NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368609 |
1awx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1awx
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 263
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 2.265
_Distance_constraint_stats_list.Viol_max 0.263
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0731
_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 5 THR 0.000 0.000 . 0 "[ ]"
1 6 SER 0.059 0.059 1 0 "[ ]"
1 7 GLU 0.059 0.059 1 0 "[ ]"
1 8 LEU 0.000 0.000 . 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 LYS 0.000 0.000 . 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 12 VAL 0.000 0.000 . 0 "[ ]"
1 13 ALA 0.000 0.000 . 0 "[ ]"
1 14 LEU 0.008 0.008 1 0 "[ ]"
1 15 TYR 0.044 0.044 1 0 "[ ]"
1 16 ASP 0.044 0.044 1 0 "[ ]"
1 17 TYR 0.049 0.049 1 0 "[ ]"
1 18 MET 0.000 0.000 . 0 "[ ]"
1 19 PRO 0.000 0.000 . 0 "[ ]"
1 20 MET 0.000 0.000 . 0 "[ ]"
1 21 ASN 0.072 0.072 1 0 "[ ]"
1 22 ALA 0.122 0.072 1 0 "[ ]"
1 23 ASN 0.051 0.051 1 0 "[ ]"
1 24 ASP 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 26 GLN 0.049 0.049 1 0 "[ ]"
1 27 LEU 0.084 0.077 1 0 "[ ]"
1 28 ARG 0.056 0.049 1 0 "[ ]"
1 29 LYS 0.330 0.173 1 0 "[ ]"
1 30 GLY 0.000 0.000 . 0 "[ ]"
1 31 ASP 0.221 0.113 1 0 "[ ]"
1 32 GLU 0.024 0.024 1 0 "[ ]"
1 33 TYR 0.317 0.263 1 0 "[ ]"
1 34 PHE 0.194 0.084 1 0 "[ ]"
1 35 ILE 0.084 0.084 1 0 "[ ]"
1 36 LEU 0.000 0.000 . 0 "[ ]"
1 37 GLU 0.000 0.000 . 0 "[ ]"
1 38 GLU 0.076 0.076 1 0 "[ ]"
1 39 SER 0.000 0.000 . 0 "[ ]"
1 40 ASN 0.000 0.000 . 0 "[ ]"
1 41 LEU 0.000 0.000 . 0 "[ ]"
1 42 PRO 0.000 0.000 . 0 "[ ]"
1 43 TRP 0.095 0.047 1 0 "[ ]"
1 44 TRP 0.154 0.122 1 0 "[ ]"
1 45 ARG 0.000 0.000 . 0 "[ ]"
1 46 ALA 0.149 0.149 1 0 "[ ]"
1 47 ARG 0.000 0.000 . 0 "[ ]"
1 48 ASP 0.163 0.096 1 0 "[ ]"
1 49 LYS 0.019 0.010 1 0 "[ ]"
1 50 ASN 0.170 0.170 1 0 "[ ]"
1 51 GLY 0.010 0.010 1 0 "[ ]"
1 52 GLN 0.026 0.026 1 0 "[ ]"
1 53 GLU 0.000 0.000 . 0 "[ ]"
1 54 GLY 0.149 0.149 1 0 "[ ]"
1 55 TYR 0.000 0.000 . 0 "[ ]"
1 56 ILE 0.000 0.000 . 0 "[ ]"
1 57 PRO 0.000 0.000 . 0 "[ ]"
1 58 SER 0.015 0.015 1 0 "[ ]"
1 59 ASN 0.222 0.204 1 0 "[ ]"
1 60 TYR 0.204 0.204 1 0 "[ ]"
1 61 VAL 0.008 0.008 1 0 "[ ]"
1 62 THR 0.000 0.000 . 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 ALA 0.000 0.000 . 0 "[ ]"
1 65 GLU 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 5 THR HA 1 6 SER H 5.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
2 1 6 SER HA 1 7 GLU H 3.500 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
3 1 6 SER QB 1 7 GLU H 5.000 . 5.700 2.082 2.082 2.082 . 0 0 "[ ]" 1
