NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
401265 |
1vii   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vii
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 291
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 3.505
_Distance_constraint_stats_list.Viol_max 0.408
_Distance_constraint_stats_list.Viol_rms 0.0423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.0876
_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 1 MET 0.000 0.000 . 0 "[ ]"
1 2 LEU 0.042 0.042 1 0 "[ ]"
1 3 SER 0.000 0.000 . 0 "[ ]"
1 4 ASP 0.014 0.014 1 0 "[ ]"
1 5 GLU 0.000 0.000 . 0 "[ ]"
1 6 ASP 0.000 0.000 . 0 "[ ]"
1 7 PHE 0.259 0.111 1 0 "[ ]"
1 8 LYS 0.014 0.014 1 0 "[ ]"
1 9 ALA 0.000 0.000 . 0 "[ ]"
1 10 VAL 0.138 0.111 1 0 "[ ]"
1 11 PHE 0.092 0.092 1 0 "[ ]"
1 12 GLY 0.000 0.000 . 0 "[ ]"
1 13 MET 0.104 0.104 1 0 "[ ]"
1 14 THR 0.181 0.181 1 0 "[ ]"
1 15 ARG 0.466 0.212 1 0 "[ ]"
1 16 SER 0.000 0.000 . 0 "[ ]"
1 17 ALA 0.000 0.000 . 0 "[ ]"
1 18 PHE 0.454 0.181 1 0 "[ ]"
1 19 ALA 0.138 0.096 1 0 "[ ]"
1 20 ASN 0.014 0.014 1 0 "[ ]"
1 21 LEU 0.105 0.105 1 0 "[ ]"
1 22 PRO 0.140 0.105 1 0 "[ ]"
1 23 LEU 0.167 0.087 1 0 "[ ]"
1 24 TRP 0.407 0.111 1 0 "[ ]"
1 25 LYS 0.525 0.143 1 0 "[ ]"
1 26 GLN 0.481 0.198 1 0 "[ ]"
1 27 GLN 0.093 0.040 1 0 "[ ]"
1 28 ASN 0.095 0.057 1 0 "[ ]"
1 29 LEU 0.165 0.070 1 0 "[ ]"
1 30 LYS 0.156 0.131 1 0 "[ ]"
1 31 LYS 0.131 0.131 1 0 "[ ]"
1 32 GLU 0.000 0.000 . 0 "[ ]"
1 33 LYS 0.302 0.289 1 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.408 0.408 1 0 "[ ]"
1 36 PHE 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 22 PRO HB2 1 24 TRP H 3.800 . 4.500 2.913 2.913 2.913 . 0 0 "[ ]" 1
2 1 24 TRP HA 1 24 TRP HE3 3.800 . 4.500 4.215 4.215 4.215 . 0 0 "[ ]" 1
3 1 28 ASN HA 1 30 LYS H 3.800 . 4.500 3.867 3.867 3.867 . 0 0 "[ ]" 1
4 1 24 TRP H 1 26 GLN HG3 3.800 . 4.500 4.542 4.542 4.542 0.042 1 0 "[ ]" 1
5 1 28 ASN HA 1 32 GLU H 3.800 . 4.500 3.985 3.985 3.985 . 0 0 "[ ]" 1
6 1 14 THR HA 1 18 PHE H 3.800 . 4.500 4.681 4.681 4.681 0.181 1 0 "[ ]" 1
7 1 24 TRP H 1 24 TRP HE3 3.800 . 4.500 4.610 4.610 4.610 0.110 1 0 "[ ]" 1
8 1 22 PRO HG2 1 24 TRP HE1 3.800 . 4.500 4.004 4.004 4.004 . 0 0 "[ ]" 1
9 1 26 GLN HG2 1 27 GLN H 3.800 . 4.500 4.498 4.498 4.498 . 0 0 "[ ]" 1
10 1 22 PRO HG3 1 24 TRP HE1 3.800 . 4.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
11 1 13 MET HA 1 14 THR H 3.800 . 4.500 3.296 3.296 3.296 . 0 0 "[ ]" 1
12 1 27 GLN HA 1 31 LYS H 3.000 . 4.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
13 1 19 ALA HA 1 20 ASN H 3.000 . 4.000 3.000 3.000 3.000 . 0 0 "[ ]" 1
14 1 24 TRP HA 1 25 LYS H 3.000 . 4.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
15 1 36 PHE HA 1 36 PHE HB2 3.000 . 4.000 2.829 2.829 2.829 . 0 0 "[ ]" 1
16 1 24 TRP H 1 24 TRP HE1 3.000 . 4.000 4.012 4.012 4.012 0.012 1 0 "[ ]" 1
17 1 28 ASN HA 1 29 LEU H 3.000 . 4.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
18 1 7 PHE HA 1 10 VAL H 3.000 . 4.000 4.111 4.111 4.111 0.111 1 0 "[ ]" 1
19 1 29 LEU HA 1 33 LYS H 3.000 . 4.000 4.013 4.013 4.013 0.013 1 0 "[ ]" 1
20 1 4 ASP HA 1 8 LYS H 3.000 . 4.000 4.014 4.014 4.014 0.014 1 0 "[ ]" 1
21 1 10 VAL HA 1 11 PHE H 3.000 . 4.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
22 1 32 GLU H 1 32 GLU HG3 3.000 . 4.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
23 1 23 LEU HA 1 26 GLN HE21 3.000 . 4.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
24 1 23 LEU HA 1 24 TRP H 3.000 . 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
25 1 15 ARG H 1 15 ARG HG3 3.000 . 4.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
26 1 23 LEU HA 1 27 GLN H 3.000 . 4.000 4.040 4.040 4.040 0.040 1 0 "[ ]" 1
27 1 25 LYS HA 1 26 GLN H 3.000 . 4.000 3.487 3.487 3.487 . 0 0 "[ ]" 1
28 1 11 PHE HB3 1 12 GLY H 3.000 . 4.000 2.868 2.868 2.868 . 0 0 "[ ]" 1
29 1 3 SER H 1 6 ASP HB2 3.000 . 4.000 2.620 2.620 2.620 . 0 0 "[ ]" 1
30 1 24 TRP HE3 1 28 ASN HB2 3.000 . 4.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
31 1 6 ASP HA 1 9 ALA H 3.000 . 4.000 3.642 3.642 3.642 . 0 0 "[ ]" 1
32 1 24 TRP HE3 1 28 ASN HD22 3.000 . 4.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
33 1 22 PRO HB2 1 24 TRP HE1 3.000 . 4.000 2.801 2.801 2.801 . 0 0 "[ ]" 1
34 1 19 ALA HA 1 21 LEU H 3.000 . 4.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
35 1 25 LYS HA 1 29 LEU H 3.000 . 4.000 3.630 3.630 3.630 . 0 0 "[ ]" 1
36 1 30 LYS HA 1 33 LYS H 3.000 . 4.000 3.097 3.097 3.097 . 0 0 "[ ]" 1
37 1 6 ASP HA 1 7 PHE H 3.000 . 4.000 3.594 3.594 3.594 . 0 0 "[ ]" 1
38 1 23 LEU HA 1 26 GLN HG2 3.000 . 4.000 3.667 3.667 3.667 . 0 0 "[ ]" 1
39 1 28 ASN HB3 1 28 ASN HD22 3.000 . 4.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
40 1 35 LEU H 1 35 LEU HA 3.000 . 4.000 2.905 2.905 2.905 . 0 0 "[ ]" 1
41 1 3 SER H 1 3 SER HB3 3.000 . 4.000 3.082 3.082 3.082 . 0 0 "[ ]" 1
42 1 23 LEU HA 1 25 LYS H 3.000 . 4.000 4.087 4.087 4.087 0.087 1 0 "[ ]" 1
43 1 24 TRP HA 1 28 ASN H 3.000 . 4.000 4.037 4.037 4.037 0.037 1 0 "[ ]" 1
44 1 3 SER H 1 3 SER HA 3.000 . 4.000 2.868 2.868 2.868 . 0 0 "[ ]" 1
45 1 29 LEU HA 1 30 LYS H 3.000 . 4.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
46 1 26 GLN HB3 1 26 GLN HE22 3.000 . 4.000 3.272 3.272 3.272 . 0 0 "[ ]" 1
47 1 24 TRP HA 1 27 GLN H 3.000 . 4.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
