 1 61 SER H 4.500 . 5.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
120 1 20 LEU MD2 1 64 TYR H 5.000 . 6.000 4.470 4.470 4.470 . 0 0 "[ ]" 1
121 1 20 LEU MD2 1 64 TYR QB 3.000 . 4.500 2.373 2.373 2.373 . 0 0 "[ ]" 1
122 1 20 LEU MD1 1 64 TYR QB 3.500 . 5.000 3.266 3.266 3.266 . 0 0 "[ ]" 1
123 1 26 TYR H 1 65 LEU MD2 4.500 . 5.500 4.169 4.169 4.169 . 0 0 "[ ]" 1
124 1 26 TYR H 1 65 LEU MD1 3.000 . 4.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
125 1 25 SER HA 1 65 LEU MD2 3.000 . 4.000 2.547 2.547 2.547 . 0 0 "[ ]" 1
126 1 25 SER HA 1 65 LEU MD1 3.000 . 4.000 2.326 2.326 2.326 . 0 0 "[ ]" 1
127 1 25 SER HA 1 65 LEU HB3 4.500 . 5.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
128 1 25 SER HA 1 65 LEU HB2 5.500 . 6.000 5.392 5.392 5.392 . 0 0 "[ ]" 1
129 1 26 TYR HB3 1 65 LEU MD1 4.000 . 5.000 1.898 1.898 1.898 . 0 0 "[ ]" 1
130 1 26 TYR HB2 1 65 LEU MD1 4.000 . 5.000 3.150 3.150 3.150 . 0 0 "[ ]" 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 40
_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 11 PHE 0.000 0.000 . 0 "[ ]"
1 18 ILE 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 23 LEU 0.000 0.000 . 0 "[ ]"
1 26 TYR 0.000 0.000 . 0 "[ ]"
1 35 PRO 0.000 0.000 . 0 "[ ]"
1 36 GLN 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 41 PHE 0.000 0.000 . 0 "[ ]"
1 51 ALA 0.000 0.000 . 0 "[ ]"
1 58 VAL 0.000 0.000 . 0 "[ ]"
1 61 SER 0.000 0.000 . 0 "[ ]"
1 62 MET 0.000 0.000 . 0 "[ ]"
1 64 TYR 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.000 0.000 . 0 "[ ]"
1 66 ASP 0.000 0.000 . 0 "[ ]"
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 11 PHE QD 1 36 GLN QG 3.000 . 4.500 3.578 3.578 3.578 . 0 0 "[ ]" 2
2 1 11 PHE QE 1 35 PRO QB 3.500 . 5.500 3.731 3.731 3.731 . 0 0 "[ ]" 2
3 1 11 PHE QE 1 36 GLN QG 3.500 . 5.000 2.470 2.470 2.470 . 0 0 "[ ]" 2
4 1 41 PHE QE 1 58 VAL MG1 2.300 . 3.800 1.925 1.925 1.925 . 0 0 "[ ]" 2
5 1 41 PHE QD 1 58 VAL MG2 3.500 . 5.000 3.420 3.420 3.420 . 0 0 "[ ]" 2
6 1 41 PHE QE 1 58 VAL MG2 2.300 . 3.800 1.984 1.984 1.984 . 0 0 "[ ]" 2
7 1 41 PHE QE 1 61 SER HB3 3.000 . 4.000 2.553 2.553 2.553 . 0 0 "[ ]" 2
8 1 41 PHE QE 1 61 SER HB2 3.000 . 4.000 3.171 3.171 3.171 . 0 0 "[ ]" 2
9 1 23 LEU MD1 1 41 PHE QD 3.000 . 4.500 3.328 3.328 3.328 . 0 0 "[ ]" 2
10 1 23 LEU MD2 1 41 PHE QD 2.300 . 3.800 2.493 2.493 2.493 . 0 0 "[ ]" 2
11 1 23 LEU MD1 1 41 PHE QE 3.500 2.300 5.000 3.730 3.730 3.730 . 0 0 "[ ]" 2
12 1 18 ILE MD 1 41 PHE QD 3.000 . 4.500 2.392 2.392 2.392 . 0 0 "[ ]" 2
13 1 26 TYR HA 1 41 PHE QD 3.000 . 4.000 3.230 3.230 3.230 . 0 0 "[ ]" 2
14 1 26 TYR HB3 1 41 PHE QD 2.300 . 2.800 1.969 1.969 1.969 . 0 0 "[ ]" 2
15 1 26 TYR HB2 1 41 PHE QD 2.300 . 2.800 2.532 2.532 2.532 . 0 0 "[ ]" 2
16 1 26 TYR HB3 1 41 PHE QE 3.000 . 3.500 2.712 2.712 2.712 . 0 0 "[ ]" 2
17 1 26 TYR HB2 1 41 PHE QE 3.000 . 3.500 2.912 2.912 2.912 . 0 0 "[ ]" 2
18 1 26 TYR QD 1 41 PHE QD 4.500 . 6.000 4.028 4.028 4.028 . 0 0 "[ ]" 2
19 1 41 PHE QD 1 51 ALA MB 3.500 . 5.000 2.018 2.018 2.018 . 0 0 "[ ]" 2
20 1 41 PHE QE 1 51 ALA MB 3.500 . 5.000 2.131 2.131 2.131 . 0 0 "[ ]" 2
21 1 41 PHE QE 1 65 LEU MD1 3.000 . 4.500 2.625 2.625 2.625 . 0 0 "[ ]" 2
22 1 26 TYR QD 1 62 MET HA 3.000 . 4.000 3.588 3.588 3.588 . 0 0 "[ ]" 2
23 1 26 TYR QE 1 62 MET HA 3.000 . 4.000 3.572 3.572 3.572 . 0 0 "[ ]" 2
24 1 26 TYR QD 1 65 LEU HB3 3.500 . 4.500 2.783 2.783 2.783 . 0 0 "[ ]" 2
25 1 26 TYR QD 1 65 LEU HB2 3.500 . 4.500 3.446 3.446 3.446 . 0 0 "[ ]" 2
26 1 26 TYR QE 1 65 LEU HB3 3.500 . 4.500 2.326 2.326 2.326 . 0 0 "[ ]" 2
27 1 26 TYR QE 1 65 LEU HB2 3.500 . 4.500 3.269 3.269 3.269 . 0 0 "[ ]" 2
28 1 26 TYR QD 1 65 LEU MD2 4.500 2.800 5.500 3.251 3.251 3.251 . 0 0 "[ ]" 2
29 1 26 TYR QD 1 65 LEU MD1 3.000 . 4.500 1.912 1.912 1.912 . 0 0 "[ ]" 2
30 1 26 TYR QE 1 65 LEU MD1 3.500 . 5.000 3.374 3.374 3.374 . 0 0 "[ ]" 2
31 1 26 TYR QE 1 66 ASP HA 3.500 . 4.500 3.971 3.971 3.971 . 0 0 "[ ]" 2
32 1 26 TYR QD 1 39 VAL MG2 3.500 . 5.000 3.732 3.732 3.732 . 0 0 "[ ]" 2
33 1 26 TYR QD 1 39 VAL MG1 3.000 . 4.500 2.151 2.151 2.151 . 0 0 "[ ]" 2
34 1 26 TYR QE 1 39 VAL MG1 4.500 . 6.000 3.585 3.585 3.585 . 0 0 "[ ]" 2
35 1 26 TYR QE 1 39 VAL MG2 4.500 . 6.000 4.186 4.186 4.186 . 0 0 "[ ]" 2
36 1 20 LEU MD2 1 64 TYR QD 3.000 . 4.500 2.250 2.250 2.250 . 0 0 "[ ]" 2
37 1 20 LEU MD2 1 64 TYR QE 3.000 . 4.500 3.068 3.068 3.068 . 0 0 "[ ]" 2
38 1 20 LEU MD1 1 64 TYR QE 3.500 . 5.000 3.273 3.273 3.273 . 0 0 "[ ]" 2
39 1 23 LEU MD1 1 64 TYR QD 3.500 . 5.000 2.872 2.872 2.872 . 0 0 "[ ]" 2
40 1 23 LEU MD1 1 64 TYR QE 3.500 . 5.000 3.733 3.733 3.733 . 0 0 "[ ]" 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 207
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 0.753
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0269
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 ALA 0.000 0.000 . 0 "[ ]"
1 4 SER 0.000 0.000 . 0 "[ ]"
1 5 VAL 0.000 0.000 . 0 "[ ]"
1 6 PRO 0.000 0.000 . 0 "[ ]"
1 7 THR 0.000 0.000 . 0 "[ ]"
1 8 THR 0.057 0.057 1 0 "[ ]"
1 9 CYS 0.057 0.057 1 0 "[ ]"
1 10 CYS 0.000 0.000 . 0 "[ ]"
1 11 PHE 0.010 0.010 1 0 "[ ]"
1 12 ASN 0.010 0.010 1 0 "[ ]"
1 13 LEU 0.010 0.010 1 0 "[ ]"
1 14 ALA 0.010 0.010 1 0 "[ ]"
1 15 ASN 0.033 0.033 1 0 "[ ]"
1 16 ARG 0.033 0.033 1 0 "[ ]"
1 17 LYS 0.000 0.000 . 0 "[ ]"
1 18 ILE 0.000 0.000 . 0 "[ ]"
1 19 PRO 0.030 0.030 1 0 "[ ]"
1 20 LEU 0.060 0.030 1 0 "[ ]"
1 21 GLN 0.030 0.030 1 0 "[ ]"
1 22 ARG 0.027 0.027 1 0 "[ ]"
1 23 LEU 0.027 0.027 1 0 "[ ]"
1 24 GLU 0.000 0.000 . 0 "[ ]"
1 25 SER 0.000 0.000 . 0 "[ ]"
1 26 TYR 0.030 0.030 1 0 "[ ]"
1 27 ARG 0.030 0.030 1 0 "[ ]"
1 28 ARG 0.025 0.025 1 0 "[ ]"
1 29 ILE 0.047 0.025 1 0 "[ ]"
1 30 THR 0.022 0.022 1 0 "[ ]"
1 31 SER 0.000 0.000 . 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 33 LYS 0.034 0.034 1 0 "[ ]"
1 34 CYS 0.034 0.034 1 0 "[ ]"
1 35 PRO 0.012 0.012 1 0 "[ ]"
1 36 GLN 0.012 0.012 1 0 "[ ]"
1 37 LYS 0.000 0.000 . 0 "[ ]"
1 38 ALA 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 ILE 0.000 0.000 . 0 "[ ]"
1 41 PHE 0.012 0.012 1 0 "[ ]"
1 42 LYS 0.048 0.035 1 0 "[ ]"
1 43 THR 0.035 0.035 1 0 "[ ]"
1 44 LYS 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.045 0.045 1 0 "[ ]"
1 46 ALA 0.045 0.045 1 0 "[ ]"