4 1 7 GLU H 1 8 LEU H 5.000 . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 1
5 1 7 GLU HA 1 8 LEU H 2.800 . 2.800 2.554 2.554 2.554 . 0 0 "[ ]" 1
6 1 7 GLU QB 1 8 LEU H 5.000 . 5.700 3.937 3.937 3.937 . 0 0 "[ ]" 1
7 1 8 LEU H 1 8 LEU QB 3.500 . 4.200 2.751 2.751 2.751 . 0 0 "[ ]" 1
8 1 8 LEU QB 1 9 LYS H 5.000 . 5.700 3.928 3.928 3.928 . 0 0 "[ ]" 1
9 1 8 LEU QD 1 9 LYS H 5.000 . 6.500 3.584 3.584 3.584 . 0 0 "[ ]" 1
10 1 9 LYS HA 1 10 LYS H 2.800 . 2.800 2.753 2.753 2.753 . 0 0 "[ ]" 1
11 1 9 LYS QG 1 10 LYS H 5.000 . 5.700 3.028 3.028 3.028 . 0 0 "[ ]" 1
12 1 9 LYS H 1 35 ILE H 5.000 . 5.000 4.938 4.938 4.938 . 0 0 "[ ]" 1
13 1 9 LYS H 1 35 ILE HB 3.500 . 3.500 3.404 3.404 3.404 . 0 0 "[ ]" 1
14 1 10 LYS H 1 10 LYS QB 3.500 . 4.200 2.184 2.184 2.184 . 0 0 "[ ]" 1
15 1 10 LYS HA 1 11 VAL H 2.800 . 2.800 2.673 2.673 2.673 . 0 0 "[ ]" 1
16 1 10 LYS QB 1 11 VAL H 5.000 . 5.700 2.080 2.080 2.080 . 0 0 "[ ]" 1
17 1 10 LYS QG 1 11 VAL H 3.500 . 4.200 3.543 3.543 3.543 . 0 0 "[ ]" 1
18 1 10 LYS QG 1 33 TYR H 5.000 . 5.700 4.911 4.911 4.911 . 0 0 "[ ]" 1
19 1 11 VAL HA 1 12 VAL H 2.800 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1
20 1 11 VAL HB 1 12 VAL H 2.800 . 2.800 2.706 2.706 2.706 . 0 0 "[ ]" 1
21 1 11 VAL QG 1 12 VAL H 5.000 . 6.500 3.313 3.313 3.313 . 0 0 "[ ]" 1
22 1 11 VAL H 1 33 TYR H 5.000 . 5.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
23 1 11 VAL QG 1 33 TYR H 3.500 . 5.000 2.440 2.440 2.440 . 0 0 "[ ]" 1
24 1 11 VAL H 1 34 PHE HA 5.000 . 5.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
25 1 11 VAL HB 1 62 THR H 3.500 . 3.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
26 1 11 VAL QG 1 64 ALA H 5.000 . 6.500 3.380 3.380 3.380 . 0 0 "[ ]" 1
27 1 12 VAL H 1 12 VAL HB 3.500 . 3.500 2.039 2.039 2.039 . 0 0 "[ ]" 1
28 1 12 VAL HA 1 13 ALA H 3.500 . 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 1
29 1 12 VAL HB 1 13 ALA H 5.000 . 5.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
30 1 12 VAL MG1 1 30 GLY H 5.000 . 5.400 3.763 3.763 3.763 . 0 0 "[ ]" 1
31 1 12 VAL MG1 1 62 THR H 5.000 . 5.400 3.112 3.112 3.112 . 0 0 "[ ]" 1
32 1 12 VAL MG2 1 62 THR H 5.000 . 5.400 4.592 4.592 4.592 . 0 0 "[ ]" 1
33 1 12 VAL H 1 64 ALA H 5.000 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
34 1 13 ALA HA 1 14 LEU H 2.800 . 2.800 2.233 2.233 2.233 . 0 0 "[ ]" 1
35 1 13 ALA MB 1 14 LEU H 5.000 . 5.400 3.175 3.175 3.175 . 0 0 "[ ]" 1
36 1 14 LEU H 1 14 LEU HB2 3.500 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
37 1 14 LEU H 1 14 LEU HG 3.500 . 3.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