48 1 23 LEU HA 1 26 GLN HE22 3.000 . 4.000 4.040 4.040 4.040 0.040 1 0 "[ ]" 1
49 1 3 SER HB2 1 4 ASP H 3.000 . 4.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
50 1 22 PRO HB3 1 24 TRP H 3.000 . 4.000 4.006 4.006 4.006 0.006 1 0 "[ ]" 1
51 1 22 PRO HB3 1 23 LEU H 3.000 . 4.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
52 1 15 ARG HB2 1 15 ARG HG3 3.000 . 4.000 2.290 2.290 2.290 . 0 0 "[ ]" 1
53 1 22 PRO HG2 1 25 LYS H 3.000 . 4.000 3.497 3.497 3.497 . 0 0 "[ ]" 1
54 1 22 PRO HB2 1 22 PRO HD2 3.000 . 4.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
55 1 11 PHE HA 1 12 GLY H 3.000 . 4.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
56 1 28 ASN HA 1 31 LYS H 3.000 . 4.000 3.998 3.998 3.998 . 0 0 "[ ]" 1
57 1 27 GLN HA 1 28 ASN H 3.000 . 4.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
58 1 26 GLN HA 1 29 LEU H 3.000 . 4.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
59 1 24 TRP HZ3 1 25 LYS HA 3.000 . 4.000 3.140 3.140 3.140 . 0 0 "[ ]" 1
60 1 15 ARG HA 1 16 SER H 3.000 . 4.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
61 1 22 PRO HB3 1 24 TRP HE1 3.000 . 4.000 2.373 2.373 2.373 . 0 0 "[ ]" 1
62 1 32 GLU HA 1 33 LYS H 3.000 . 4.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
63 1 33 LYS H 1 33 LYS HG3 3.000 . 4.000 2.665 2.665 2.665 . 0 0 "[ ]" 1
64 1 26 GLN HA 1 27 GLN H 3.000 . 4.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
65 1 15 ARG HA 1 18 PHE HB3 3.000 . 4.000 1.825 1.825 1.825 . 0 0 "[ ]" 1
66 1 2 LEU H 1 2 LEU HG 3.000 . 4.000 4.042 4.042 4.042 0.042 1 0 "[ ]" 1
67 1 14 THR H 1 14 THR HA 3.000 . 4.000 2.986 2.986 2.986 . 0 0 "[ ]" 1
68 1 36 PHE HA 1 36 PHE HB3 3.000 . 4.000 2.891 2.891 2.891 . 0 0 "[ ]" 1
69 1 22 PRO HD3 1 25 LYS HB3 3.000 . 4.000 4.029 4.029 4.029 0.029 1 0 "[ ]" 1
70 1 12 GLY HA3 1 13 MET H 3.000 . 4.000 2.653 2.653 2.653 . 0 0 "[ ]" 1
71 1 29 LEU HA 1 32 GLU H 3.000 . 4.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
72 1 20 ASN HB2 1 20 ASN HD21 3.000 . 4.000 3.391 3.391 3.391 . 0 0 "[ ]" 1
73 1 33 LYS HA 1 34 GLY H 3.000 . 4.000 2.528 2.528 2.528 . 0 0 "[ ]" 1
74 1 36 PHE H 1 36 PHE HB2 3.000 . 4.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
75 1 25 LYS H 1 25 LYS HG3 3.000 . 4.000 4.143 4.143 4.143 0.143 1 0 "[ ]" 1
76 1 28 ASN HB2 1 28 ASN HD22 3.000 . 4.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
77 1 24 TRP HB3 1 24 TRP HE3 3.000 . 4.000 4.111 4.111 4.111 0.111 1 0 "[ ]" 1
78 1 24 TRP HB3 1 25 LYS H 3.000 . 4.000 4.088 4.088 4.088 0.088 1 0 "[ ]" 1
79 1 25 LYS HB3 1 26 GLN H 3.000 . 4.000 3.127 3.127 3.127 . 0 0 "[ ]" 1
80 1 32 GLU HB2 1 33 LYS H 3.000 . 4.000 2.709 2.709 2.709 . 0 0 "[ ]" 1
81 1 5 GLU HA 1 8 LYS H 3.000 . 4.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
82 1 13 MET H 1 13 MET HB3 3.000 . 4.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
83 1 15 ARG H 1 15 ARG HG2 3.000 . 4.000 4.088 4.088 4.088 0.088 1 0 "[ ]" 1
84 1 5 GLU HA 1 6 ASP H 3.000 . 4.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
85 1 35 LEU HG 1 36 PHE H 3.000 . 4.000 2.195 2.195 2.195 . 0 0 "[ ]" 1
86 1 23 LEU HA 1 26 GLN HB3 3.000 . 4.000 3.987 3.987 3.987 . 0 0 "[ ]" 1
87 1 7 PHE HZ 1 15 ARG HA 3.000 . 4.000 2.439 2.439 2.439 . 0 0 "[ ]" 1
88 1 4 ASP HA 1 7 PHE HB2 3.000 . 4.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
89 1 32 GLU HB3 1 33 LYS H 3.000 . 4.000 3.676 3.676 3.676 . 0 0 "[ ]" 1
90 1 4 ASP HA 1 7 PHE H 3.000 . 4.000 3.952 3.952 3.952 . 0 0 "[ ]" 1
91 1 22 PRO HB2 1 25 LYS H 3.000 . 4.000 2.228 2.228 2.228 . 0 0 "[ ]" 1
92 1 25 LYS HA 1 25 LYS HG3 3.000 . 4.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
93 1 6 ASP HB2 1 7 PHE H 3.000 . 4.000 2.517 2.517 2.517 . 0 0 "[ ]" 1
94 1 20 ASN HB2 1 21 LEU H 3.000 . 4.000 3.210 3.210 3.210 . 0 0 "[ ]" 1
95 1 9 ALA HA 1 10 VAL H 3.000 . 4.000 2.873 2.873 2.873 . 0 0 "[ ]" 1
96 1 2 LEU HG 1 3 SER H 3.000 . 4.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
97 1 11 PHE H 1 11 PHE HA 3.000 . 4.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
98 1 23 LEU H 1 24 TRP H 3.000 . 4.000 2.855 2.855 2.855 . 0 0 "[ ]" 1
99 1 33 LYS H 1 33 LYS HA 3.000 . 4.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
100 1 11 PHE HB3 1 13 MET H 3.000 . 4.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
101 1 27 GLN H 1 27 GLN HG3 3.000 . 4.000 2.033 2.033 2.033 . 0 0 "[ ]" 1
102 1 15 ARG HD3 1 15 ARG HG3 3.000 . 4.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
103 1 7 PHE HZ 1 15 ARG HG3 3.000 . 4.000 4.075 4.075 4.075 0.075 1 0 "[ ]" 1
104 1 22 PRO HB2 1 23 LEU H 3.000 . 4.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
105 1 25 LYS HA 1 28 ASN H 3.000 . 4.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
106 1 36 PHE H 1 36 PHE HB3 3.000 . 4.000 3.217 3.217 3.217 . 0 0 "[ ]" 1
107 1 2 LEU HG 1 7 PHE H 3.000 . 4.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
108 1 6 ASP H 1 6 ASP HA 3.000 . 4.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
109 1 4 ASP HA 1 5 GLU H 3.000 . 4.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
110 1 20 ASN HB2 1 20 ASN HD22 3.000 . 4.000 4.014 4.014 4.014 0.014 1 0 "[ ]" 1
111 1 30 LYS H 1 30 LYS HG2 3.000 . 4.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
112 1 27 GLN HA 1 27 GLN HG2 3.000 . 4.000 2.379 2.379 2.379 . 0 0 "[ ]" 1