1 47 LYS 0.002 0.002 1 0 "[ ]"
1 48 ASP 0.002 0.002 1 0 "[ ]"
1 49 ILE 0.000 0.000 . 0 "[ ]"
1 50 CYS 0.018 0.018 1 0 "[ ]"
1 51 ALA 0.018 0.018 1 0 "[ ]"
1 52 ASP 0.000 0.000 . 0 "[ ]"
1 53 PRO 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 LYS 0.000 0.000 . 0 "[ ]"
1 56 LYS 0.044 0.044 1 0 "[ ]"
1 57 TRP 0.044 0.044 1 0 "[ ]"
1 58 VAL 0.026 0.026 1 0 "[ ]"
1 59 GLN 0.063 0.037 1 0 "[ ]"
1 60 ASP 0.061 0.037 1 0 "[ ]"
1 61 SER 0.082 0.059 1 0 "[ ]"
1 62 MET 0.105 0.059 1 0 "[ ]"
1 63 LYS 0.047 0.046 1 0 "[ ]"
1 64 TYR 0.060 0.059 1 0 "[ ]"
1 65 LEU 0.073 0.059 1 0 "[ ]"
1 66 ASP 0.025 0.014 1 0 "[ ]"
1 67 GLN 0.011 0.011 1 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
1 69 SER 0.000 0.000 . 0 "[ ]"
1 70 PRO 0.000 0.000 . 0 "[ ]"
1 71 THR 0.000 0.000 . 0 "[ ]"
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 15 ASN H 1 16 ARG H 4.500 . 5.000 2.259 2.259 2.259 . 0 0 "[ ]" 3
2 1 17 LYS H 1 18 ILE H 4.500 . 5.000 4.493 4.493 4.493 . 0 0 "[ ]" 3
3 1 20 LEU H 1 21 GLN H 2.300 . 2.800 2.437 2.437 2.437 . 0 0 "[ ]" 3
4 1 21 GLN H 1 22 ARG H 2.300 . 2.800 2.667 2.667 2.667 . 0 0 "[ ]" 3
5 1 22 ARG H 1 23 LEU H 2.300 . 2.800 2.317 2.317 2.317 . 0 0 "[ ]" 3
6 1 23 LEU H 1 24 GLU H 4.500 . 5.000 4.599 4.599 4.599 . 0 0 "[ ]" 3
7 1 24 GLU H 1 25 SER H 2.300 . 2.800 1.966 1.966 1.966 . 0 0 "[ ]" 3
8 1 25 SER H 1 26 TYR H 4.500 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 3
9 1 28 ARG H 1 29 ILE H 4.500 . 5.000 4.605 4.605 4.605 . 0 0 "[ ]" 3
10 1 30 THR H 1 31 SER H 4.500 . 5.000 1.991 1.991 1.991 . 0 0 "[ ]" 3
11 1 33 LYS H 1 34 CYS H 2.300 . 2.800 1.996 1.996 1.996 . 0 0 "[ ]" 3
12 1 36 GLN H 1 37 LYS H 4.500 . 5.000 4.303 4.303 4.303 . 0 0 "[ ]" 3
13 1 44 LYS H 1 45 LEU H 3.000 . 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 3
14 1 45 LEU H 1 46 ALA H 2.300 . 2.800 2.291 2.291 2.291 . 0 0 "[ ]" 3
15 1 46 ALA H 1 47 LYS H 2.300 . 2.800 2.680 2.680 2.680 . 0 0 "[ ]" 3
16 1 50 CYS H 1 51 ALA H 4.500 . 5.000 4.561 4.561 4.561 . 0 0 "[ ]" 3
17 1 54 LYS H 1 55 LYS H 2.300 . 2.800 2.550 2.550 2.550 . 0 0 "[ ]" 3
18 1 55 LYS H 1 56 LYS H 4.500 . 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 3
19 1 56 LYS H 1 57 TRP H 3.000 . 3.500 2.516 2.516 2.516 . 0 0 "[ ]" 3
20 1 57 TRP H 1 58 VAL H 2.300 . 2.800 2.479 2.479 2.479 . 0 0 "[ ]" 3
21 1 58 VAL H 1 59 GLN H 2.300 . 2.800 2.413 2.413 2.413 . 0 0 "[ ]" 3
22 1 59 GLN H 1 60 ASP H 2.300 . 2.800 2.640 2.640 2.640 . 0 0 "[ ]" 3
23 1 60 ASP H 1 61 SER H 2.300 . 2.800 2.499 2.499 2.499 . 0 0 "[ ]" 3
24 1 61 SER H 1 62 MET H 3.000 . 3.500 2.693 2.693 2.693 . 0 0 "[ ]" 3
25 1 62 MET H 1 63 LYS H 2.300 . 2.800 2.678 2.678 2.678 . 0 0 "[ ]" 3
26 1 63 LYS H 1 64 TYR H 2.300 . 2.800 2.545 2.545 2.545 . 0 0 "[ ]" 3
27 1 64 TYR H 1 65 LEU H 2.300 . 2.800 2.754 2.754 2.754 . 0 0 "[ ]" 3
28 1 65 LEU H 1 66 ASP H 2.300 . 2.800 2.567 2.567 2.567 . 0 0 "[ ]" 3
29 1 66 ASP H 1 67 GLN H 2.300 . 2.800 2.594 2.594 2.594 . 0 0 "[ ]" 3
30 1 67 GLN H 1 68 LYS H 2.300 . 2.800 2.438 2.438 2.438 . 0 0 "[ ]" 3
31 1 68 LYS H 1 69 SER H 2.300 . 2.800 2.714 2.714 2.714 . 0 0 "[ ]" 3
32 1 2 PRO HA 1 3 ALA H 4.500 . 5.500 2.273 2.273 2.273 . 0 0 "[ ]" 3
33 1 3 ALA HA 1 4 SER H 4.500 . 5.500 2.301 2.301 2.301 . 0 0 "[ ]" 3
34 1 4 SER HA 1 5 VAL H 4.500 . 5.500 3.555 3.555 3.555 . 0 0 "[ ]" 3
35 1 5 VAL HA 1 6 PRO QD . . 4.000 1.938 1.938 1.938 . 0 0 "[ ]" 3
36 1 6 PRO HA 1 7 THR H 4.500 . 5.500 2.702 2.702 2.702 . 0 0 "[ ]" 3
37 1 7 THR HA 1 8 THR H 4.500 . 5.500 2.156 2.156 2.156 . 0 0 "[ ]" 3
38 1 8 THR HA 1 9 CYS H 3.000 . 3.500 3.557 3.557 3.557 0.057 1 0 "[ ]" 3
39 1 9 CYS HA 1 10 CYS H 3.000 . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 3
40 1 10 CYS HA 1 11 PHE H 4.500 . 5.500 2.332 2.332 2.332 . 0 0 "[ ]" 3
41 1 11 PHE HA 1 12 ASN H 3.000 . 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 3
42 1 12 ASN HA 1 13 LEU H 2.300 . 2.800 2.400 2.400 2.400 . 0 0 "[ ]" 3
43 1 13 LEU HA 1 14 ALA H 2.300 . 2.800 2.194 2.194 2.194 . 0 0 "[ ]" 3
44 1 14 ALA HA 1 15 ASN H 2.300 . 2.800 2.187 2.187 2.187 . 0 0 "[ ]" 3
45 1 15 ASN HA 1 16 ARG H 3.000 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 3
46 1 16 ARG HA 1 17 LYS H 2.300 . 2.800 2.383 2.383 2.383 . 0 0 "[ ]" 3
47 1 17 LYS HA 1 18 ILE H 3.000 . 3.500 2.157 2.157 2.157 . 0 0 "[ ]" 3
48 1 19 PRO HA 1 20 LEU H 2.300 . 2.800 2.324 2.324 2.324 . 0 0 "[ ]" 3
49 1 20 LEU HA 1 21 GLN H 3.000 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 3
50 1 21 GLN HA 1 22 ARG H 3.000 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 3
51 1 22 ARG HA 1 23 LEU H 3.500 . 4.000 3.408 3.408 3.408 . 0 0 "[ ]" 3
52 1 23 LEU HA 1 24 GLU H 2.300 . 2.800 2.204 2.204 2.204 . 0 0 "[ ]" 3
53 1 24 GLU HA 1 25 SER H 3.500 . 4.000 3.539 3.539 3.539 . 0 0 "[ ]" 3
54 1 25 SER HA 1 26 TYR H 2.300 . 2.800 2.653 2.653 2.653 . 0 0 "[ ]" 3
55 1 26 TYR HA 1 27 ARG H 2.300 . 2.800 2.260 2.260 2.260 . 0 0 "[ ]" 3
56 1 27 ARG HA 1 28 ARG H 2.300 . 2.800 2.158 2.158 2.158 . 0 0 "[ ]" 3
57 1 28 ARG HA 1 29 ILE H 2.300 . 2.800 2.258 2.258 2.258 . 0 0 "[ ]" 3
58 1 29 ILE HA 1 30 THR H 2.300 . 2.800 2.165 2.165 2.165 . 0 0 "[ ]" 3
59 1 30 THR HA 1 31 SER H 3.000 . 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 3
60 1 31 SER HA 1 32 GLY H 3.500 . 4.000 2.624 2.624 2.624 . 0 0 "[ ]" 3
61 1 32 GLY QA 1 33 LYS H 3.000 . 4.000 2.786 2.786 2.786 . 0 0 "[ ]" 3
62 1 33 LYS HA 1 34 CYS H 3.000 . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 3
63 1 35 PRO HA 1 36 GLN H 3.000 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 3
64 1 36 GLN HA 1 37 LYS H 2.300 . 2.800 2.163 2.163 2.163 . 0 0 "[ ]" 3
65 1 37 LYS HA 1 38 ALA H 2.300 . 2.800 2.276 2.276 2.276 . 0 0 "[ ]" 3
66 1 38 ALA HA 1 39 VAL H 2.300 . 2.800 2.595 2.595 2.595 . 0 0 "[ ]" 3
67 1 39 VAL HA 1 40 ILE H 2.300 . 2.800 2.314 2.314 2.314 . 0 0 "[ ]" 3
68 1 40 ILE HA 1 41 PHE H 2.300 . 2.800 2.196 2.196 2.196 . 0 0 "[ ]" 3
69 1 41 PHE HA 1 42 LYS H 2.300 . 2.800 2.225 2.225 2.225 . 0 0 "[ ]" 3
70 1 42 LYS HA 1 43 THR H 2.300 . 2.800 2.154 2.154 2.154 . 0 0 "[ ]" 3
71 1 43 THR HA 1 44 LYS H 2.300 . 2.800 2.758 2.758 2.758 . 0 0 "[ ]" 3
72 1 44 LYS HA 1 45 LEU H 3.500 . 4.000 2.953 2.953 2.953 . 0 0 "[ ]" 3