38 1 14 LEU HB2 1 15 TYR H 3.500 . 3.500 1.997 1.997 1.997 . 0 0 "[ ]" 1
39 1 14 LEU HG 1 15 TYR H 5.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
40 1 14 LEU QD 1 15 TYR H 5.000 . 6.500 3.645 3.645 3.645 . 0 0 "[ ]" 1
41 1 14 LEU H 1 61 VAL HA 3.500 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
42 1 14 LEU HG 1 61 VAL H 5.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
43 1 14 LEU H 1 15 TYR H 2.800 . 2.800 2.771 2.771 2.771 . 0 0 "[ ]" 1
44 1 15 TYR H 1 15 TYR HB2 3.500 . 3.500 2.402 2.402 2.402 . 0 0 "[ ]" 1
45 1 15 TYR H 1 16 ASP H 5.000 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
46 1 15 TYR HB2 1 16 ASP H 3.500 . 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 1
47 1 15 TYR H 1 29 LYS HA 5.000 . 5.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
48 1 16 ASP H 1 16 ASP HB3 3.500 . 3.500 3.459 3.459 3.459 . 0 0 "[ ]" 1
49 1 16 ASP H 1 16 ASP HB2 2.800 . 2.800 2.100 2.100 2.100 . 0 0 "[ ]" 1
50 1 16 ASP HB3 1 17 TYR H 3.500 . 3.500 2.825 2.825 2.825 . 0 0 "[ ]" 1
51 1 16 ASP H 1 29 LYS QB 3.500 . 4.200 3.452 3.452 3.452 . 0 0 "[ ]" 1
52 1 17 TYR QB 1 18 MET H 5.000 . 5.700 4.069 4.069 4.069 . 0 0 "[ ]" 1
53 1 17 TYR QD 1 18 MET H 5.000 . 7.000 3.321 3.321 3.321 . 0 0 "[ ]" 1
54 1 17 TYR H 1 26 GLN HA 5.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
55 1 17 TYR H 1 27 LEU HB2 3.500 . 3.500 3.496 3.496 3.496 . 0 0 "[ ]" 1
56 1 18 MET H 1 18 MET HB3 3.500 . 3.500 3.500 3.500 3.500 . 0 0 "[ ]" 1
57 1 19 PRO HA 1 20 MET H 2.800 . 2.800 2.424 2.424 2.424 . 0 0 "[ ]" 1
58 1 19 PRO QB 1 20 MET H . . 4.200 2.766 2.766 2.766 . 0 0 "[ ]" 1
59 1 19 PRO HA 1 21 ASN H 5.000 . 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
60 1 19 PRO QB 1 21 ASN H 5.000 . 5.700 3.786 3.786 3.786 . 0 0 "[ ]" 1
61 1 19 PRO QB 1 24 ASP H 5.000 . 5.700 4.243 4.243 4.243 . 0 0 "[ ]" 1
62 1 20 MET HA 1 21 ASN H 5.000 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
63 1 20 MET QG 1 21 ASN H 3.500 . 4.200 3.808 3.808 3.808 . 0 0 "[ ]" 1
64 1 21 ASN H 1 21 ASN QB 3.500 . 4.200 2.328 2.328 2.328 . 0 0 "[ ]" 1
65 1 21 ASN HA 1 22 ALA H 3.500 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1
66 1 21 ASN QB 1 22 ALA H 5.000 . 5.700 2.322 2.322 2.322 . 0 0 "[ ]" 1
67 1 21 ASN QB 1 23 ASN H 5.000 . 5.700 3.347 3.347 3.347 . 0 0 "[ ]" 1
68 1 21 ASN H 1 24 ASP QB 5.000 . 5.700 3.416 3.416 3.416 . 0 0 "[ ]" 1
69 1 21 ASN QB 1 24 ASP H 5.000 . 5.700 4.496 4.496 4.496 . 0 0 "[ ]" 1
70 1 22 ALA HA 1 23 ASN H 3.500 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
71 1 22 ALA MB 1 23 ASN H 5.000 . 5.400 2.573 2.573 2.573 . 0 0 "[ ]" 1