113 1 30 LYS HG3 1 31 LYS H 3.000 . 4.000 4.131 4.131 4.131 0.131 1 0 "[ ]" 1
114 1 27 GLN HB2 1 27 GLN HG3 3.000 . 4.000 2.422 2.422 2.422 . 0 0 "[ ]" 1
115 1 27 GLN HB3 1 28 ASN H 3.000 . 4.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
116 1 2 LEU HA 1 3 SER H 3.000 . 4.000 2.234 2.234 2.234 . 0 0 "[ ]" 1
117 1 36 PHE H 1 36 PHE HA 3.000 . 4.000 2.980 2.980 2.980 . 0 0 "[ ]" 1
118 1 15 ARG HA 1 18 PHE H 3.000 . 4.000 3.235 3.235 3.235 . 0 0 "[ ]" 1
119 1 7 PHE HB2 1 8 LYS H 3.000 . 4.000 3.317 3.317 3.317 . 0 0 "[ ]" 1
120 1 28 ASN H 1 28 ASN HA 3.000 . 4.000 2.881 2.881 2.881 . 0 0 "[ ]" 1
121 1 18 PHE HA 1 18 PHE HB3 3.000 . 4.000 3.024 3.024 3.024 . 0 0 "[ ]" 1
122 1 20 ASN H 1 20 ASN HB3 3.000 . 4.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
123 1 15 ARG HA 1 15 ARG HG2 3.000 . 4.000 2.002 2.002 2.002 . 0 0 "[ ]" 1
124 1 13 MET HB2 1 18 PHE H 3.000 . 4.000 4.104 4.104 4.104 0.104 1 0 "[ ]" 1
125 1 15 ARG HB3 1 16 SER H 3.000 . 4.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
126 1 15 ARG HB2 1 16 SER H 3.000 . 4.000 3.127 3.127 3.127 . 0 0 "[ ]" 1
127 1 32 GLU H 1 32 GLU HG2 3.000 . 4.000 2.984 2.984 2.984 . 0 0 "[ ]" 1
128 1 21 LEU HB3 1 22 PRO HD2 3.000 . 4.000 1.695 1.695 1.695 0.105 1 0 "[ ]" 1
129 1 32 GLU HA 1 32 GLU HG2 3.000 . 4.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
130 1 26 GLN H 1 26 GLN HA 3.000 . 4.000 2.867 2.867 2.867 . 0 0 "[ ]" 1
131 1 7 PHE HZ 1 18 PHE HB2 3.000 . 4.000 1.727 1.727 1.727 0.073 1 0 "[ ]" 1
132 1 7 PHE HZ 1 18 PHE HB3 3.000 . 4.000 2.910 2.910 2.910 . 0 0 "[ ]" 1
133 1 22 PRO HA 1 22 PRO HB3 3.000 . 4.000 2.269 2.269 2.269 . 0 0 "[ ]" 1
134 1 35 LEU HA 1 36 PHE H 3.000 . 4.000 3.444 3.444 3.444 . 0 0 "[ ]" 1
135 1 24 TRP H 1 24 TRP HB2 3.000 . 4.000 3.615 3.615 3.615 . 0 0 "[ ]" 1
136 1 3 SER H 1 6 ASP HB3 3.000 . 4.000 3.783 3.783 3.783 . 0 0 "[ ]" 1
137 1 25 LYS HA 1 25 LYS HG2 3.000 . 4.000 1.945 1.945 1.945 . 0 0 "[ ]" 1
138 1 6 ASP H 1 6 ASP HB2 3.000 . 4.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
139 1 11 PHE HZ 1 30 LYS HA 3.000 . 4.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
140 1 4 ASP HA 1 7 PHE HB3 3.000 . 4.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
141 1 19 ALA HA 1 26 GLN HE22 3.000 . 4.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
142 1 29 LEU HA 1 32 GLU HB2 3.000 . 4.000 2.173 2.173 2.173 . 0 0 "[ ]" 1
143 1 9 ALA H 1 9 ALA HA 3.000 . 4.000 2.925 2.925 2.925 . 0 0 "[ ]" 1
144 1 29 LEU HA 1 29 LEU HG 3.000 . 4.000 2.567 2.567 2.567 . 0 0 "[ ]" 1
145 1 24 TRP HA 1 27 GLN HB2 3.000 . 4.000 3.212 3.212 3.212 . 0 0 "[ ]" 1
146 1 11 PHE H 1 11 PHE HB3 3.000 . 4.000 3.647 3.647 3.647 . 0 0 "[ ]" 1
147 1 22 PRO HD3 1 25 LYS HB2 3.000 . 4.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
148 1 25 LYS HE3 1 29 LEU HA 3.000 . 4.000 4.070 4.070 4.070 0.070 1 0 "[ ]" 1
149 1 26 GLN HA 1 29 LEU HB2 3.000 . 4.000 3.109 3.109 3.109 . 0 0 "[ ]" 1
150 1 3 SER H 1 3 SER HB2 3.000 . 4.000 3.475 3.475 3.475 . 0 0 "[ ]" 1
151 1 19 ALA HA 1 26 GLN HE21 3.000 . 4.000 4.042 4.042 4.042 0.042 1 0 "[ ]" 1
152 1 10 VAL H 1 10 VAL HA 3.000 . 4.000 2.966 2.966 2.966 . 0 0 "[ ]" 1
153 1 18 PHE HB2 1 19 ALA H 3.000 . 4.000 4.096 4.096 4.096 0.096 1 0 "[ ]" 1
154 1 21 LEU H 1 21 LEU HA 3.000 . 4.000 2.931 2.931 2.931 . 0 0 "[ ]" 1
155 1 32 GLU HA 1 32 GLU HB2 3.000 . 4.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
156 1 25 LYS HA 1 28 ASN HB3 3.000 . 4.000 3.706 3.706 3.706 . 0 0 "[ ]" 1
157 1 32 GLU H 1 32 GLU HB3 3.000 . 4.000 3.667 3.667 3.667 . 0 0 "[ ]" 1
158 1 19 ALA H 1 19 ALA HA 3.000 . 4.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
159 1 31 LYS H 1 32 GLU H 3.000 . 4.000 2.759 2.759 2.759 . 0 0 "[ ]" 1
160 1 24 TRP HE3 1 25 LYS HA 3.000 . 4.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
161 1 5 GLU H 1 6 ASP H 3.000 . 4.000 3.346 3.346 3.346 . 0 0 "[ ]" 1
162 1 14 THR HA 1 15 ARG H 3.000 . 4.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
163 1 28 ASN H 1 28 ASN HB3 3.000 . 4.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
164 1 25 LYS H 1 25 LYS HA 3.000 . 4.000 2.895 2.895 2.895 . 0 0 "[ ]" 1
165 1 21 LEU H 1 21 LEU HB3 3.000 . 4.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
166 1 25 LYS HB2 1 26 GLN H 3.000 . 4.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
167 1 4 ASP H 1 5 GLU H 3.000 . 4.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
168 1 27 GLN H 1 27 GLN HG2 3.000 . 4.000 3.096 3.096 3.096 . 0 0 "[ ]" 1
169 1 26 GLN HE21 1 26 GLN HG3 3.000 . 4.000 3.439 3.439 3.439 . 0 0 "[ ]" 1
170 1 11 PHE HA 1 11 PHE HB2 3.000 . 4.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
171 1 7 PHE HA 1 7 PHE HB3 3.000 . 4.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
172 1 15 ARG H 1 16 SER H 3.000 . 4.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
173 1 27 GLN HA 1 27 GLN HG3 3.000 . 4.000 3.082 3.082 3.082 . 0 0 "[ ]" 1
174 1 7 PHE H 1 7 PHE HA 3.000 . 4.000 2.773 2.773 2.773 . 0 0 "[ ]" 1
175 1 24 TRP H 1 24 TRP HA 3.000 . 4.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
176 1 28 ASN HB3 1 29 LEU H 3.000 . 4.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
177 1 26 GLN HB3 1 27 GLN H 3.000 . 4.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
178 1 26 GLN HE22 1 26 GLN HG3 3.000 . 4.000 4.029 4.029 4.029 0.029 1 0 "[ ]" 1