73 1 45 LEU HA 1 46 ALA H 3.500 . 4.000 3.081 3.081 3.081 . 0 0 "[ ]" 3
74 1 46 ALA HA 1 47 LYS H 3.000 . 3.500 2.828 2.828 2.828 . 0 0 "[ ]" 3
75 1 47 LYS HA 1 48 ASP H 2.300 . 2.800 2.207 2.207 2.207 . 0 0 "[ ]" 3
76 1 48 ASP HA 1 49 ILE H 2.300 . 2.800 2.321 2.321 2.321 . 0 0 "[ ]" 3
77 1 49 ILE HA 1 50 CYS H 2.300 . 2.800 2.344 2.344 2.344 . 0 0 "[ ]" 3
78 1 50 CYS HA 1 51 ALA H 2.300 . 2.800 2.236 2.236 2.236 . 0 0 "[ ]" 3
79 1 51 ALA HA 1 52 ASP H 2.300 . 2.800 2.230 2.230 2.230 . 0 0 "[ ]" 3
80 1 54 LYS HA 1 55 LYS H 3.000 . 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 3
81 1 55 LYS HA 1 56 LYS H 2.300 . 2.800 2.376 2.376 2.376 . 0 0 "[ ]" 3
82 1 56 LYS HA 1 57 TRP H 3.000 . 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 3
83 1 57 TRP HA 1 58 VAL H 3.000 . 3.500 3.485 3.485 3.485 . 0 0 "[ ]" 3
84 1 58 VAL HA 1 59 GLN H 3.000 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 3
85 1 59 GLN HA 1 60 ASP H 3.000 . 3.500 3.537 3.537 3.537 0.037 1 0 "[ ]" 3
86 1 60 ASP HA 1 61 SER H 3.000 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 3
87 1 61 SER HA 1 62 MET H 3.000 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 3
88 1 62 MET HA 1 63 LYS H 3.000 . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 3
89 1 63 LYS HA 1 64 TYR H 3.000 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 3
90 1 64 TYR HA 1 65 LEU H 3.000 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 3
91 1 65 LEU HA 1 66 ASP H 3.000 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 3
92 1 66 ASP HA 1 67 GLN H 3.000 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 3
93 1 67 GLN HA 1 68 LYS H 3.000 . 3.500 3.495 3.495 3.495 . 0 0 "[ ]" 3
94 1 68 LYS HA 1 69 SER H 3.000 . 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 3
95 1 69 SER HA 1 70 PRO QD 3.000 . 4.500 2.192 2.192 2.192 . 0 0 "[ ]" 3
96 1 70 PRO HA 1 71 THR H 3.000 . 3.500 2.339 2.339 2.339 . 0 0 "[ ]" 3
97 1 9 CYS HB3 1 10 CYS H 3.500 . 4.000 2.778 2.778 2.778 . 0 0 "[ ]" 3
98 1 9 CYS HB2 1 10 CYS H 3.500 . 4.000 3.771 3.771 3.771 . 0 0 "[ ]" 3
99 1 11 PHE QB 1 12 ASN H 3.000 . 4.500 2.719 2.719 2.719 . 0 0 "[ ]" 3
100 1 12 ASN QB 1 13 LEU H 3.500 . 5.000 4.034 4.034 4.034 . 0 0 "[ ]" 3
101 1 13 LEU HB3 1 14 ALA H 2.500 . 3.000 3.010 3.010 3.010 0.010 1 0 "[ ]" 3
102 1 14 ALA MB 1 15 ASN H 3.000 . 4.000 2.929 2.929 2.929 . 0 0 "[ ]" 3
103 1 15 ASN HB3 1 16 ARG H 3.500 . 5.000 3.307 3.307 3.307 . 0 0 "[ ]" 3
104 1 19 PRO HB3 1 20 LEU H 3.000 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 3
105 1 19 PRO HB2 1 20 LEU H 3.000 . 3.500 2.851 2.851 2.851 . 0 0 "[ ]" 3
106 1 20 LEU HB3 1 21 GLN H 3.500 . 4.000 3.790 3.790 3.790 . 0 0 "[ ]" 3
107 1 20 LEU HB2 1 21 GLN H 3.000 . 3.500 2.600 2.600 2.600 . 0 0 "[ ]" 3
108 1 21 GLN HB3 1 22 ARG H 3.500 . 4.000 2.848 2.848 2.848 . 0 0 "[ ]" 3
109 1 21 GLN HB2 1 22 ARG H 3.500 . 4.000 3.851 3.851 3.851 . 0 0 "[ ]" 3
110 1 22 ARG HB2 1 23 LEU H 3.500 . 4.000 4.027 4.027 4.027 0.027 1 0 "[ ]" 3
111 1 23 LEU HB3 1 24 GLU H 3.000 . 3.500 3.038 3.038 3.038 . 0 0 "[ ]" 3
112 1 24 GLU HB3 1 25 SER H 3.300 2.100 3.800 2.553 2.553 2.553 . 0 0 "[ ]" 3
113 1 24 GLU HB2 1 25 SER H 3.300 2.100 3.800 3.743 3.743 3.743 . 0 0 "[ ]" 3
114 1 25 SER HB3 1 26 TYR H 3.500 . 4.000 2.644 2.644 2.644 . 0 0 "[ ]" 3
115 1 25 SER HB2 1 26 TYR H 3.500 . 4.000 3.710 3.710 3.710 . 0 0 "[ ]" 3
116 1 26 TYR HB3 1 27 ARG H 3.500 . 4.000 4.030 4.030 4.030 0.030 1 0 "[ ]" 3
117 1 26 TYR HB2 1 27 ARG H 3.000 . 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 3
118 1 27 ARG QB 1 28 ARG H 3.000 . 4.500 3.914 3.914 3.914 . 0 0 "[ ]" 3
119 1 28 ARG HB2 1 29 ILE H 3.000 . 4.000 4.025 4.025 4.025 0.025 1 0 "[ ]" 3
120 1 29 ILE HB 1 30 THR H 3.500 . 4.000 4.022 4.022 4.022 0.022 1 0 "[ ]" 3
121 1 35 PRO HB2 1 36 GLN H 3.500 . 4.000 3.354 3.354 3.354 . 0 0 "[ ]" 3
122 1 36 GLN QB 1 37 LYS H 3.000 . 4.500 3.068 3.068 3.068 . 0 0 "[ ]" 3
123 1 37 LYS QB 1 38 ALA H 3.500 . 5.000 2.693 2.693 2.693 . 0 0 "[ ]" 3
124 1 38 ALA MB 1 39 VAL H 2.300 . 2.800 2.066 2.066 2.066 . 0 0 "[ ]" 3
125 1 39 VAL HB 1 40 ILE H 3.500 . 4.000 3.665 3.665 3.665 . 0 0 "[ ]" 3
126 1 41 PHE HB3 1 42 LYS H 3.000 . 3.500 2.808 2.808 2.808 . 0 0 "[ ]" 3
127 1 41 PHE HB2 1 42 LYS H 3.500 . 4.000 4.012 4.012 4.012 0.012 1 0 "[ ]" 3
128 1 42 LYS HB3 1 43 THR H 3.500 2.300 4.000 3.213 3.213 3.213 . 0 0 "[ ]" 3
129 1 42 LYS HB2 1 43 THR H 3.500 2.300 4.000 4.035 4.035 4.035 0.035 1 0 "[ ]" 3
130 1 43 THR HB 1 44 LYS H 2.300 . 2.800 1.974 1.974 1.974 . 0 0 "[ ]" 3
131 1 45 LEU HB2 1 46 ALA H 3.500 . 4.000 4.045 4.045 4.045 0.045 1 0 "[ ]" 3
132 1 46 ALA MB 1 47 LYS H 3.500 . 4.500 3.676 3.676 3.676 . 0 0 "[ ]" 3
133 1 47 LYS HB3 1 48 ASP H 3.500 2.300 4.000 2.971 2.971 2.971 . 0 0 "[ ]" 3
134 1 47 LYS HB2 1 48 ASP H 3.500 2.300 4.000 4.002 4.002 4.002 0.002 1 0 "[ ]" 3
135 1 48 ASP HB3 1 49 ILE H 3.000 . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 3
136 1 48 ASP HB2 1 49 ILE H 3.500 . 4.000 3.622 3.622 3.622 . 0 0 "[ ]" 3
137 1 49 ILE HB 1 50 CYS H 3.500 . 4.000 3.593 3.593 3.593 . 0 0 "[ ]" 3
138 1 50 CYS HB3 1 51 ALA H 3.000 . 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 3
139 1 50 CYS HB2 1 51 ALA H 3.500 . 4.000 4.018 4.018 4.018 0.018 1 0 "[ ]" 3
140 1 51 ALA MB 1 52 ASP H 3.000 . 4.000 2.741 2.741 2.741 . 0 0 "[ ]" 3
141 1 56 LYS QB 1 57 TRP H 3.000 . 4.500 2.434 2.434 2.434 . 0 0 "[ ]" 3
142 1 57 TRP HB3 1 58 VAL H 4.500 . 5.000 4.125 4.125 4.125 . 0 0 "[ ]" 3
143 1 57 TRP HB2 1 58 VAL H 4.500 . 5.000 3.959 3.959 3.959 . 0 0 "[ ]" 3
144 1 58 VAL HB 1 59 GLN H 3.000 . 3.500 2.625 2.625 2.625 . 0 0 "[ ]" 3
145 1 59 GLN QB 1 60 ASP H 3.000 . 4.500 2.534 2.534 2.534 . 0 0 "[ ]" 3
146 1 60 ASP HB3 1 61 SER H 3.000 . 3.500 2.825 2.825 2.825 . 0 0 "[ ]" 3
147 1 60 ASP HB2 1 61 SER H 3.000 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 3
148 1 61 SER HB3 1 62 MET H 3.000 . 3.500 3.135 3.135 3.135 . 0 0 "[ ]" 3
149 1 62 MET QB 1 63 LYS H 3.000 . 4.500 2.437 2.437 2.437 . 0 0 "[ ]" 3
150 1 63 LYS QB 1 64 TYR H 2.300 . 3.800 2.647 2.647 2.647 . 0 0 "[ ]" 3
151 1 64 TYR QB 1 65 LEU H 3.000 . 4.500 2.310 2.310 2.310 . 0 0 "[ ]" 3
152 1 65 LEU HB3 1 66 ASP H 3.000 . 3.500 3.467 3.467 3.467 . 0 0 "[ ]" 3