72 1 22 ALA HA 1 24 ASP H 5.000 . 5.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
73 1 23 ASN HB3 1 24 ASP H 5.000 . 5.000 2.653 2.653 2.653 . 0 0 "[ ]" 1
74 1 24 ASP H 1 24 ASP QB 3.500 . 4.200 2.403 2.403 2.403 . 0 0 "[ ]" 1
75 1 24 ASP H 1 25 LEU H 5.000 . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
76 1 24 ASP HA 1 25 LEU H 2.800 . 2.800 2.245 2.245 2.245 . 0 0 "[ ]" 1
77 1 24 ASP QB 1 25 LEU H 3.500 . 4.200 3.089 3.089 3.089 . 0 0 "[ ]" 1
78 1 25 LEU HA 1 26 GLN H 3.500 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 1
79 1 25 LEU QB 1 26 GLN H 5.000 . 5.700 3.628 3.628 3.628 . 0 0 "[ ]" 1
80 1 25 LEU QD 1 26 GLN H 3.500 . 5.000 3.154 3.154 3.154 . 0 0 "[ ]" 1
81 1 25 LEU QD 1 46 ALA H 5.000 . 6.500 3.786 3.786 3.786 . 0 0 "[ ]" 1
82 1 25 LEU H 1 54 GLY QA 5.000 . 5.700 3.200 3.200 3.200 . 0 0 "[ ]" 1
83 1 25 LEU QB 1 54 GLY H 5.000 . 5.700 3.128 3.128 3.128 . 0 0 "[ ]" 1
84 1 25 LEU QD 1 54 GLY H 5.000 . 6.500 2.140 2.140 2.140 . 0 0 "[ ]" 1
85 1 26 GLN HA 1 27 LEU H 2.800 . 2.800 2.363 2.363 2.363 . 0 0 "[ ]" 1
86 1 26 GLN QG 1 27 LEU H 5.000 . 5.700 3.739 3.739 3.739 . 0 0 "[ ]" 1
87 1 27 LEU H 1 27 LEU HG 3.500 . 3.500 3.577 3.577 3.577 0.077 1 0 "[ ]" 1
88 1 27 LEU HA 1 28 ARG H 2.800 . 2.800 2.722 2.722 2.722 . 0 0 "[ ]" 1
89 1 27 LEU HB2 1 28 ARG H 3.500 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
90 1 27 LEU HG 1 28 ARG H 3.500 . 4.200 3.668 3.668 3.668 . 0 0 "[ ]" 1
91 1 27 LEU QD 1 28 ARG H 5.000 . 6.500 3.043 3.043 3.043 . 0 0 "[ ]" 1
92 1 28 ARG H 1 28 ARG QB 3.500 . 4.200 2.815 2.815 2.815 . 0 0 "[ ]" 1
93 1 28 ARG HA 1 29 LYS H 2.800 . 2.800 2.849 2.849 2.849 0.049 1 0 "[ ]" 1
94 1 28 ARG QB 1 29 LYS H 3.500 . 4.200 2.210 2.210 2.210 . 0 0 "[ ]" 1
95 1 28 ARG H 1 31 ASP QB 5.000 . 5.700 3.712 3.712 3.712 . 0 0 "[ ]" 1
96 1 29 LYS H 1 29 LYS HA 2.800 . 2.800 2.973 2.973 2.973 0.173 1 0 "[ ]" 1
97 1 29 LYS H 1 29 LYS QB 3.500 . 4.200 2.363 2.363 2.363 . 0 0 "[ ]" 1
98 1 29 LYS HA 1 30 GLY H 2.800 . 2.800 2.185 2.185 2.185 . 0 0 "[ ]" 1
99 1 29 LYS QB 1 30 GLY H 5.000 . 5.700 3.900 3.900 3.900 . 0 0 "[ ]" 1
100 1 29 LYS QG 1 30 GLY H 3.500 . 4.200 2.948 2.948 2.948 . 0 0 "[ ]" 1
101 1 29 LYS HA 1 31 ASP H 3.500 . 3.500 3.608 3.608 3.608 0.108 1 0 "[ ]" 1
102 1 30 GLY H 1 31 ASP H 3.500 . 3.500 2.733 2.733 2.733 . 0 0 "[ ]" 1
103 1 30 GLY QA 1 31 ASP H 3.500 . 4.200 2.887 2.887 2.887 . 0 0 "[ ]" 1
104 1 31 ASP H 1 31 ASP HA 2.800 . 2.800 2.913 2.913 2.913 0.113 1 0 "[ ]" 1
105 1 31 ASP H 1 31 ASP QB 3.500 . 4.200 2.160 2.160 2.160 . 0 0 "[ ]" 1