179 1 22 PRO HB3 1 25 LYS H 3.000 . 4.000 3.957 3.957 3.957 . 0 0 "[ ]" 1
180 1 29 LEU H 1 29 LEU HB3 3.000 . 4.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
181 1 25 LYS HA 1 25 LYS HB2 3.000 . 4.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
182 1 7 PHE H 1 8 LYS H 3.000 . 4.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
183 1 27 GLN HB2 1 28 ASN H 3.000 . 4.000 2.722 2.722 2.722 . 0 0 "[ ]" 1
184 1 8 LYS H 1 9 ALA H 3.000 . 4.000 3.315 3.315 3.315 . 0 0 "[ ]" 1
185 1 24 TRP HB2 1 24 TRP HE3 3.000 . 4.000 2.627 2.627 2.627 . 0 0 "[ ]" 1
186 1 3 SER HA 1 4 ASP H 3.000 . 4.000 2.367 2.367 2.367 . 0 0 "[ ]" 1
187 1 29 LEU H 1 29 LEU HA 3.000 . 4.000 2.761 2.761 2.761 . 0 0 "[ ]" 1
188 1 24 TRP H 1 25 LYS H 3.000 . 4.000 2.478 2.478 2.478 . 0 0 "[ ]" 1
189 1 15 ARG H 1 15 ARG HB2 3.000 . 4.000 2.047 2.047 2.047 . 0 0 "[ ]" 1
190 1 5 GLU H 1 5 GLU HA 3.000 . 4.000 2.717 2.717 2.717 . 0 0 "[ ]" 1
191 1 11 PHE HZ 1 15 ARG HG2 3.000 . 4.000 4.092 4.092 4.092 0.092 1 0 "[ ]" 1
192 1 26 GLN H 1 26 GLN HB3 3.000 . 4.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
193 1 29 LEU H 1 30 LYS H 3.000 . 4.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
194 1 15 ARG HA 1 15 ARG HG3 3.000 . 4.000 2.892 2.892 2.892 . 0 0 "[ ]" 1
195 1 32 GLU H 1 33 LYS H 3.000 . 4.000 2.319 2.319 2.319 . 0 0 "[ ]" 1
196 1 26 GLN HA 1 26 GLN HG2 3.000 . 4.000 2.378 2.378 2.378 . 0 0 "[ ]" 1
197 1 32 GLU HA 1 32 GLU HB3 3.000 . 4.000 2.535 2.535 2.535 . 0 0 "[ ]" 1
198 1 11 PHE HZ 1 30 LYS HG2 3.000 . 4.000 3.035 3.035 3.035 . 0 0 "[ ]" 1
199 1 23 LEU H 1 23 LEU HA 3.000 . 4.000 2.818 2.818 2.818 . 0 0 "[ ]" 1
200 1 19 ALA H 1 20 ASN H 3.000 . 4.000 2.980 2.980 2.980 . 0 0 "[ ]" 1
201 1 15 ARG HE 1 15 ARG HG3 3.000 . 4.000 3.886 3.886 3.886 . 0 0 "[ ]" 1
202 1 18 PHE HB3 1 19 ALA H 3.000 . 4.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
203 1 7 PHE HA 1 10 VAL HB 3.000 . 4.000 2.221 2.221 2.221 . 0 0 "[ ]" 1
204 1 9 ALA H 1 10 VAL H 3.000 . 4.000 3.231 3.231 3.231 . 0 0 "[ ]" 1
205 1 18 PHE H 1 19 ALA H 3.000 . 4.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
206 1 26 GLN H 1 26 GLN HG3 3.000 . 4.000 2.121 2.121 2.121 . 0 0 "[ ]" 1
207 1 17 ALA H 1 18 PHE H 3.000 . 4.000 2.610 2.610 2.610 . 0 0 "[ ]" 1
208 1 27 GLN H 1 28 ASN H 3.000 . 4.000 2.982 2.982 2.982 . 0 0 "[ ]" 1
209 1 26 GLN HA 1 26 GLN HB2 3.000 . 4.000 3.023 3.023 3.023 . 0 0 "[ ]" 1
210 1 7 PHE HA 1 8 LYS H 3.000 . 4.000 3.511 3.511 3.511 . 0 0 "[ ]" 1
211 1 16 SER H 1 17 ALA H 3.000 . 4.000 2.964 2.964 2.964 . 0 0 "[ ]" 1
212 1 6 ASP H 1 7 PHE H 3.000 . 4.000 3.087 3.087 3.087 . 0 0 "[ ]" 1
213 1 28 ASN HA 1 28 ASN HB2 2.400 . 3.000 2.980 2.980 2.980 . 0 0 "[ ]" 1
214 1 26 GLN H 1 27 GLN H 2.400 . 3.000 3.028 3.028 3.028 0.028 1 0 "[ ]" 1
215 1 35 LEU H 1 36 PHE H 2.400 . 3.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
216 1 27 GLN HA 1 27 GLN HB2 2.400 . 3.000 3.025 3.025 3.025 0.025 1 0 "[ ]" 1
217 1 24 TRP H 1 24 TRP HD1 2.400 . 3.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
218 1 29 LEU HB2 1 30 LYS H 2.400 . 3.000 3.025 3.025 3.025 0.025 1 0 "[ ]" 1
219 1 31 LYS H 1 31 LYS HA 2.400 . 3.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
220 1 4 ASP H 1 4 ASP HA 2.400 . 3.000 2.704 2.704 2.704 . 0 0 "[ ]" 1
221 1 12 GLY H 1 12 GLY HA2 2.400 . 3.000 2.714 2.714 2.714 . 0 0 "[ ]" 1
222 1 27 GLN H 1 27 GLN HA 2.400 . 3.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
223 1 13 MET HB2 1 14 THR H 2.400 . 3.000 1.913 1.913 1.913 . 0 0 "[ ]" 1
224 1 11 PHE H 1 12 GLY H 2.400 . 3.000 2.856 2.856 2.856 . 0 0 "[ ]" 1
225 1 6 ASP HB3 1 7 PHE H 2.400 . 3.000 2.975 2.975 2.975 . 0 0 "[ ]" 1
226 1 15 ARG H 1 15 ARG HB3 2.400 . 3.000 3.212 3.212 3.212 0.212 1 0 "[ ]" 1
227 1 25 LYS HA 1 25 LYS HB3 2.400 . 3.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
228 1 25 LYS H 1 25 LYS HB3 2.400 . 3.000 3.108 3.108 3.108 0.108 1 0 "[ ]" 1
229 1 7 PHE HB3 1 8 LYS H 2.400 . 3.000 2.001 2.001 2.001 . 0 0 "[ ]" 1
230 1 30 LYS H 1 30 LYS HA 2.400 . 3.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
231 1 15 ARG HA 1 15 ARG HB2 2.400 . 3.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
232 1 25 LYS HA 1 28 ASN HB2 2.400 . 3.000 2.410 2.410 2.410 . 0 0 "[ ]" 1
233 1 18 PHE HA 1 18 PHE HB2 2.400 . 3.000 2.387 2.387 2.387 . 0 0 "[ ]" 1
234 1 6 ASP HA 1 6 ASP HB2 2.400 . 3.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
235 1 35 LEU HA 1 35 LEU HG 2.400 . 3.000 3.408 3.408 3.408 0.408 1 0 "[ ]" 1
236 1 24 TRP H 1 24 TRP HB3 2.400 . 3.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
237 1 15 ARG HA 1 15 ARG HB3 2.400 . 3.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
238 1 13 MET H 1 13 MET HB2 2.400 . 3.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
239 1 29 LEU H 1 29 LEU HG 2.400 . 3.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
240 1 26 GLN H 1 26 GLN HB2 2.400 . 3.000 2.525 2.525 2.525 . 0 0 "[ ]" 1
241 1 13 MET HB3 1 14 THR H 2.400 . 3.000 2.106 2.106 2.106 . 0 0 "[ ]" 1
242 1 24 TRP HA 1 24 TRP HB2 2.400 . 3.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
243 1 25 LYS H 1 25 LYS HB2 2.400 . 3.000 2.089 2.089 2.089 . 0 0 "[ ]" 1
244 1 32 GLU H 1 32 GLU HB2 2.400 . 3.000 2.451 2.451 2.451 . 0 0 "[ ]" 1
245 1 11 PHE HA 1 11 PHE HB3 2.400 . 3.000 2.478 2.478 2.478 . 0 0 "[ ]" 1