153 1 65 LEU HB2 1 66 ASP H 3.000 . 3.500 2.638 2.638 2.638 . 0 0 "[ ]" 3
154 1 66 ASP HB3 1 67 GLN H 3.500 . 4.000 3.528 3.528 3.528 . 0 0 "[ ]" 3
155 1 66 ASP HB2 1 67 GLN H 3.000 . 3.500 2.896 2.896 2.896 . 0 0 "[ ]" 3
156 1 67 GLN QB 1 68 LYS H 3.000 . 4.000 2.786 2.786 2.786 . 0 0 "[ ]" 3
157 1 8 THR MG 1 9 CYS H 3.000 . 4.000 3.151 3.151 3.151 . 0 0 "[ ]" 3
158 1 19 PRO QG 1 20 LEU H 4.500 . 6.000 4.413 4.413 4.413 . 0 0 "[ ]" 3
159 1 20 LEU HG 1 21 GLN H 4.500 . 5.000 4.003 4.003 4.003 . 0 0 "[ ]" 3
160 1 21 GLN QG 1 22 ARG H 3.500 . 4.500 4.062 4.062 4.062 . 0 0 "[ ]" 3
161 1 29 ILE MG 1 30 THR H 4.500 . 5.500 2.406 2.406 2.406 . 0 0 "[ ]" 3
162 1 30 THR MG 1 31 SER H 4.500 . 5.500 4.199 4.199 4.199 . 0 0 "[ ]" 3
163 1 24 GLU QG 1 25 SER H 4.500 . 6.000 3.871 3.871 3.871 . 0 0 "[ ]" 3
164 1 28 ARG QG 1 29 ILE H 2.300 . 3.800 2.091 2.091 2.091 . 0 0 "[ ]" 3
165 1 39 VAL MG1 1 40 ILE H 3.000 . 4.000 1.919 1.919 1.919 . 0 0 "[ ]" 3
166 1 39 VAL MG2 1 40 ILE H 3.500 . 4.500 3.784 3.784 3.784 . 0 0 "[ ]" 3
167 1 40 ILE MG 1 41 PHE H 2.300 . 3.300 2.309 2.309 2.309 . 0 0 "[ ]" 3
168 1 43 THR HG1 1 44 LYS H 3.500 . 5.000 2.556 2.556 2.556 . 0 0 "[ ]" 3
169 1 47 LYS QG 1 48 ASP H 3.500 . 5.000 4.038 4.038 4.038 . 0 0 "[ ]" 3
170 1 49 ILE MG 1 50 CYS H 2.300 . 3.300 1.919 1.919 1.919 . 0 0 "[ ]" 3
171 1 56 LYS QG 1 57 TRP H 3.000 . 4.500 4.030 4.030 4.030 . 0 0 "[ ]" 3
172 1 58 VAL MG2 1 59 GLN H 3.500 . 5.000 3.770 3.770 3.770 . 0 0 "[ ]" 3
173 1 58 VAL MG1 1 59 GLN H 3.000 . 4.500 3.595 3.595 3.595 . 0 0 "[ ]" 3
174 1 13 LEU MD2 1 14 ALA H 3.500 . 4.500 3.451 3.451 3.451 . 0 0 "[ ]" 3
175 1 23 LEU MD2 1 24 GLU H 2.300 . 3.300 2.375 2.375 2.375 . 0 0 "[ ]" 3
176 1 49 ILE MD 1 50 CYS H 4.500 . 5.500 4.580 4.580 4.580 . 0 0 "[ ]" 3
177 1 65 LEU MD2 1 66 ASP H 4.500 . 5.500 4.608 4.608 4.608 . 0 0 "[ ]" 3
178 1 65 LEU MD1 1 66 ASP H 4.500 . 5.500 4.497 4.497 4.497 . 0 0 "[ ]" 3
179 1 58 VAL MG1 1 59 GLN HA 4.500 . 5.500 3.686 3.686 3.686 . 0 0 "[ ]" 3
180 1 64 TYR QD 1 65 LEU MD2 3.000 . 5.500 3.200 3.200 3.200 . 0 0 "[ ]" 3
181 1 64 TYR QD 1 65 LEU MD1 4.500 . 7.000 3.924 3.924 3.924 . 0 0 "[ ]" 3
182 1 64 TYR QD 1 65 LEU HA 3.500 . 6.000 3.870 3.870 3.870 . 0 0 "[ ]" 3
183 1 63 LYS QB 1 64 TYR QD 3.500 . 7.000 5.454 5.454 5.454 . 0 0 "[ ]" 3
184 1 64 TYR QD 1 65 LEU H 3.500 . 7.000 3.343 3.343 3.343 . 0 0 "[ ]" 3
185 1 64 TYR QE 1 65 LEU H 5.000 2.800 8.500 5.279 5.279 5.279 . 0 0 "[ ]" 3
186 1 25 SER HA 1 26 TYR QD 3.500 . 6.000 3.038 3.038 3.038 . 0 0 "[ ]" 3
187 1 26 TYR QD 1 27 ARG HA 3.500 . 6.300 4.539 4.539 4.539 . 0 0 "[ ]" 3
188 1 64 TYR H 1 65 LEU HG 4.500 . 5.000 4.923 4.923 4.923 . 0 0 "[ ]" 3
189 1 57 TRP HE3 1 58 VAL MG2 4.500 . 5.500 3.162 3.162 3.162 . 0 0 "[ ]" 3
190 1 57 TRP HD1 1 58 VAL MG2 4.500 . 5.500 4.015 4.015 4.015 . 0 0 "[ ]" 3
191 1 57 TRP HZ2 1 58 VAL MG2 3.500 . 4.500 2.918 2.918 2.918 . 0 0 "[ ]" 3
192 1 57 TRP HZ3 1 58 VAL MG2 4.500 . 5.500 2.930 2.930 2.930 . 0 0 "[ ]" 3
193 1 57 TRP HE1 1 58 VAL MG2 3.500 . 4.500 3.277 3.277 3.277 . 0 0 "[ ]" 3
194 1 57 TRP HH2 1 58 VAL MG2 4.500 . 5.500 2.931 2.931 2.931 . 0 0 "[ ]" 3
195 1 57 TRP HZ3 1 58 VAL HA 4.500 . 5.000 3.951 3.951 3.951 . 0 0 "[ ]" 3
196 1 57 TRP HE3 1 58 VAL HA 3.000 . 3.500 3.215 3.215 3.215 . 0 0 "[ ]" 3
197 1 57 TRP HD1 1 58 VAL H 5.000 . 5.500 3.815 3.815 3.815 . 0 0 "[ ]" 3
198 1 18 ILE HA 1 19 PRO HD3 2.300 . 2.800 2.076 2.076 2.076 . 0 0 "[ ]" 3
199 1 18 ILE HA 1 19 PRO HD2 2.300 . 2.800 2.535 2.535 2.535 . 0 0 "[ ]" 3
200 1 18 ILE MG 1 19 PRO HD3 3.000 . 4.000 2.940 2.940 2.940 . 0 0 "[ ]" 3
201 1 18 ILE MG 1 19 PRO HD2 3.000 . 4.000 1.842 1.842 1.842 . 0 0 "[ ]" 3
202 1 34 CYS HA 1 35 PRO HD3 2.300 . 2.800 2.035 2.035 2.035 . 0 0 "[ ]" 3
203 1 34 CYS HA 1 35 PRO HD2 2.300 . 2.800 2.748 2.748 2.748 . 0 0 "[ ]" 3
204 1 35 PRO HD3 1 36 GLN H 3.500 . 4.000 3.589 3.589 3.589 . 0 0 "[ ]" 3
205 1 35 PRO HD2 1 36 GLN H 5.000 . 5.500 2.179 2.179 2.179 . 0 0 "[ ]" 3
206 1 52 ASP HA 1 53 PRO HD3 2.300 . 2.800 2.040 2.040 2.040 . 0 0 "[ ]" 3
207 1 52 ASP HA 1 53 PRO HD2 2.300 . 2.800 2.646 2.646 2.646 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 73
_Distance_constraint_stats_list.Viol_count 13
_Distance_constraint_stats_list.Viol_total 0.357
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0275
_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 9 CYS 0.000 0.000 . 0 "[ ]"
1 10 CYS 0.000 0.000 . 0 "[ ]"
1 11 PHE 0.000 0.000 . 0 "[ ]"
1 13 LEU 0.000 0.000 . 0 "[ ]"
1 19 PRO 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.018 0.018 1 0 "[ ]"
1 21 GLN 0.045 0.045 1 0 "[ ]"
1 22 ARG 0.018 0.018 1 0 "[ ]"
1 23 LEU 0.050 0.045 1 0 "[ ]"
1 25 SER 0.005 0.005 1 0 "[ ]"
1 26 TYR 0.000 0.000 . 0 "[ ]"
1 28 ARG 0.000 0.000 . 0 "[ ]"
1 29 ILE 0.000 0.000 . 0 "[ ]"
1 31 SER 0.000 0.000 . 0 "[ ]"
1 34 CYS 0.000 0.000 . 0 "[ ]"
1 36 GLN 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 41 PHE 0.000 0.000 . 0 "[ ]"
1 43 THR 0.000 0.000 . 0 "[ ]"
1 44 LYS 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 46 ALA 0.000 0.000 . 0 "[ ]"
1 47 LYS 0.000 0.000 . 0 "[ ]"
1 55 LYS 0.000 0.000 . 0 "[ ]"
1 56 LYS 0.025 0.025 1 0 "[ ]"
1 57 TRP 0.045 0.039 1 0 "[ ]"
1 58 VAL 0.017 0.016 1 0 "[ ]"
1 59 GLN 0.096 0.057 1 0 "[ ]"
1 60 ASP 0.082 0.035 1 0 "[ ]"
1 61 SER 0.000 0.000 1 0 "[ ]"
1 62 MET 0.118 0.061 1 0 "[ ]"
1 63 LYS 0.038 0.035 1 0 "[ ]"
1 64 TYR 0.047 0.047 1 0 "[ ]"
1 65 LEU 0.061 0.061 1 0 "[ ]"
1 66 ASP 0.003 0.003 1 0 "[ ]"
1 67 GLN 0.047 0.047 1 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
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 20 LEU HA 1 22 ARG H 3.500 . 4.000 4.018 4.018 4.018 0.018 1 0 "[ ]" 4
2 1 21 GLN HA 1 23 LEU H 3.500 . 4.000 4.045 4.045 4.045 0.045 1 0 "[ ]" 4
3 1 23 LEU HA 1 25 SER H 3.500 . 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 4
4 1 44 LYS HA 1 46 ALA H 3.500 . 4.000 3.468 3.468 3.468 . 0 0 "[ ]" 4
5 1 56 LYS HA 1 58 VAL H 4.500 . 5.000 4.269 4.269 4.269 . 0 0 "[ ]" 4
6 1 58 VAL HA 1 60 ASP H 4.500 . 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 4
7 1 62 MET HA 1 64 TYR H 4.500 . 5.000 4.251 4.251 4.251 . 0 0 "[ ]" 4
8 1 20 LEU HA 1 23 LEU H 3.000 . 3.500 3.082 3.082 3.082 . 0 0 "[ ]" 4