106 1 31 ASP HA 1 32 GLU H 2.800 . 2.800 2.456 2.456 2.456 . 0 0 "[ ]" 1
107 1 31 ASP QB 1 32 GLU H 3.500 . 4.200 3.270 3.270 3.270 . 0 0 "[ ]" 1
108 1 32 GLU H 1 32 GLU QG 3.500 . 4.200 3.146 3.146 3.146 . 0 0 "[ ]" 1
109 1 32 GLU HA 1 33 TYR H 2.800 . 2.800 2.447 2.447 2.447 . 0 0 "[ ]" 1
110 1 32 GLU HB2 1 33 TYR H 3.500 . 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1
111 1 32 GLU QG 1 33 TYR H 5.000 . 5.700 4.278 4.278 4.278 . 0 0 "[ ]" 1
112 1 33 TYR H 1 33 TYR HB3 3.500 . 3.500 3.763 3.763 3.763 0.263 1 0 "[ ]" 1
113 1 33 TYR HA 1 34 PHE H 2.800 . 2.800 2.677 2.677 2.677 . 0 0 "[ ]" 1
114 1 33 TYR HB2 1 34 PHE H 2.800 . 2.800 2.831 2.831 2.831 0.031 1 0 "[ ]" 1
115 1 33 TYR QD 1 34 PHE H 5.000 . 7.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
116 1 34 PHE H 1 34 PHE HB3 3.500 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
117 1 34 PHE H 1 34 PHE QD 5.000 . 5.500 3.074 3.074 3.074 . 0 0 "[ ]" 1
118 1 34 PHE HB3 1 35 ILE H 3.500 . 3.500 3.584 3.584 3.584 0.084 1 0 "[ ]" 1
119 1 34 PHE H 1 46 ALA MB 5.000 . 5.400 3.277 3.277 3.277 . 0 0 "[ ]" 1
120 1 34 PHE H 1 47 ARG HB2 5.000 . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
121 1 34 PHE HB2 1 47 ARG H 3.500 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
122 1 34 PHE H 1 48 ASP HA 3.500 . 3.500 3.557 3.557 3.557 0.057 1 0 "[ ]" 1
123 1 35 ILE H 1 35 ILE HB 2.800 . 2.800 2.416 2.416 2.416 . 0 0 "[ ]" 1
124 1 35 ILE H 1 35 ILE MD 5.000 . 5.400 3.296 3.296 3.296 . 0 0 "[ ]" 1
125 1 35 ILE MD 1 36 LEU H 5.000 . 5.400 3.556 3.556 3.556 . 0 0 "[ ]" 1
126 1 35 ILE H 1 46 ALA MB 5.000 . 5.400 3.676 3.676 3.676 . 0 0 "[ ]" 1
127 1 35 ILE HA 1 47 ARG H 5.000 . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
128 1 36 LEU H 1 36 LEU QB 3.500 . 4.200 2.309 2.309 2.309 . 0 0 "[ ]" 1
129 1 36 LEU H 1 37 GLU H 3.500 . 3.500 1.970 1.970 1.970 . 0 0 "[ ]" 1
130 1 36 LEU QB 1 37 GLU H 3.500 . 4.200 2.899 2.899 2.899 . 0 0 "[ ]" 1
131 1 36 LEU QD 1 37 GLU H 5.000 . 6.500 3.847 3.847 3.847 . 0 0 "[ ]" 1
132 1 36 LEU H 1 46 ALA HA 3.500 . 3.500 2.643 2.643 2.643 . 0 0 "[ ]" 1
133 1 36 LEU QD 1 46 ALA H 5.000 . 6.500 4.261 4.261 4.261 . 0 0 "[ ]" 1
134 1 37 GLU H 1 37 GLU QB 3.500 . 4.200 2.402 2.402 2.402 . 0 0 "[ ]" 1
135 1 37 GLU HA 1 38 GLU H 2.800 . 2.800 2.796 2.796 2.796 . 0 0 "[ ]" 1
136 1 37 GLU QB 1 38 GLU H 5.000 . 5.700 2.312 2.312 2.312 . 0 0 "[ ]" 1
137 1 37 GLU QG 1 38 GLU H . . 4.200 2.027 2.027 2.027 . 0 0 "[ ]" 1
138 1 37 GLU QB 1 45 ARG H 5.000 . 5.700 2.642 2.642 2.642 . 0 0 "[ ]" 1
139 1 38 GLU H 1 38 GLU HB3 3.500 . 3.500 3.576 3.576 3.576 0.076 1 0 "[ ]" 1