246 1 16 SER H 1 16 SER HA 2.400 . 3.000 2.826 2.826 2.826 . 0 0 "[ ]" 1
247 1 10 VAL H 1 11 PHE H 2.400 . 3.000 2.772 2.772 2.772 . 0 0 "[ ]" 1
248 1 15 ARG HA 1 18 PHE HB2 2.400 . 3.000 2.511 2.511 2.511 . 0 0 "[ ]" 1
249 1 10 VAL HB 1 11 PHE H 2.400 . 3.000 1.977 1.977 1.977 . 0 0 "[ ]" 1
250 1 30 LYS H 1 30 LYS HG3 2.400 . 3.000 2.178 2.178 2.178 . 0 0 "[ ]" 1
251 1 7 PHE HA 1 7 PHE HB2 2.400 . 3.000 2.596 2.596 2.596 . 0 0 "[ ]" 1
252 1 1 MET HA 1 2 LEU H 2.400 . 3.000 2.194 2.194 2.194 . 0 0 "[ ]" 1
253 1 28 ASN H 1 29 LEU H 2.400 . 3.000 3.057 3.057 3.057 0.057 1 0 "[ ]" 1
254 1 12 GLY H 1 13 MET H 2.400 . 3.000 2.649 2.649 2.649 . 0 0 "[ ]" 1
255 1 10 VAL HA 1 10 VAL HB 2.400 . 3.000 3.027 3.027 3.027 0.027 1 0 "[ ]" 1
256 1 28 ASN HA 1 28 ASN HB3 2.400 . 3.000 2.680 2.680 2.680 . 0 0 "[ ]" 1
257 1 21 LEU HA 1 22 PRO HD3 2.400 . 3.000 2.215 2.215 2.215 . 0 0 "[ ]" 1
258 1 28 ASN H 1 28 ASN HB2 2.400 . 3.000 2.187 2.187 2.187 . 0 0 "[ ]" 1
259 1 26 GLN HA 1 26 GLN HG3 2.400 . 3.000 3.198 3.198 3.198 0.198 1 0 "[ ]" 1
260 1 20 ASN H 1 20 ASN HB2 2.400 . 3.000 2.474 2.474 2.474 . 0 0 "[ ]" 1
261 1 20 ASN H 1 21 LEU H 2.400 . 3.000 2.007 2.007 2.007 . 0 0 "[ ]" 1
262 1 22 PRO HD2 1 22 PRO HG3 2.400 . 3.000 2.894 2.894 2.894 . 0 0 "[ ]" 1
263 1 26 GLN H 1 26 GLN HG2 2.400 . 3.000 3.102 3.102 3.102 0.102 1 0 "[ ]" 1
264 1 7 PHE H 1 7 PHE HB3 2.400 . 3.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
265 1 26 GLN HA 1 26 GLN HB3 2.400 . 3.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
266 1 24 TRP HA 1 24 TRP HB3 2.400 . 3.000 2.398 2.398 2.398 . 0 0 "[ ]" 1
267 1 21 LEU HA 1 21 LEU HB3 2.400 . 3.000 2.353 2.353 2.353 . 0 0 "[ ]" 1
268 1 23 LEU HA 1 26 GLN HB2 2.400 . 3.000 2.698 2.698 2.698 . 0 0 "[ ]" 1
269 1 29 LEU HA 1 29 LEU HB3 2.400 . 3.000 2.650 2.650 2.650 . 0 0 "[ ]" 1
270 1 29 LEU HA 1 29 LEU HB2 2.400 . 3.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
271 1 11 PHE H 1 11 PHE HB2 2.400 . 3.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
272 1 27 GLN H 1 27 GLN HB2 2.400 . 3.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
273 1 18 PHE H 1 18 PHE HB3 2.400 . 3.000 2.431 2.431 2.431 . 0 0 "[ ]" 1
274 1 21 LEU H 1 21 LEU HG 2.400 . 3.000 1.901 1.901 1.901 . 0 0 "[ ]" 1
275 1 30 LYS HA 1 30 LYS HG3 2.400 . 3.000 2.980 2.980 2.980 . 0 0 "[ ]" 1
276 1 12 GLY H 1 12 GLY HA3 2.400 . 3.000 2.934 2.934 2.934 . 0 0 "[ ]" 1
277 1 21 LEU HB3 1 22 PRO HD3 2.400 . 3.000 2.692 2.692 2.692 . 0 0 "[ ]" 1
278 1 25 LYS H 1 26 GLN H 2.400 . 3.000 2.406 2.406 2.406 . 0 0 "[ ]" 1
279 1 7 PHE H 1 7 PHE HB2 2.400 . 3.000 2.275 2.275 2.275 . 0 0 "[ ]" 1
280 1 21 LEU H 1 21 LEU HB2 2.400 . 3.000 2.781 2.781 2.781 . 0 0 "[ ]" 1
281 1 22 PRO HA 1 22 PRO HB2 2.400 . 3.000 2.899 2.899 2.899 . 0 0 "[ ]" 1
282 1 3 SER HA 1 3 SER HB2 2.400 . 3.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
283 1 22 PRO HD3 1 22 PRO HG3 2.400 . 3.000 2.280 2.280 2.280 . 0 0 "[ ]" 1
284 1 29 LEU H 1 29 LEU HB2 2.400 . 3.000 2.357 2.357 2.357 . 0 0 "[ ]" 1
285 1 33 LYS HA 1 33 LYS HG2 2.400 . 3.000 3.289 3.289 3.289 0.289 1 0 "[ ]" 1
286 1 34 GLY H 1 34 GLY HA3 2.400 . 3.000 2.867 2.867 2.867 . 0 0 "[ ]" 1
287 1 30 LYS HA 1 30 LYS HG2 2.400 . 3.000 2.440 2.440 2.440 . 0 0 "[ ]" 1
288 1 18 PHE H 1 18 PHE HB2 2.400 . 3.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
289 1 26 GLN HB2 1 27 GLN H 2.400 . 3.000 1.800 1.800 1.800 . 0 0 "[ ]" 1
290 1 21 LEU HA 1 22 PRO HD2 2.400 . 3.000 2.840 2.840 2.840 . 0 0 "[ ]" 1
291 1 10 VAL H 1 10 VAL HB 2.400 . 3.000 2.731 2.731 2.731 . 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 188
_Distance_constraint_stats_list.Viol_count 13
_Distance_constraint_stats_list.Viol_total 0.989
_Distance_constraint_stats_list.Viol_max 0.285
_Distance_constraint_stats_list.Viol_rms 0.0274
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0761
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ ]"
1 2 LEU 0.000 0.000 . 0 "[ ]"
1 3 SER 0.000 0.000 . 0 "[ ]"
1 4 ASP 0.000 0.000 . 0 "[ ]"
1 5 GLU 0.000 0.000 . 0 "[ ]"
1 6 ASP 0.107 0.107 1 0 "[ ]"
1 7 PHE 0.003 0.003 1 0 "[ ]"
1 8 LYS 0.000 0.000 . 0 "[ ]"
1 9 ALA 0.107 0.107 1 0 "[ ]"
1 10 VAL 0.069 0.061 1 0 "[ ]"
1 11 PHE 0.153 0.104 1 0 "[ ]"
1 13 MET 0.003 0.003 1 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.145 0.085 1 0 "[ ]"
1 16 SER 0.000 0.000 . 0 "[ ]"
1 17 ALA 0.000 0.000 . 0 "[ ]"
1 18 PHE 0.011 0.010 1 0 "[ ]"
1 19 ALA 0.000 0.000 . 0 "[ ]"
1 21 LEU 0.000 0.000 . 0 "[ ]"
1 22 PRO 0.000 0.000 . 0 "[ ]"
1 23 LEU 0.056 0.056 1 0 "[ ]"
1 24 TRP 0.000 0.000 . 0 "[ ]"
1 25 LYS 0.000 0.000 . 0 "[ ]"
1 26 GLN 0.184 0.128 1 0 "[ ]"
1 27 GLN 0.091 0.091 1 0 "[ ]"
1 28 ASN 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 30 LYS 0.504 0.285 1 0 "[ ]"
1 31 LYS 0.000 0.000 . 0 "[ ]"
1 32 GLU 0.285 0.285 1 0 "[ ]"
1 33 LYS 0.070 0.061 1 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 36 PHE 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 ARG HB2 1 15 ARG QH 4.000 . 5.000 2.354 2.354 2.354 . 0 0 "[ ]" 2
2 1 2 LEU HG 1 15 ARG QH 4.000 . 5.000 4.586 4.586 4.586 . 0 0 "[ ]" 2
3 1 1 MET QB 1 15 ARG QH 4.000 . 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 2
4 1 1 MET QG 1 15 ARG QH 4.000 . 5.000 3.765 3.765 3.765 . 0 0 "[ ]" 2
5 1 31 LYS HA 1 31 LYS QD 3.800 . 5.000 3.363 3.363 3.363 . 0 0 "[ ]" 2