9 1 56 LYS HA 1 59 GLN H 3.500 . 4.000 3.582 3.582 3.582 . 0 0 "[ ]" 4
10 1 57 TRP HA 1 60 ASP H 3.000 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 4
11 1 58 VAL HA 1 61 SER H 3.000 . 3.500 3.308 3.308 3.308 . 0 0 "[ ]" 4
12 1 59 GLN HA 1 62 MET H 3.000 . 3.500 3.557 3.557 3.557 0.057 1 0 "[ ]" 4
13 1 60 ASP HA 1 63 LYS H 3.000 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 4
14 1 61 SER HA 1 64 TYR H 3.000 . 3.500 3.477 3.477 3.477 . 0 0 "[ ]" 4
15 1 62 MET HA 1 65 LEU H 3.000 . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 4
16 1 63 LYS HA 1 66 ASP H 3.000 . 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 4
17 1 64 TYR HA 1 67 GLN H 3.000 . 3.500 3.547 3.547 3.547 0.047 1 0 "[ ]" 4
18 1 65 LEU HA 1 68 LYS H 3.000 . 3.500 3.244 3.244 3.244 . 0 0 "[ ]" 4
19 1 56 LYS HA 1 60 ASP H 3.500 . 4.000 4.025 4.025 4.025 0.025 1 0 "[ ]" 4
20 1 58 VAL HA 1 62 MET H 3.500 . 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 4
21 1 59 GLN HA 1 63 LYS H 3.500 . 4.000 3.812 3.812 3.812 . 0 0 "[ ]" 4
22 1 60 ASP HA 1 64 TYR H 3.500 . 4.000 3.709 3.709 3.709 . 0 0 "[ ]" 4
23 1 62 MET HA 1 66 ASP H 3.500 . 4.000 3.748 3.748 3.748 . 0 0 "[ ]" 4
24 1 63 LYS HA 1 67 GLN H 3.500 . 4.000 3.735 3.735 3.735 . 0 0 "[ ]" 4
25 1 20 LEU H 1 22 ARG H 3.500 . 4.000 3.910 3.910 3.910 . 0 0 "[ ]" 4
26 1 21 GLN H 1 23 LEU H 4.500 . 5.000 3.894 3.894 3.894 . 0 0 "[ ]" 4
27 1 45 LEU H 1 47 LYS H 4.500 . 5.000 3.081 3.081 3.081 . 0 0 "[ ]" 4
28 1 56 LYS H 1 58 VAL H 4.500 . 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 4
29 1 57 TRP H 1 59 GLN H 3.500 . 4.000 4.039 4.039 4.039 0.039 1 0 "[ ]" 4
30 1 58 VAL H 1 60 ASP H 3.500 . 4.000 4.016 4.016 4.016 0.016 1 0 "[ ]" 4
31 1 59 GLN H 1 61 SER H 4.500 . 5.000 3.770 3.770 3.770 . 0 0 "[ ]" 4
32 1 58 VAL H 1 61 SER H 4.500 . 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 4
33 1 19 PRO HB2 1 21 GLN H 3.000 . 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 4
34 1 34 CYS HB3 1 36 GLN H 5.000 . 5.500 2.659 2.659 2.659 . 0 0 "[ ]" 4
35 1 34 CYS HB2 1 36 GLN H 5.000 . 5.500 3.998 3.998 3.998 . 0 0 "[ ]" 4
36 1 43 THR HB 1 45 LEU H 3.500 . 4.000 3.534 3.534 3.534 . 0 0 "[ ]" 4
37 1 58 VAL HA 1 61 SER HB3 3.000 . 3.500 3.500 3.500 3.500 0.000 1 0 "[ ]" 4
38 1 58 VAL HA 1 61 SER HB2 2.300 . 2.800 2.022 2.022 2.022 . 0 0 "[ ]" 4
39 1 57 TRP HA 1 60 ASP HB3 3.000 . 3.500 3.258 3.258 3.258 . 0 0 "[ ]" 4
40 1 57 TRP HA 1 60 ASP HB2 3.000 . 3.500 3.256 3.256 3.256 . 0 0 "[ ]" 4
41 1 60 ASP HA 1 63 LYS QB 3.000 . 4.500 2.560 2.560 2.560 . 0 0 "[ ]" 4
42 1 61 SER HA 1 64 TYR QB 3.000 . 4.500 2.373 2.373 2.373 . 0 0 "[ ]" 4
43 1 63 LYS HA 1 66 ASP HB3 3.500 . 4.000 3.558 3.558 3.558 . 0 0 "[ ]" 4
44 1 63 LYS HA 1 66 ASP HB2 3.500 . 4.000 2.174 2.174 2.174 . 0 0 "[ ]" 4
45 1 20 LEU HA 1 23 LEU MD1 2.300 . 3.300 2.443 2.443 2.443 . 0 0 "[ ]" 4
46 1 20 LEU HA 1 23 LEU MD2 4.500 . 5.500 4.479 4.479 4.479 . 0 0 "[ ]" 4
47 1 62 MET HA 1 65 LEU MD1 3.500 2.300 4.500 3.420 3.420 3.420 . 0 0 "[ ]" 4
48 1 26 TYR QD 1 28 ARG H 3.500 . 6.000 4.205 4.205 4.205 . 0 0 "[ ]" 4
49 1 29 ILE MG 1 31 SER H 3.000 . 4.000 2.538 2.538 2.538 . 0 0 "[ ]" 4
50 1 29 ILE MG 1 31 SER HB3 4.500 . 5.500 3.863 3.863 3.863 . 0 0 "[ ]" 4
51 1 29 ILE MG 1 31 SER HB2 4.500 . 5.500 3.414 3.414 3.414 . 0 0 "[ ]" 4
52 1 58 VAL MG1 1 62 MET H 3.500 . 4.500 3.596 3.596 3.596 . 0 0 "[ ]" 4
53 1 55 LYS H 1 58 VAL MG2 3.500 . 4.500 3.674 3.674 3.674 . 0 0 "[ ]" 4
54 1 55 LYS H 1 58 VAL MG1 3.500 . 4.500 3.643 3.643 3.643 . 0 0 "[ ]" 4
55 1 55 LYS H 1 58 VAL HB 3.000 . 3.500 2.684 2.684 2.684 . 0 0 "[ ]" 4
56 1 55 LYS HB3 1 58 VAL H 3.500 . 4.000 2.204 2.204 2.204 . 0 0 "[ ]" 4
57 1 55 LYS HB2 1 58 VAL H 3.500 . 4.000 3.031 3.031 3.031 . 0 0 "[ ]" 4
58 1 10 CYS QB 1 13 LEU MD2 3.500 . 5.000 2.704 2.704 2.704 . 0 0 "[ ]" 4
59 1 9 CYS HB2 1 11 PHE HZ 3.500 . 4.000 3.608 3.608 3.608 . 0 0 "[ ]" 4
60 1 9 CYS HB3 1 11 PHE HZ 6.000 . 6.500 4.018 4.018 4.018 . 0 0 "[ ]" 4
61 1 26 TYR QE 1 28 ARG QB 3.000 . 6.000 3.168 3.168 3.168 . 0 0 "[ ]" 4
62 1 31 SER HB3 1 34 CYS H 3.500 . 4.000 3.194 3.194 3.194 . 0 0 "[ ]" 4
63 1 55 LYS HA 1 57 TRP HE1 5.000 . 5.500 5.060 5.060 5.060 . 0 0 "[ ]" 4
64 1 55 LYS QB 1 57 TRP HE1 3.000 . 4.000 3.149 3.149 3.149 . 0 0 "[ ]" 4
65 1 57 TRP HE3 1 61 SER HG 3.000 . 3.500 2.335 2.335 2.335 . 0 0 "[ ]" 4
66 1 57 TRP HE3 1 61 SER HB2 3.500 . 4.000 3.693 3.693 3.693 . 0 0 "[ ]" 4
67 1 57 TRP HZ3 1 61 SER HB2 5.000 . 5.500 4.650 4.650 4.650 . 0 0 "[ ]" 4
68 1 9 CYS HB2 1 11 PHE QD 3.500 . 6.000 3.362 3.362 3.362 . 0 0 "[ ]" 4
69 1 9 CYS HB3 1 11 PHE QE 3.500 . 6.000 3.834 3.834 3.834 . 0 0 "[ ]" 4
70 1 9 CYS HB2 1 11 PHE QE 3.500 . 6.000 2.782 2.782 2.782 . 0 0 "[ ]" 4
71 1 39 VAL MG1 1 41 PHE QD 3.500 . 6.000 3.692 3.692 3.692 . 0 0 "[ ]" 4
72 1 39 VAL MG1 1 41 PHE QE 3.000 . 5.500 3.186 3.186 3.186 . 0 0 "[ ]" 4
73 1 61 SER HA 1 64 TYR QD 3.500 . 6.000 3.576 3.576 3.576 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 197
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 0.651
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0124
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0362
_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 ALA 0.000 0.000 . 0 "[ ]"
1 5 VAL 0.000 0.000 . 0 "[ ]"
1 7 THR 0.013 0.013 1 0 "[ ]"
1 8 THR 0.000 0.000 . 0 "[ ]"
1 9 CYS 0.010 0.010 1 0 "[ ]"
1 12 ASN 0.000 0.000 . 0 "[ ]"
1 13 LEU 0.000 0.000 . 0 "[ ]"
1 14 ALA 0.000 0.000 . 0 "[ ]"
1 15 ASN 0.000 0.000 . 0 "[ ]"
1 16 ARG 0.000 0.000 . 0 "[ ]"
1 17 LYS 0.000 0.000 . 0 "[ ]"
1 18 ILE 0.000 0.000 . 0 "[ ]"
1 19 PRO 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 21 GLN 0.007 0.007 1 0 "[ ]"
1 22 ARG 0.028 0.028 1 0 "[ ]"
1 23 LEU 0.000 0.000 . 0 "[ ]"
1 24 GLU 0.000 0.000 . 0 "[ ]"
1 25 SER 0.000 0.000 . 0 "[ ]"
1 26 TYR 0.005 0.005 1 0 "[ ]"
1 27 ARG 0.000 0.000 . 0 "[ ]"
1 28 ARG 0.000 0.000 . 0 "[ ]"
1 29 ILE 0.000 0.000 . 0 "[ ]"
1 30 THR 0.000 0.000 . 0 "[ ]"
1 31 SER 0.073 0.073 1 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 33 LYS 0.000 0.000 . 0 "[ ]"
1 34 CYS 0.000 0.000 . 0 "[ ]"
1 36 GLN 0.000 0.000 . 0 "[ ]"
1 38 ALA 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 ILE 0.000 0.000 . 0 "[ ]"
1 41 PHE 0.000 0.000 . 0 "[ ]"
1 42 LYS 0.000 0.000 . 0 "[ ]"
1 43 THR 0.000 0.000 . 0 "[ ]"
1 44 LYS 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.061 0.061 1 0 "[ ]"
1 46 ALA 0.000 0.000 . 0 "[ ]"
1 47 LYS 0.000 0.000 . 0 "[ ]"
1 48 ASP 0.000 0.000 . 0 "[ ]"
1 49 ILE 0.000 0.000 . 0 "[ ]"
1 50 CYS 0.000 0.000 . 0 "[ ]"
1 51 ALA 0.000 0.000 . 0 "[ ]"
1 52 ASP 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 LYS 0.000 0.000 . 0 "[ ]"
1 56 LYS 0.074 0.074 1 0 "[ ]"
1 57 TRP 0.060 0.060 1 0 "[ ]"
1 58 VAL 0.000 0.000 . 0 "[ ]"
1 59 GLN 0.033 0.033 1 0 "[ ]"
1 60 ASP 0.046 0.046 1 0 "[ ]"
1 61 SER 0.029 0.029 1 0 "[ ]"
1 62 MET 0.026 0.026 1 0 "[ ]"
1 63 LYS 0.034 0.034 1 0 "[ ]"
1 64 TYR 0.019 0.019 1 0 "[ ]"
1 65 LEU 0.037 0.037 1 0 "[ ]"
1 66 ASP 0.027 0.027 1 0 "[ ]"
1 67 GLN 0.070 0.070 1 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 THR H 1 8 THR HA 3.000 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 5
2 1 9 CYS H 1 9 CYS HA 3.000 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 5
3 1 17 LYS H 1 17 LYS HA 3.000 . 3.500 2.943 2.943 2.943 . 0 0 "[ ]" 5
4 1 20 LEU H 1 20 LEU HA 3.000 . 3.500 2.891 2.891 2.891 . 0 0 "[ ]" 5
5 1 21 GLN H 1 21 GLN HA 2.300 . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 5
6 1 23 LEU H 1 23 LEU HA 3.000 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 5
7 1 25 SER H 1 25 SER HA 3.000 . 3.500 2.850 2.850 2.850 . 0 0 "[ ]" 5
8 1 30 THR H 1 30 THR HA 3.000 . 3.500 2.877 2.877 2.877 . 0 0 "[ ]" 5
9 1 31 SER H 1 31 SER HA 2.300 . 2.800 2.873 2.873 2.873 0.073 1 0 "[ ]" 5
10 1 32 GLY H 1 32 GLY QA 2.300 . 3.300 2.316 2.316 2.316 . 0 0 "[ ]" 5
11 1 33 LYS H 1 33 LYS HA 3.000 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 5
12 1 38 ALA H 1 38 ALA HA 3.000 . 3.500 2.894 2.894 2.894 . 0 0 "[ ]" 5
13 1 45 LEU H 1 45 LEU HA 3.000 . 3.500 2.956 2.956 2.956 . 0 0 "[ ]" 5
14 1 46 ALA H 1 46 ALA HA 2.300 . 2.800 2.295 2.295 2.295 . 0 0 "[ ]" 5
15 1 47 LYS H 1 47 LYS HA 3.000 . 3.500 2.955 2.955 2.955 . 0 0 "[ ]" 5
16 1 48 ASP H 1 48 ASP HA 3.000 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 5
17 1 51 ALA H 1 51 ALA HA 3.000 . 3.500 2.928 2.928 2.928 . 0 0 "[ ]" 5
18 1 54 LYS H 1 54 LYS HA 3.000 . 3.500 2.955 2.955 2.955 . 0 0 "[ ]" 5
19 1 55 LYS H 1 55 LYS HA 3.000 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 5
20 1 56 LYS H 1 56 LYS HA 2.300 . 2.800 2.874 2.874 2.874 0.074 1 0 "[ ]" 5
21 1 57 TRP H 1 57 TRP HA 2.300 . 2.800 2.860 2.860 2.860 0.060 1 0 "[ ]" 5
22 1 58 VAL H 1 58 VAL HA 3.000 . 3.500 2.884 2.884 2.884 . 0 0 "[ ]" 5
23 1 59 GLN H 1 59 GLN HA 2.300 . 2.800 2.833 2.833 2.833 0.033 1 0 "[ ]" 5
24 1 60 ASP H 1 60 ASP HA 2.300 . 2.800 2.846 2.846 2.846 0.046 1 0 "[ ]" 5
25 1 61 SER H 1 61 SER HA 2.300 . 2.800 2.829 2.829 2.829 0.029 1 0 "[ ]" 5
26 1 62 MET H 1 62 MET HA 2.300 . 2.800 2.826 2.826 2.826 0.026 1 0 "[ ]" 5
27 1 63 LYS H 1 63 LYS HA 2.300 . 2.800 2.834 2.834 2.834 0.034 1 0 "[ ]" 5
28 1 64 TYR H 1 64 TYR HA 2.300 . 2.800 2.819 2.819 2.819 0.019 1 0 "[ ]" 5
29 1 65 LEU H 1 65 LEU HA 2.300 . 2.800 2.837 2.837 2.837 0.037 1 0 "[ ]" 5
30 1 66 ASP H 1 66 ASP HA 2.300 . 2.800 2.827 2.827 2.827 0.027 1 0 "[ ]" 5
31 1 67 GLN H 1 67 GLN HA 2.300 . 2.800 2.870 2.870 2.870 0.070 1 0 "[ ]" 5
32 1 68 LYS H 1 68 LYS HA 2.300 . 2.800 2.799 2.799 2.799 . 0 0 "[ ]" 5
33 1 3 ALA H 1 3 ALA MB 3.000 . 4.000 2.256 2.256 2.256 . 0 0 "[ ]" 5
34 1 5 VAL H 1 5 VAL HB 3.000 . 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 5
35 1 7 THR H 1 7 THR HB 3.000 . 3.500 3.513 3.513 3.513 0.013 1 0 "[ ]" 5
36 1 8 THR H 1 8 THR HB 3.500 2.300 4.000 2.862 2.862 2.862 . 0 0 "[ ]" 5
37 1 9 CYS H 1 9 CYS HB3 3.500 . 4.000 3.871 3.871 3.871 . 0 0 "[ ]" 5
38 1 9 CYS H 1 9 CYS HB2 2.300 . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 5
39 1 13 LEU H 1 13 LEU HB2 3.000 . 3.500 2.528 2.528 2.528 . 0 0 "[ ]" 5
40 1 13 LEU H 1 13 LEU HB3 4.000 2.800 4.500 3.601 3.601 3.601 . 0 0 "[ ]" 5
41 1 14 ALA H 1 14 ALA MB 3.000 . 4.000 2.182 2.182 2.182 . 0 0 "[ ]" 5
42 1 15 ASN H 1 15 ASN QB 3.000 . 4.500 2.240 2.240 2.240 . 0 0 "[ ]" 5
43 1 16 ARG H 1 16 ARG QB 2.300 . 3.800 2.349 2.349 2.349 . 0 0 "[ ]" 5
44 1 17 LYS H 1 17 LYS QB 2.300 . 3.800 2.870 2.870 2.870 . 0 0 "[ ]" 5
45 1 18 ILE H 1 18 ILE HB 3.000 . 3.500 2.538 2.538 2.538 . 0 0 "[ ]" 5
46 1 20 LEU H 1 20 LEU HB3 3.500 . 4.000 3.631 3.631 3.631 . 0 0 "[ ]" 5
47 1 20 LEU H 1 20 LEU HB2 2.300 . 2.800 2.602 2.602 2.602 . 0 0 "[ ]" 5
48 1 21 GLN H 1 21 GLN HB3 3.000 . 3.500 2.786 2.786 2.786 . 0 0 "[ ]" 5
49 1 21 GLN H 1 21 GLN HB2 3.000 . 3.500 2.343 2.343 2.343 . 0 0 "[ ]" 5
50 1 22 ARG H 1 22 ARG HB3 2.300 . 2.800 2.828 2.828 2.828 0.028 1 0 "[ ]" 5
51 1 22 ARG H 1 22 ARG HB2 2.300 . 2.800 2.443 2.443 2.443 . 0 0 "[ ]" 5
52 1 23 LEU H 1 23 LEU HB3 4.000 . 4.500 3.425 3.425 3.425 . 0 0 "[ ]" 5
53 1 23 LEU H 1 23 LEU HB2 3.000 . 3.500 2.130 2.130 2.130 . 0 0 "[ ]" 5
54 1 24 GLU H 1 24 GLU HB3 3.000 . 3.500 2.742 2.742 2.742 . 0 0 "[ ]" 5
55 1 24 GLU H 1 24 GLU HB2 3.000 . 3.500 2.925 2.925 2.925 . 0 0 "[ ]" 5
56 1 26 TYR H 1 26 TYR HB3 3.000 . 3.500 3.289 3.289 3.289 . 0 0 "[ ]" 5
57 1 26 TYR H 1 26 TYR HB2 3.500 . 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 5
58 1 27 ARG H 1 27 ARG HB3 3.500 . 4.000 2.800 2.800 2.800 . 0 0 "[ ]" 5
59 1 27 ARG H 1 27 ARG HB2 3.500 . 4.000 3.004 3.004 3.004 . 0 0 "[ ]" 5
60 1 28 ARG H 1 28 ARG HB3 3.000 . 3.500 2.591 2.591 2.591 . 0 0 "[ ]" 5
61 1 28 ARG H 1 28 ARG HB2 3.000 . 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 5
62 1 29 ILE H 1 29 ILE HB 2.300 . 2.800 2.681 2.681 2.681 . 0 0 "[ ]" 5
63 1 30 THR H 1 30 THR HB 3.500 . 4.000 3.152 3.152 3.152 . 0 0 "[ ]" 5
64 1 31 SER H 1 31 SER HB3 3.500 . 4.000 2.810 2.810 2.810 . 0 0 "[ ]" 5
65 1 31 SER H 1 31 SER HB2 3.500 . 4.000 2.361 2.361 2.361 . 0 0 "[ ]" 5
66 1 34 CYS H 1 34 CYS HB3 3.500 . 4.000 3.578 3.578 3.578 . 0 0 "[ ]" 5
67 1 34 CYS H 1 34 CYS HB2 3.000 . 3.500 2.316 2.316 2.316 . 0 0 "[ ]" 5
68 1 36 GLN H 1 36 GLN QB 3.000 . 4.500 3.136 3.136 3.136 . 0 0 "[ ]" 5
69 1 38 ALA H 1 38 ALA MB 3.000 . 4.000 2.782 2.782 2.782 . 0 0 "[ ]" 5
70 1 39 VAL H 1 39 VAL HB 3.000 . 3.500 2.725 2.725 2.725 . 0 0 "[ ]" 5