6 1 1 MET QG 1 2 LEU H 3.800 . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 2
7 1 18 PHE H 1 21 LEU MD1 3.800 . 5.000 4.934 4.934 4.934 . 0 0 "[ ]" 2
8 1 9 ALA H 1 10 VAL MG2 3.800 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 2
9 1 2 LEU QD 1 7 PHE H 3.800 . 5.000 3.364 3.364 3.364 . 0 0 "[ ]" 2
10 1 35 LEU QD 1 36 PHE H 3.800 . 5.000 3.157 3.157 3.157 . 0 0 "[ ]" 2
11 1 21 LEU QD 1 26 GLN H 3.800 . 5.000 4.620 4.620 4.620 . 0 0 "[ ]" 2
12 1 23 LEU QD 1 27 GLN H 3.800 . 5.000 2.825 2.825 2.825 . 0 0 "[ ]" 2
13 1 21 LEU HA 1 21 LEU MD1 3.800 . 5.000 3.934 3.934 3.934 . 0 0 "[ ]" 2
14 1 11 PHE HA 1 11 PHE QE 3.000 . 4.500 4.604 4.604 4.604 0.104 1 0 "[ ]" 2
15 1 7 PHE QE 1 18 PHE H 3.000 . 4.500 4.463 4.463 4.463 . 0 0 "[ ]" 2
16 1 7 PHE QD 1 11 PHE QD 3.000 . 4.500 2.847 2.847 2.847 . 0 0 "[ ]" 2
17 1 7 PHE QD 1 14 THR HA 3.000 . 4.500 2.947 2.947 2.947 . 0 0 "[ ]" 2
18 1 14 THR HG1 1 17 ALA H 3.000 . 4.500 3.524 3.524 3.524 . 0 0 "[ ]" 2
19 1 7 PHE HB2 1 15 ARG QH 3.000 . 4.500 3.132 3.132 3.132 . 0 0 "[ ]" 2
20 1 2 LEU H 1 2 LEU QD 3.000 . 4.500 2.482 2.482 2.482 . 0 0 "[ ]" 2
21 1 2 LEU QD 1 3 SER H 3.000 . 4.500 4.101 4.101 4.101 . 0 0 "[ ]" 2
22 1 15 ARG HG3 1 15 ARG QH 3.000 . 4.500 1.715 1.715 1.715 0.085 1 0 "[ ]" 2
23 1 18 PHE QR 1 30 LYS H 3.000 . 4.500 4.080 4.080 4.080 . 0 0 "[ ]" 2
24 1 11 PHE QE 1 34 GLY HA3 3.000 . 4.500 2.783 2.783 2.783 . 0 0 "[ ]" 2
25 1 4 ASP H 1 15 ARG QH 3.000 . 4.500 4.400 4.400 4.400 . 0 0 "[ ]" 2
26 1 2 LEU QB 1 3 SER H 3.000 . 4.500 3.773 3.773 3.773 . 0 0 "[ ]" 2
27 1 13 MET QG 1 14 THR H 3.000 . 4.500 3.772 3.772 3.772 . 0 0 "[ ]" 2
28 1 29 LEU H 1 29 LEU MD2 3.000 . 4.500 3.800 3.800 3.800 . 0 0 "[ ]" 2
29 1 31 LYS H 1 31 LYS QG 3.000 . 4.500 2.848 2.848 2.848 . 0 0 "[ ]" 2
30 1 2 LEU QB 1 15 ARG QH 3.000 . 4.500 2.147 2.147 2.147 . 0 0 "[ ]" 2
31 1 10 VAL MG1 1 11 PHE HZ 3.000 . 4.500 3.825 3.825 3.825 . 0 0 "[ ]" 2
32 1 10 VAL MG1 1 33 LYS QE 3.000 . 4.500 4.508 4.508 4.508 0.008 1 0 "[ ]" 2
33 1 10 VAL MG2 1 11 PHE H 3.000 . 4.500 3.666 3.666 3.666 . 0 0 "[ ]" 2
34 1 2 LEU QB 1 7 PHE H 3.000 . 4.500 3.026 3.026 3.026 . 0 0 "[ ]" 2
35 1 23 LEU H 1 23 LEU QD 3.000 . 4.500 3.103 3.103 3.103 . 0 0 "[ ]" 2
36 1 10 VAL MG1 1 11 PHE HA 3.000 . 4.500 3.210 3.210 3.210 . 0 0 "[ ]" 2
37 1 10 VAL MG1 1 11 PHE H 3.000 . 4.500 2.542 2.542 2.542 . 0 0 "[ ]" 2
38 1 2 LEU H 1 15 ARG QH 3.000 . 4.500 3.236 3.236 3.236 . 0 0 "[ ]" 2
39 1 29 LEU H 1 29 LEU MD1 3.000 . 4.500 3.565 3.565 3.565 . 0 0 "[ ]" 2
40 1 15 ARG HG2 1 15 ARG QH 3.000 . 4.500 3.188 3.188 3.188 . 0 0 "[ ]" 2
41 1 10 VAL H 1 10 VAL MG1 3.000 . 4.500 3.864 3.864 3.864 . 0 0 "[ ]" 2
42 1 1 MET QB 1 2 LEU H 3.000 . 4.500 3.240 3.240 3.240 . 0 0 "[ ]" 2
43 1 36 PHE HA 1 36 PHE QD 3.000 . 4.500 2.918 2.918 2.918 . 0 0 "[ ]" 2
44 1 7 PHE QD 1 15 ARG H 3.000 . 4.500 3.707 3.707 3.707 . 0 0 "[ ]" 2
45 1 7 PHE QD 1 11 PHE QE 3.000 . 4.500 2.720 2.720 2.720 . 0 0 "[ ]" 2
46 1 5 GLU H 1 5 GLU QG 3.000 . 4.500 2.162 2.162 2.162 . 0 0 "[ ]" 2
47 1 2 LEU HG 1 7 PHE QD 3.000 . 4.500 4.460 4.460 4.460 . 0 0 "[ ]" 2
48 1 10 VAL MG2 1 11 PHE QD 3.000 . 4.500 4.313 4.313 4.313 . 0 0 "[ ]" 2
49 1 7 PHE H 1 7 PHE QD 3.000 . 4.500 4.045 4.045 4.045 . 0 0 "[ ]" 2
50 1 21 LEU H 1 21 LEU MD1 3.000 . 4.500 2.494 2.494 2.494 . 0 0 "[ ]" 2
51 1 7 PHE QD 1 11 PHE HB2 3.000 . 4.500 3.476 3.476 3.476 . 0 0 "[ ]" 2
52 1 29 LEU MD2 1 33 LYS QE 3.000 . 4.500 2.993 2.993 2.993 . 0 0 "[ ]" 2
53 1 15 ARG HA 1 18 PHE QR 3.000 . 4.500 2.994 2.994 2.994 . 0 0 "[ ]" 2
54 1 29 LEU HA 1 29 LEU MD1 3.000 . 4.500 3.746 3.746 3.746 . 0 0 "[ ]" 2
55 1 11 PHE QD 1 18 PHE QR 3.000 . 4.500 2.628 2.628 2.628 . 0 0 "[ ]" 2
56 1 15 ARG HG2 1 18 PHE QR 3.000 . 4.500 2.580 2.580 2.580 . 0 0 "[ ]" 2
57 1 21 LEU MD1 1 26 GLN HA 3.000 . 4.500 3.505 3.505 3.505 . 0 0 "[ ]" 2
58 1 2 LEU QB 1 7 PHE HB2 3.000 . 4.500 2.521 2.521 2.521 . 0 0 "[ ]" 2
59 1 23 LEU QD 1 27 GLN HE22 3.000 . 4.500 3.547 3.547 3.547 . 0 0 "[ ]" 2
60 1 4 ASP HA 1 15 ARG QH 3.000 . 4.500 4.302 4.302 4.302 . 0 0 "[ ]" 2
61 1 18 PHE QR 1 29 LEU MD2 3.000 . 4.500 3.390 3.390 3.390 . 0 0 "[ ]" 2
62 1 25 LYS HA 1 25 LYS QD 3.000 . 4.500 3.457 3.457 3.457 . 0 0 "[ ]" 2
63 1 10 VAL MG1 1 33 LYS QD 3.000 . 4.500 3.118 3.118 3.118 . 0 0 "[ ]" 2
64 1 18 PHE QR 1 19 ALA H 3.000 . 4.500 3.849 3.849 3.849 . 0 0 "[ ]" 2
65 1 35 LEU H 1 35 LEU QD 3.000 . 4.500 2.799 2.799 2.799 . 0 0 "[ ]" 2
66 1 21 LEU H 1 21 LEU MD2 3.000 . 4.500 3.612 3.612 3.612 . 0 0 "[ ]" 2
67 1 13 MET H 1 13 MET QG 3.000 . 4.500 2.416 2.416 2.416 . 0 0 "[ ]" 2
68 1 11 PHE QD 1 29 LEU MD2 3.000 . 4.500 3.394 3.394 3.394 . 0 0 "[ ]" 2
69 1 36 PHE HB3 1 36 PHE QD 3.000 . 4.500 2.500 2.500 2.500 . 0 0 "[ ]" 2
70 1 18 PHE H 1 18 PHE QR 3.000 . 4.500 4.127 4.127 4.127 . 0 0 "[ ]" 2
71 1 18 PHE QR 1 19 ALA HA 3.000 . 4.500 3.843 3.843 3.843 . 0 0 "[ ]" 2
72 1 10 VAL MG1 1 11 PHE QD 3.000 . 4.500 2.869 2.869 2.869 . 0 0 "[ ]" 2
73 1 11 PHE QD 1 29 LEU MD1 3.000 . 4.500 3.301 3.301 3.301 . 0 0 "[ ]" 2
74 1 7 PHE QD 1 15 ARG HG3 3.000 . 4.500 1.997 1.997 1.997 . 0 0 "[ ]" 2
75 1 7 PHE HZ 1 18 PHE QR 3.000 . 4.500 3.490 3.490 3.490 . 0 0 "[ ]" 2
76 1 11 PHE QE 1 29 LEU HB2 3.000 . 4.500 3.694 3.694 3.694 . 0 0 "[ ]" 2
77 1 36 PHE HB2 1 36 PHE QD 3.000 . 4.500 2.311 2.311 2.311 . 0 0 "[ ]" 2
78 1 7 PHE QE 1 18 PHE QR 3.000 . 4.500 3.426 3.426 3.426 . 0 0 "[ ]" 2