71 1 40 ILE H 1 40 ILE HB 3.000 . 3.500 2.796 2.796 2.796 . 0 0 "[ ]" 5
72 1 41 PHE H 1 41 PHE HB2 3.000 . 3.500 2.468 2.468 2.468 . 0 0 "[ ]" 5
73 1 41 PHE H 1 41 PHE HB3 3.500 . 4.000 3.678 3.678 3.678 . 0 0 "[ ]" 5
74 1 42 LYS H 1 42 LYS QB 3.000 . 4.500 2.713 2.713 2.713 . 0 0 "[ ]" 5
75 1 44 LYS H 1 44 LYS QB 2.300 . 3.800 2.343 2.343 2.343 . 0 0 "[ ]" 5
76 1 45 LEU H 1 45 LEU HB3 3.000 . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 5
77 1 45 LEU H 1 45 LEU HB2 3.500 . 4.000 2.465 2.465 2.465 . 0 0 "[ ]" 5
78 1 46 ALA H 1 46 ALA MB 3.000 . 4.000 2.892 2.892 2.892 . 0 0 "[ ]" 5
79 1 47 LYS H 1 47 LYS QB 3.000 . 4.500 2.674 2.674 2.674 . 0 0 "[ ]" 5
80 1 48 ASP H 1 48 ASP HB3 3.500 . 4.000 3.759 3.759 3.759 . 0 0 "[ ]" 5
81 1 48 ASP H 1 48 ASP HB2 2.300 . 2.800 2.677 2.677 2.677 . 0 0 "[ ]" 5
82 1 49 ILE H 1 49 ILE HB 3.000 . 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 5
83 1 50 CYS H 1 50 CYS HB2 3.000 . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 5
84 1 50 CYS H 1 50 CYS HB3 3.500 . 4.000 3.631 3.631 3.631 . 0 0 "[ ]" 5
85 1 51 ALA H 1 51 ALA MB 3.000 . 4.000 2.650 2.650 2.650 . 0 0 "[ ]" 5
86 1 52 ASP H 1 52 ASP HB3 3.000 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 5
87 1 52 ASP H 1 52 ASP HB2 3.000 . 3.500 2.320 2.320 2.320 . 0 0 "[ ]" 5
88 1 54 LYS H 1 54 LYS QB 3.000 . 4.500 2.437 2.437 2.437 . 0 0 "[ ]" 5
89 1 56 LYS H 1 56 LYS QB 2.300 . 3.800 2.356 2.356 2.356 . 0 0 "[ ]" 5
90 1 57 TRP H 1 57 TRP HB3 2.300 . 2.800 2.698 2.698 2.698 . 0 0 "[ ]" 5
91 1 57 TRP H 1 57 TRP HB2 3.500 . 4.500 3.635 3.635 3.635 . 0 0 "[ ]" 5
92 1 58 VAL H 1 58 VAL HB 2.300 . 2.800 2.537 2.537 2.537 . 0 0 "[ ]" 5
93 1 59 GLN H 1 59 GLN QB 3.000 . 4.000 2.181 2.181 2.181 . 0 0 "[ ]" 5
94 1 60 ASP H 1 60 ASP HB3 3.000 . 3.500 2.998 2.998 2.998 . 0 0 "[ ]" 5
95 1 60 ASP H 1 60 ASP HB2 3.000 . 3.500 2.203 2.203 2.203 . 0 0 "[ ]" 5
96 1 61 SER H 1 61 SER HB3 3.500 . 4.000 3.534 3.534 3.534 . 0 0 "[ ]" 5
97 1 65 LEU H 1 65 LEU HB3 3.500 . 4.000 3.569 3.569 3.569 . 0 0 "[ ]" 5
98 1 65 LEU H 1 65 LEU HB2 3.000 . 3.500 2.328 2.328 2.328 . 0 0 "[ ]" 5
99 1 66 ASP H 1 66 ASP HB3 3.500 . 4.000 3.542 3.542 3.542 . 0 0 "[ ]" 5
100 1 66 ASP H 1 66 ASP HB2 2.300 . 2.800 2.255 2.255 2.255 . 0 0 "[ ]" 5
101 1 5 VAL H 1 5 VAL MG1 3.500 . 4.500 2.022 2.022 2.022 . 0 0 "[ ]" 5
102 1 5 VAL H 1 5 VAL MG2 3.500 . 4.500 3.848 3.848 3.848 . 0 0 "[ ]" 5
103 1 7 THR H 1 7 THR MG 4.000 . 5.000 2.277 2.277 2.277 . 0 0 "[ ]" 5
104 1 8 THR H 1 8 THR MG 4.000 . 5.000 3.939 3.939 3.939 . 0 0 "[ ]" 5
105 1 13 LEU H 1 13 LEU HG 3.000 . 3.500 2.052 2.052 2.052 . 0 0 "[ ]" 5
106 1 16 ARG H 1 16 ARG QG 3.000 . 4.500 2.529 2.529 2.529 . 0 0 "[ ]" 5
107 1 17 LYS H 1 17 LYS HG3 3.500 . 4.000 2.626 2.626 2.626 . 0 0 "[ ]" 5
108 1 17 LYS H 1 17 LYS HG2 3.500 . 4.000 1.984 1.984 1.984 . 0 0 "[ ]" 5
109 1 18 ILE H 1 18 ILE MG 3.500 . 4.500 3.787 3.787 3.787 . 0 0 "[ ]" 5
110 1 20 LEU H 1 20 LEU HG 3.000 . 3.500 2.030 2.030 2.030 . 0 0 "[ ]" 5
111 1 21 GLN H 1 21 GLN QG 3.000 . 4.500 3.944 3.944 3.944 . 0 0 "[ ]" 5
112 1 22 ARG H 1 22 ARG QG 3.000 . 4.500 3.989 3.989 3.989 . 0 0 "[ ]" 5
113 1 23 LEU H 1 23 LEU HG 3.000 . 3.500 3.227 3.227 3.227 . 0 0 "[ ]" 5
114 1 24 GLU H 1 24 GLU QG 4.000 . 5.500 4.084 4.084 4.084 . 0 0 "[ ]" 5
115 1 27 ARG H 1 27 ARG QG 3.500 . 5.000 4.171 4.171 4.171 . 0 0 "[ ]" 5
116 1 28 ARG H 1 28 ARG QG 4.000 . 5.500 3.988 3.988 3.988 . 0 0 "[ ]" 5
117 1 29 ILE H 1 29 ILE MG 3.500 . 4.500 3.866 3.866 3.866 . 0 0 "[ ]" 5
118 1 29 ILE H 1 29 ILE HG13 4.500 . 5.000 2.570 2.570 2.570 . 0 0 "[ ]" 5
119 1 29 ILE H 1 29 ILE HG12 4.500 . 5.000 3.797 3.797 3.797 . 0 0 "[ ]" 5
120 1 30 THR H 1 30 THR MG 4.000 . 5.000 4.039 4.039 4.039 . 0 0 "[ ]" 5
121 1 40 ILE H 1 40 ILE MG 4.000 . 5.000 3.914 3.914 3.914 . 0 0 "[ ]" 5
122 1 40 ILE H 1 40 ILE QG 4.000 . 5.500 2.601 2.601 2.601 . 0 0 "[ ]" 5
123 1 43 THR H 1 43 THR MG 2.300 . 3.300 2.194 2.194 2.194 . 0 0 "[ ]" 5
124 1 49 ILE H 1 49 ILE HG13 4.500 . 5.000 2.920 2.920 2.920 . 0 0 "[ ]" 5
125 1 49 ILE H 1 49 ILE HG12 4.500 . 5.000 4.020 4.020 4.020 . 0 0 "[ ]" 5
126 1 49 ILE H 1 49 ILE MG 4.500 2.800 5.500 3.953 3.953 3.953 . 0 0 "[ ]" 5
127 1 39 VAL H 1 39 VAL MG1 4.000 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 5
128 1 39 VAL H 1 39 VAL MG2 3.000 . 4.000 2.802 2.802 2.802 . 0 0 "[ ]" 5
129 1 56 LYS H 1 56 LYS QG 4.000 . 5.500 2.460 2.460 2.460 . 0 0 "[ ]" 5
130 1 58 VAL H 1 58 VAL MG2 3.000 . 4.000 2.174 2.174 2.174 . 0 0 "[ ]" 5
131 1 58 VAL H 1 58 VAL MG1 3.500 . 4.500 3.781 3.781 3.781 . 0 0 "[ ]" 5
132 1 65 LEU H 1 65 LEU HG 2.300 . 2.800 2.476 2.476 2.476 . 0 0 "[ ]" 5
133 1 13 LEU H 1 13 LEU MD1 3.000 . 4.000 3.255 3.255 3.255 . 0 0 "[ ]" 5
134 1 20 LEU H 1 20 LEU MD1 3.500 . 4.500 3.423 3.423 3.423 . 0 0 "[ ]" 5
135 1 20 LEU H 1 20 LEU MD2 3.500 . 4.500 3.364 3.364 3.364 . 0 0 "[ ]" 5
136 1 23 LEU H 1 23 LEU MD1 4.500 . 5.500 3.842 3.842 3.842 . 0 0 "[ ]" 5
137 1 23 LEU H 1 23 LEU MD2 4.500 . 5.500 4.115 4.115 4.115 . 0 0 "[ ]" 5
138 1 29 ILE H 1 29 ILE MD 4.500 . 5.500 3.832 3.832 3.832 . 0 0 "[ ]" 5
139 1 57 TRP H 1 57 TRP HD1 3.000 . 3.500 2.174 2.174 2.174 . 0 0 "[ ]" 5
140 1 57 TRP QB 1 57 TRP HD1 3.000 . 4.000 2.620 2.620 2.620 . 0 0 "[ ]" 5
141 1 65 LEU H 1 65 LEU MD1 4.500 . 5.500 3.577 3.577 3.577 . 0 0 "[ ]" 5
142 1 65 LEU H 1 65 LEU MD2 3.500 . 4.500 3.650 3.650 3.650 . 0 0 "[ ]" 5
143 1 9 CYS HA 1 9 CYS HB3 2.300 . 2.800 2.419 2.419 2.419 . 0 0 "[ ]" 5
144 1 12 ASN HA 1 12 ASN HB3 3.000 . 3.500 3.021 3.021 3.021 . 0 0 "[ ]" 5
145 1 12 ASN HA 1 12 ASN HB2 3.000 . 3.500 2.546 2.546 2.546 . 0 0 "[ ]" 5
146 1 13 LEU HA 1 13 LEU HB3 3.000 . 3.500 2.463 2.463 2.463 . 0 0 "[ ]" 5
147 1 19 PRO HA 1 19 PRO HB3 3.000 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 5
148 1 21 GLN HA 1 21 GLN HB2 2.300 . 2.800 2.574 2.574 2.574 . 0 0 "[ ]" 5
149 1 23 LEU HA 1 23 LEU HB3 2.300 . 2.800 2.748 2.748 2.748 . 0 0 "[ ]" 5
150 1 25 SER HA 1 25 SER HB3 3.000 . 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 5
151 1 25 SER HA 1 25 SER HB2 3.000 . 3.500 2.686 2.686 2.686 . 0 0 "[ ]" 5
152 1 26 TYR HA 1 26 TYR HB3 2.300 . 2.800 2.529 2.529 2.529 . 0 0 "[ ]" 5
153 1 26 TYR HA 1 26 TYR HB2 2.300 . 2.800 2.382 2.382 2.382 . 0 0 "[ ]" 5