79 1 11 PHE QD 1 29 LEU HB2 3.000 . 4.500 4.069 4.069 4.069 . 0 0 "[ ]" 2
80 1 7 PHE QD 1 15 ARG QH 3.000 . 4.500 2.212 2.212 2.212 . 0 0 "[ ]" 2
81 1 10 VAL MG1 1 11 PHE QE 3.000 . 4.500 2.812 2.812 2.812 . 0 0 "[ ]" 2
82 1 5 GLU HA 1 5 GLU QG 3.000 . 4.500 2.323 2.323 2.323 . 0 0 "[ ]" 2
83 1 2 LEU QD 1 11 PHE QD 3.000 . 4.500 2.727 2.727 2.727 . 0 0 "[ ]" 2
84 1 30 LYS H 1 31 LYS QD 3.000 . 4.500 4.122 4.122 4.122 . 0 0 "[ ]" 2
85 1 7 PHE HA 1 7 PHE QD 3.000 . 4.500 2.865 2.865 2.865 . 0 0 "[ ]" 2
86 1 23 LEU QD 1 26 GLN HA 3.000 . 4.500 4.556 4.556 4.556 0.056 1 0 "[ ]" 2
87 1 2 LEU QD 1 7 PHE HB2 3.000 . 4.500 3.217 3.217 3.217 . 0 0 "[ ]" 2
88 1 7 PHE QE 1 13 MET HB2 3.000 . 4.500 3.474 3.474 3.474 . 0 0 "[ ]" 2
89 1 21 LEU MD2 1 22 PRO HD2 3.000 . 4.500 3.186 3.186 3.186 . 0 0 "[ ]" 2
90 1 27 GLN HA 1 30 LYS QD 3.000 . 4.500 1.709 1.709 1.709 0.091 1 0 "[ ]" 2
91 1 11 PHE H 1 11 PHE QD 3.000 . 4.500 2.303 2.303 2.303 . 0 0 "[ ]" 2
92 1 11 PHE QE 1 18 PHE QR 3.000 . 4.500 2.322 2.322 2.322 . 0 0 "[ ]" 2
93 1 7 PHE QE 1 18 PHE HB3 3.000 . 4.500 3.413 3.413 3.413 . 0 0 "[ ]" 2
94 1 11 PHE QD 1 34 GLY HA3 3.000 . 4.500 4.202 4.202 4.202 . 0 0 "[ ]" 2
95 1 22 PRO HD3 1 25 LYS QD 3.000 . 4.500 4.246 4.246 4.246 . 0 0 "[ ]" 2
96 1 11 PHE QD 1 29 LEU HB3 3.000 . 4.500 2.622 2.622 2.622 . 0 0 "[ ]" 2
97 1 18 PHE QR 1 33 LYS HG3 3.000 . 4.500 4.501 4.501 4.501 0.001 1 0 "[ ]" 2
98 1 5 GLU QB 1 6 ASP H 3.000 . 4.500 2.089 2.089 2.089 . 0 0 "[ ]" 2
99 1 7 PHE QE 1 13 MET QG 3.000 . 4.500 4.503 4.503 4.503 0.003 1 0 "[ ]" 2
100 1 11 PHE QE 1 30 LYS HA 3.000 . 4.500 2.731 2.731 2.731 . 0 0 "[ ]" 2
101 1 26 GLN HE22 1 30 LYS QD 3.000 . 4.500 4.628 4.628 4.628 0.128 1 0 "[ ]" 2
102 1 21 LEU HB2 1 21 LEU MD1 3.000 . 4.500 2.137 2.137 2.137 . 0 0 "[ ]" 2
103 1 21 LEU MD2 1 22 PRO HD3 3.000 . 4.500 3.720 3.720 3.720 . 0 0 "[ ]" 2
104 1 2 LEU QD 1 7 PHE QD 3.000 . 4.500 2.192 2.192 2.192 . 0 0 "[ ]" 2
105 1 11 PHE QE 1 29 LEU HB3 3.000 . 4.500 2.828 2.828 2.828 . 0 0 "[ ]" 2
106 1 33 LYS QE 1 33 LYS HG3 3.000 . 4.500 3.226 3.226 3.226 . 0 0 "[ ]" 2
107 1 28 ASN HA 1 30 LYS QB 3.000 . 4.500 4.434 4.434 4.434 . 0 0 "[ ]" 2
108 1 8 LYS QB 1 9 ALA H 3.000 . 4.500 2.131 2.131 2.131 . 0 0 "[ ]" 2
109 1 26 GLN HE21 1 30 LYS QD 3.000 . 4.500 3.224 3.224 3.224 . 0 0 "[ ]" 2
110 1 2 LEU QB 1 7 PHE QD 3.000 . 4.500 2.292 2.292 2.292 . 0 0 "[ ]" 2
111 1 7 PHE QE 1 15 ARG HA 3.000 . 4.500 2.146 2.146 2.146 . 0 0 "[ ]" 2
112 1 10 VAL MG1 1 33 LYS HG3 2.400 . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 2
113 1 23 LEU QD 1 26 GLN HB2 2.400 . 3.500 2.184 2.184 2.184 . 0 0 "[ ]" 2
114 1 2 LEU QD 1 6 ASP HB3 2.400 . 3.500 3.075 3.075 3.075 . 0 0 "[ ]" 2
115 1 10 VAL HB 1 11 PHE QD 2.400 . 3.500 2.940 2.940 2.940 . 0 0 "[ ]" 2
116 1 16 SER QB 1 17 ALA H 2.400 . 3.500 2.288 2.288 2.288 . 0 0 "[ ]" 2
117 1 15 ARG HD3 1 15 ARG QH 2.400 . 3.500 2.231 2.231 2.231 . 0 0 "[ ]" 2
118 1 23 LEU QB 1 24 TRP H 2.400 . 3.500 2.633 2.633 2.633 . 0 0 "[ ]" 2
119 1 31 LYS QB 1 31 LYS HG2 2.400 . 3.500 2.179 2.179 2.179 . 0 0 "[ ]" 2
120 1 18 PHE QR 1 29 LEU MD1 2.400 . 3.500 1.806 1.806 1.806 . 0 0 "[ ]" 2
121 1 11 PHE HA 1 11 PHE QD 2.400 . 3.500 2.824 2.824 2.824 . 0 0 "[ ]" 2
122 1 21 LEU MD1 1 29 LEU MD1 2.400 . 3.500 1.960 1.960 1.960 . 0 0 "[ ]" 2
123 1 13 MET HB2 1 17 ALA MB 2.400 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 2
124 1 21 LEU HB3 1 21 LEU MD1 2.400 . 3.500 2.832 2.832 2.832 . 0 0 "[ ]" 2
125 1 14 THR H 1 17 ALA MB 2.400 . 3.500 2.585 2.585 2.585 . 0 0 "[ ]" 2
126 1 11 PHE QE 1 15 ARG HG2 2.400 . 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 2
127 1 18 PHE HA 1 21 LEU MD1 2.400 . 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 2
128 1 18 PHE QR 1 21 LEU QD 2.400 . 3.500 2.185 2.185 2.185 . 0 0 "[ ]" 2
129 1 25 LYS HB2 1 25 LYS QD 2.400 . 3.500 3.157 3.157 3.157 . 0 0 "[ ]" 2
130 1 29 LEU HB3 1 29 LEU MD2 2.400 . 3.500 2.217 2.217 2.217 . 0 0 "[ ]" 2
131 1 4 ASP QB 1 5 GLU H 2.400 . 3.500 2.077 2.077 2.077 . 0 0 "[ ]" 2
132 1 7 PHE QE 1 18 PHE HB2 2.400 . 3.500 3.197 3.197 3.197 . 0 0 "[ ]" 2
133 1 18 PHE QR 1 29 LEU HB2 2.400 . 3.500 1.942 1.942 1.942 . 0 0 "[ ]" 2
134 1 14 THR HA 1 14 THR HG1 2.400 . 3.500 1.909 1.909 1.909 . 0 0 "[ ]" 2
135 1 18 PHE QR 1 30 LYS HG3 2.400 . 3.500 1.822 1.822 1.822 . 0 0 "[ ]" 2
136 1 2 LEU QD 1 11 PHE QE 2.400 . 3.500 1.980 1.980 1.980 . 0 0 "[ ]" 2
137 1 15 ARG HD2 1 15 ARG QH 2.400 . 3.500 3.255 3.255 3.255 . 0 0 "[ ]" 2
138 1 30 LYS QB 1 32 GLU H 2.400 . 3.500 3.785 3.785 3.785 0.285 1 0 "[ ]" 2
139 1 17 ALA MB 1 18 PHE H 2.400 . 3.500 2.715 2.715 2.715 . 0 0 "[ ]" 2
140 1 6 ASP HA 1 9 ALA MB 2.400 . 3.500 3.607 3.607 3.607 0.107 1 0 "[ ]" 2
141 1 16 SER H 1 16 SER QB 2.400 . 3.500 2.076 2.076 2.076 . 0 0 "[ ]" 2
142 1 2 LEU QD 1 7 PHE HA 2.400 . 3.500 1.900 1.900 1.900 . 0 0 "[ ]" 2
143 1 10 VAL H 1 10 VAL MG2 2.400 . 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 2
144 1 13 MET HB3 1 17 ALA MB 2.400 . 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 2
145 1 18 PHE QR 1 29 LEU HB3 2.400 . 3.500 2.053 2.053 2.053 . 0 0 "[ ]" 2
146 1 15 ARG HD3 1 15 ARG HE 2.400 . 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 2
147 1 35 LEU H 1 35 LEU HG 2.400 . 3.500 2.536 2.536 2.536 . 0 0 "[ ]" 2
148 1 11 PHE HB3 1 11 PHE QD 2.400 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 2
149 1 35 LEU HA 1 35 LEU QD 2.400 . 3.500 3.297 3.297 3.297 . 0 0 "[ ]" 2
150 1 29 LEU MD2 1 29 LEU HG 2.400 . 3.500 2.111 2.111 2.111 . 0 0 "[ ]" 2
151 1 10 VAL HA 1 10 VAL MG1 2.400 . 3.500 2.479 2.479 2.479 . 0 0 "[ ]" 2
152 1 1 MET HA 1 1 MET QB 2.400 . 3.500 2.510 2.510 2.510 . 0 0 "[ ]" 2
153 1 15 ARG HE 1 15 ARG QH 2.400 . 3.500 2.180 2.180 2.180 . 0 0 "[ ]" 2
154 1 11 PHE HB2 1 11 PHE QD 2.400 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 2
155 1 29 LEU HB2 1 29 LEU MD1 2.400 . 3.500 2.332 2.332 2.332 . 0 0 "[ ]" 2
156 1 14 THR H 1 14 THR HG1 2.400 . 3.500 3.243 3.243 3.243 . 0 0 "[ ]" 2
157 1 23 LEU HA 1 23 LEU QD 2.400 . 3.500 1.809 1.809 1.809 . 0 0 "[ ]" 2
158 1 18 PHE QR 1 26 GLN HA 2.400 . 3.500 2.553 2.553 2.553 . 0 0 "[ ]" 2
159 1 13 MET HB3 1 13 MET QG 2.400 . 3.500 2.517 2.517 2.517 . 0 0 "[ ]" 2
160 1 4 ASP HA 1 4 ASP QB 2.400 . 3.500 2.468 2.468 2.468 . 0 0 "[ ]" 2
161 1 18 PHE HB2 1 18 PHE QR 2.400 . 3.500 2.616 2.616 2.616 . 0 0 "[ ]" 2
162 1 15 ARG HD2 1 18 PHE QR 2.400 . 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 2
163 1 18 PHE HB3 1 18 PHE QR 2.400 . 3.500 2.286 2.286 2.286 . 0 0 "[ ]" 2
164 1 2 LEU H 1 2 LEU QB 2.400 . 3.500 2.071 2.071 2.071 . 0 0 "[ ]" 2
165 1 4 ASP H 1 4 ASP QB 2.400 . 3.500 2.428 2.428 2.428 . 0 0 "[ ]" 2
166 1 29 LEU HA 1 29 LEU MD2 2.400 . 3.500 2.079 2.079 2.079 . 0 0 "[ ]" 2
167 1 21 LEU HA 1 21 LEU MD2 2.400 . 3.500 3.003 3.003 3.003 . 0 0 "[ ]" 2
168 1 5 GLU H 1 5 GLU QB 2.400 . 3.500 2.668 2.668 2.668 . 0 0 "[ ]" 2
169 1 7 PHE HB3 1 7 PHE QD 2.400 . 3.500 2.372 2.372 2.372 . 0 0 "[ ]" 2
170 1 23 LEU HA 1 23 LEU QB 2.400 . 3.500 2.520 2.520 2.520 . 0 0 "[ ]" 2
171 1 17 ALA H 1 17 ALA MB 2.400 . 3.500 2.058 2.058 2.058 . 0 0 "[ ]" 2
172 1 21 LEU MD1 1 21 LEU MD2 2.400 . 3.500 2.032 2.032 2.032 . 0 0 "[ ]" 2
173 1 10 VAL HB 1 10 VAL MG1 2.400 . 3.500 2.134 2.134 2.134 . 0 0 "[ ]" 2
174 1 10 VAL HA 1 10 VAL MG2 2.400 . 3.500 2.356 2.356 2.356 . 0 0 "[ ]" 2
175 1 23 LEU H 1 23 LEU QB 2.400 . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 2
176 1 21 LEU MD1 1 21 LEU HG 2.400 . 3.500 2.153 2.153 2.153 . 0 0 "[ ]" 2
177 1 9 ALA H 1 9 ALA MB 2.400 . 3.500 2.182 2.182 2.182 . 0 0 "[ ]" 2
178 1 7 PHE HB2 1 7 PHE QD 2.400 . 3.500 2.458 2.458 2.458 . 0 0 "[ ]" 2
179 1 21 LEU MD2 1 21 LEU HG 2.400 . 3.500 2.122 2.122 2.122 . 0 0 "[ ]" 2
180 1 8 LYS H 1 8 LYS QB 2.400 . 3.500 2.145 2.145 2.145 . 0 0 "[ ]" 2
181 1 16 SER HA 1 16 SER QB 2.400 . 3.500 2.550 2.550 2.550 . 0 0 "[ ]" 2
182 1 31 LYS H 1 31 LYS QB 2.400 . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 2
183 1 10 VAL MG1 1 10 VAL MG2 2.400 . 3.500 1.986 1.986 1.986 . 0 0 "[ ]" 2
184 1 13 MET HB2 1 13 MET QG 2.400 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 2
185 1 10 VAL HB 1 10 VAL MG2 2.400 . 3.500 2.145 2.145 2.145 . 0 0 "[ ]" 2
186 1 31 LYS QB 1 31 LYS HG3 2.400 . 3.500 2.506 2.506 2.506 . 0 0 "[ ]" 2
187 1 2 LEU QB 1 2 LEU QD 2.400 . 3.500 1.886 1.886 1.886 . 0 0 "[ ]" 2
188 1 35 LEU QB 1 35 LEU HG 2.400 . 3.500 2.486 2.486 2.486 . 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 18
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.152
_Distance_constraint_stats_list.Viol_max 0.095
_Distance_constraint_stats_list.Viol_rms 0.0238
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0508
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ASP 0.028 0.028 1 0 "[ ]"
1 5 GLU 0.030 0.030 1 0 "[ ]"
1 7 PHE 0.028 0.028 1 0 "[ ]"
1 8 LYS 0.030 0.030 1 0 "[ ]"
1 15 ARG 0.095 0.095 1 0 "[ ]"
1 18 PHE 0.095 0.095 1 0 "[ ]"
1 23 LEU 0.000 0.000 . 0 "[ ]"
1 24 TRP 0.000 0.000 . 0 "[ ]"
1 25 LYS 0.000 0.000 . 0 "[ ]"
1 27 GLN 0.000 0.000 . 0 "[ ]"
1 28 ASN 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 31 LYS 0.000 0.000 . 0 "[ ]"
1 32 GLU 0.000 0.000 . 0 "[ ]"
1 33 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 4 ASP O 1 7 PHE N 3.300 2.500 3.500 2.837 2.837 2.837 . 0 0 "[ ]" 3
2 1 4 ASP O 1 7 PHE H 2.300 . 2.500 2.528 2.528 2.528 0.028 1 0 "[ ]" 3
3 1 5 GLU O 1 8 LYS N 3.300 2.500 3.500 2.849 2.849 2.849 . 0 0 "[ ]" 3
4 1 5 GLU O 1 8 LYS H 2.300 . 2.500 2.530 2.530 2.530 0.030 1 0 "[ ]" 3
5 1 15 ARG O 1 18 PHE N 3.300 2.500 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 3
6 1 15 ARG O 1 18 PHE H 2.300 . 2.500 2.595 2.595 2.595 0.095 1 0 "[ ]" 3
7 1 23 LEU O 1 27 GLN N 3.300 2.500 3.500 3.136 3.136 3.136 . 0 0 "[ ]" 3
8 1 23 LEU O 1 27 GLN H 2.300 . 2.500 2.302 2.302 2.302 . 0 0 "[ ]" 3
9 1 24 TRP O 1 28 ASN N 3.300 2.500 3.500 3.187 3.187 3.187 . 0 0 "[ ]" 3
10 1 24 TRP O 1 28 ASN H 2.300 . 2.500 2.329 2.329 2.329 . 0 0 "[ ]" 3
11 1 25 LYS O 1 29 LEU N 3.300 2.500 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 3
12 1 25 LYS O 1 29 LEU H 2.300 . 2.500 2.021 2.021 2.021 . 0 0 "[ ]" 3
13 1 27 GLN O 1 31 LYS N 3.300 2.500 3.500 2.994 2.994 2.994 . 0 0 "[ ]" 3
14 1 27 GLN O 1 31 LYS H 2.300 . 2.500 2.108 2.108 2.108 . 0 0 "[ ]" 3
15 1 28 ASN O 1 32 GLU N 3.300 2.500 3.500 2.775 2.775 2.775 . 0 0 "[ ]" 3
16 1 28 ASN O 1 32 GLU H 2.300 . 2.500 1.898 1.898 1.898 . 0 0 "[ ]" 3
17 1 29 LEU O 1 33 LYS N 3.300 2.500 3.500 2.698 2.698 2.698 . 0 0 "[ ]" 3
18 1 29 LEU O 1 33 LYS H 2.300 . 2.500 1.994 1.994 1.994 . 0 0 "[ ]" 3
stop_
save_
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