154 1 34 CYS HA 1 34 CYS HB3 2.300 . 2.800 2.573 2.573 2.573 . 0 0 "[ ]" 5
155 1 41 PHE HA 1 41 PHE HB3 3.000 . 3.500 2.560 2.560 2.560 . 0 0 "[ ]" 5
156 1 45 LEU HA 1 45 LEU HB3 3.000 . 3.500 2.698 2.698 2.698 . 0 0 "[ ]" 5
157 1 48 ASP HA 1 48 ASP HB3 2.300 . 2.800 2.406 2.406 2.406 . 0 0 "[ ]" 5
158 1 50 CYS HA 1 50 CYS HB3 3.000 . 3.500 2.536 2.536 2.536 . 0 0 "[ ]" 5
159 1 57 TRP HA 1 57 TRP HB3 2.300 . 2.800 2.439 2.439 2.439 . 0 0 "[ ]" 5
160 1 57 TRP HA 1 57 TRP HB2 2.300 . 2.800 2.465 2.465 2.465 . 0 0 "[ ]" 5
161 1 60 ASP HA 1 60 ASP HB2 2.300 . 2.800 2.717 2.717 2.717 . 0 0 "[ ]" 5
162 1 61 SER HA 1 61 SER HB3 3.000 . 3.500 2.631 2.631 2.631 . 0 0 "[ ]" 5
163 1 65 LEU HA 1 65 LEU HB3 2.300 . 2.800 2.565 2.565 2.565 . 0 0 "[ ]" 5
164 1 66 ASP HA 1 66 ASP HB3 2.300 . 2.800 2.629 2.629 2.629 . 0 0 "[ ]" 5
165 1 18 ILE HA 1 18 ILE MG 2.300 . 3.300 2.341 2.341 2.341 . 0 0 "[ ]" 5
166 1 29 ILE HA 1 29 ILE MG 3.000 . 4.000 2.183 2.183 2.183 . 0 0 "[ ]" 5
167 1 49 ILE HA 1 49 ILE MG 3.000 . 4.000 2.250 2.250 2.250 . 0 0 "[ ]" 5
168 1 59 GLN HA 1 59 GLN QG 3.000 . 4.000 2.051 2.051 2.051 . 0 0 "[ ]" 5
169 1 58 VAL HA 1 58 VAL MG1 2.300 . 3.300 2.243 2.243 2.243 . 0 0 "[ ]" 5
170 1 58 VAL HA 1 58 VAL MG2 2.300 . 3.300 2.366 2.366 2.366 . 0 0 "[ ]" 5
171 1 39 VAL HA 1 39 VAL MG1 3.000 . 4.000 2.304 2.304 2.304 . 0 0 "[ ]" 5
172 1 39 VAL HA 1 39 VAL MG2 3.500 . 4.500 2.429 2.429 2.429 . 0 0 "[ ]" 5
173 1 13 LEU HA 1 13 LEU MD1 3.500 . 4.500 3.848 3.848 3.848 . 0 0 "[ ]" 5
174 1 13 LEU HA 1 13 LEU MD2 3.000 . 4.000 2.068 2.068 2.068 . 0 0 "[ ]" 5
175 1 20 LEU HA 1 20 LEU MD1 4.500 . 5.500 3.877 3.877 3.877 . 0 0 "[ ]" 5
176 1 20 LEU HA 1 20 LEU MD2 3.000 . 4.000 1.971 1.971 1.971 . 0 0 "[ ]" 5
177 1 23 LEU HA 1 23 LEU MD1 4.500 . 5.500 3.714 3.714 3.714 . 0 0 "[ ]" 5
178 1 23 LEU HA 1 23 LEU MD2 3.000 . 4.000 2.129 2.129 2.129 . 0 0 "[ ]" 5
179 1 45 LEU HA 1 45 LEU MD2 3.000 . 4.000 2.421 2.421 2.421 . 0 0 "[ ]" 5
180 1 65 LEU HA 1 65 LEU MD2 3.000 . 4.000 2.022 2.022 2.022 . 0 0 "[ ]" 5
181 1 65 LEU HA 1 65 LEU MD1 4.500 . 5.500 3.758 3.758 3.758 . 0 0 "[ ]" 5
182 1 57 TRP HA 1 57 TRP HD1 4.000 . 4.500 4.301 4.301 4.301 . 0 0 "[ ]" 5
183 1 57 TRP HB3 1 57 TRP HD1 2.300 . 2.800 2.669 2.669 2.669 . 0 0 "[ ]" 5
184 1 57 TRP HB3 1 57 TRP HE3 4.000 . 4.500 4.127 4.127 4.127 . 0 0 "[ ]" 5
185 1 57 TRP HB2 1 57 TRP HE3 2.300 . 2.800 2.593 2.593 2.593 . 0 0 "[ ]" 5
186 1 26 TYR HB3 1 26 TYR QD 3.000 . 5.500 2.691 2.691 2.691 . 0 0 "[ ]" 5
187 1 26 TYR HB2 1 26 TYR QD 3.000 . 5.500 2.303 2.303 2.303 . 0 0 "[ ]" 5
188 1 26 TYR HA 1 26 TYR QD 3.500 . 6.000 3.661 3.661 3.661 . 0 0 "[ ]" 5
189 1 26 TYR H 1 26 TYR QD 3.000 . 5.500 1.990 1.990 1.990 . 0 0 "[ ]" 5
190 1 41 PHE H 1 41 PHE QD 3.500 . 6.000 3.559 3.559 3.559 . 0 0 "[ ]" 5
191 1 41 PHE HA 1 41 PHE QD 3.000 . 5.500 2.076 2.076 2.076 . 0 0 "[ ]" 5
192 1 41 PHE HB3 1 41 PHE QD 3.000 . 5.500 2.682 2.682 2.682 . 0 0 "[ ]" 5
193 1 41 PHE HB2 1 41 PHE QD 3.000 . 5.500 2.307 2.307 2.307 . 0 0 "[ ]" 5
194 1 41 PHE HA 1 41 PHE QE 4.500 . 7.000 4.187 4.187 4.187 . 0 0 "[ ]" 5
195 1 64 TYR H 1 64 TYR QD 5.000 2.800 7.500 4.179 4.179 4.179 . 0 0 "[ ]" 5
196 1 64 TYR HA 1 64 TYR QD 2.300 . 4.800 2.366 2.366 2.366 . 0 0 "[ ]" 5
197 1 64 TYR QB 1 64 TYR QD 2.300 . 4.800 2.160 2.160 2.160 . 0 0 "[ ]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.047
_Distance_constraint_stats_list.Viol_max 0.024
_Distance_constraint_stats_list.Viol_rms 0.0065
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0237
_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 27 ARG 0.023 0.023 1 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 ILE 0.023 0.023 1 0 "[ ]"
1 41 PHE 0.000 0.000 . 0 "[ ]"
1 43 THR 0.000 0.000 . 0 "[ ]"
1 47 LYS 0.000 0.000 . 0 "[ ]"
1 49 ILE 0.000 0.000 . 0 "[ ]"
1 51 ALA 0.000 0.000 . 0 "[ ]"
1 57 TRP 0.000 0.000 . 0 "[ ]"
1 58 VAL 0.024 0.024 1 0 "[ ]"
1 60 ASP 0.000 0.000 . 0 "[ ]"
1 61 SER 0.000 0.000 . 0 "[ ]"
1 62 MET 0.024 0.024 1 0 "[ ]"
1 63 LYS 0.000 0.000 . 0 "[ ]"
1 64 TYR 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.000 0.000 . 0 "[ ]"
1 66 ASP 0.000 0.000 . 0 "[ ]"
1 67 GLN 0.000 0.000 . 0 "[ ]"
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 27 ARG O 1 40 ILE H 2.200 . 2.400 2.029 2.029 2.029 . 0 0 "[ ]" 6
2 1 27 ARG O 1 40 ILE N 3.300 2.500 3.500 2.704 2.704 2.704 . 0 0 "[ ]" 6
3 1 27 ARG H 1 40 ILE O 2.200 . 2.400 1.677 1.677 1.677 0.023 1 0 "[ ]" 6
4 1 27 ARG N 1 40 ILE O 3.300 2.500 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 6
5 1 41 PHE O 1 49 ILE H 2.200 . 2.400 1.809 1.809 1.809 . 0 0 "[ ]" 6
6 1 41 PHE O 1 49 ILE N 3.300 2.500 3.500 2.661 2.661 2.661 . 0 0 "[ ]" 6
7 1 43 THR H 1 47 LYS O 2.200 . 2.400 2.240 2.240 2.240 . 0 0 "[ ]" 6
8 1 43 THR N 1 47 LYS O 3.300 2.500 3.500 3.177 3.177 3.177 . 0 0 "[ ]" 6
9 1 41 PHE H 1 49 ILE O 2.200 . 2.400 1.857 1.857 1.857 . 0 0 "[ ]" 6
10 1 41 PHE N 1 49 ILE O 3.300 2.500 3.500 2.763 2.763 2.763 . 0 0 "[ ]" 6
11 1 39 VAL O 1 51 ALA H 2.200 . 2.400 1.791 1.791 1.791 . 0 0 "[ ]" 6
12 1 39 VAL O 1 51 ALA N 3.300 2.500 3.500 2.645 2.645 2.645 . 0 0 "[ ]" 6
13 1 39 VAL H 1 51 ALA O 2.200 . 2.400 1.837 1.837 1.837 . 0 0 "[ ]" 6
14 1 39 VAL N 1 51 ALA O 3.300 2.500 3.500 2.767 2.767 2.767 . 0 0 "[ ]" 6
15 1 57 TRP O 1 61 SER H 2.200 . 2.700 2.010 2.010 2.010 . 0 0 "[ ]" 6
16 1 57 TRP O 1 61 SER N 3.300 2.500 3.800 2.788 2.788 2.788 . 0 0 "[ ]" 6
17 1 58 VAL O 1 62 MET H 2.200 . 2.400 1.676 1.676 1.676 0.024 1 0 "[ ]" 6
18 1 58 VAL O 1 62 MET N 3.300 2.500 3.500 2.640 2.640 2.640 . 0 0 "[ ]" 6
19 1 60 ASP O 1 64 TYR H 2.200 . 2.400 1.800 1.800 1.800 . 0 0 "[ ]" 6
20 1 60 ASP O 1 64 TYR N 3.300 2.500 3.500 2.595 2.595 2.595 . 0 0 "[ ]" 6
21 1 61 SER O 1 65 LEU H 2.200 . 2.400 1.889 1.889 1.889 . 0 0 "[ ]" 6
22 1 61 SER O 1 65 LEU N 3.300 2.500 3.500 2.859 2.859 2.859 . 0 0 "[ ]" 6
23 1 62 MET O 1 66 ASP H 2.200 . 2.400 1.742 1.742 1.742 . 0 0 "[ ]" 6
24 1 62 MET O 1 66 ASP N 3.300 2.500 3.500 2.657 2.657 2.657 . 0 0 "[ ]" 6
25 1 63 LYS O 1 67 GLN H 2.200 . 2.400 1.822 1.822 1.822 . 0 0 "[ ]" 6
26 1 63 LYS O 1 67 GLN N 3.300 2.500 3.500 2.601 2.601 2.601 . 0 0 "[ ]" 6
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