140 1 38 GLU HA 1 39 SER H 2.800 . 2.800 2.788 2.788 2.788 . 0 0 "[ ]" 1
141 1 38 GLU HB2 1 39 SER H 5.000 . 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
142 1 38 GLU QG 1 39 SER H 5.000 . 5.700 3.626 3.626 3.626 . 0 0 "[ ]" 1
143 1 39 SER HA 1 40 ASN H 3.500 . 3.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
144 1 39 SER HB2 1 40 ASN H 5.000 . 5.000 3.254 3.254 3.254 . 0 0 "[ ]" 1
145 1 39 SER HB3 1 41 LEU H 5.000 . 5.000 3.225 3.225 3.225 . 0 0 "[ ]" 1
146 1 40 ASN H 1 41 LEU H 5.000 . 5.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
147 1 40 ASN HA 1 41 LEU H 5.000 . 5.000 3.108 3.108 3.108 . 0 0 "[ ]" 1
148 1 40 ASN QB 1 41 LEU H 5.000 . 5.700 3.732 3.732 3.732 . 0 0 "[ ]" 1
149 1 41 LEU H 1 41 LEU HB3 3.500 . 3.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
150 1 41 LEU H 1 41 LEU HG 3.500 . 3.500 2.313 2.313 2.313 . 0 0 "[ ]" 1
151 1 42 PRO HA 1 43 TRP H 5.000 . 5.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
152 1 42 PRO QB 1 43 TRP H 3.500 . 4.200 2.827 2.827 2.827 . 0 0 "[ ]" 1
153 1 42 PRO QG 1 43 TRP H 5.000 . 5.700 3.096 3.096 3.096 . 0 0 "[ ]" 1
154 1 42 PRO QD 1 43 TRP H 5.000 . 5.700 2.824 2.824 2.824 . 0 0 "[ ]" 1
155 1 42 PRO HA 1 58 SER H 3.500 . 3.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
156 1 43 TRP H 1 43 TRP HB3 3.500 . 3.500 3.547 3.547 3.547 0.047 1 0 "[ ]" 1
157 1 43 TRP HA 1 44 TRP H 2.800 . 2.800 2.205 2.205 2.205 . 0 0 "[ ]" 1
158 1 43 TRP HB3 1 44 TRP H 3.500 . 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1
159 1 43 TRP HA 1 58 SER H . . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
160 1 44 TRP H 1 44 TRP HB3 3.500 . 3.500 3.622 3.622 3.622 0.122 1 0 "[ ]" 1
161 1 44 TRP H 1 44 TRP HD1 5.000 . 5.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
162 1 44 TRP HA 1 45 ARG H 2.800 . 2.800 2.778 2.778 2.778 . 0 0 "[ ]" 1
163 1 44 TRP HB3 1 45 ARG H 2.800 . 2.800 1.921 1.921 1.921 . 0 0 "[ ]" 1
164 1 44 TRP H 1 56 ILE HB 3.500 . 3.500 3.320 3.320 3.320 . 0 0 "[ ]" 1
165 1 44 TRP H 1 57 PRO HA 5.000 . 5.000 3.927 3.927 3.927 . 0 0 "[ ]" 1
166 1 44 TRP H 1 58 SER H 5.000 . 5.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
167 1 44 TRP HE1 1 58 SER QB 5.000 . 5.700 2.939 2.939 2.939 . 0 0 "[ ]" 1
168 1 45 ARG H 1 45 ARG QB 3.500 . 4.200 2.490 2.490 2.490 . 0 0 "[ ]" 1
169 1 45 ARG H 1 45 ARG QD 5.000 . 5.700 4.615 4.615 4.615 . 0 0 "[ ]" 1
170 1 45 ARG HA 1 46 ALA H 2.800 . 2.800 2.479 2.479 2.479 . 0 0 "[ ]" 1
171 1 45 ARG QB 1 46 ALA H 5.000 . 5.700 3.988 3.988 3.988 . 0 0 "[ ]" 1
172 1 45 ARG QG 1 46 ALA H 5.000 . 5.700 4.107 4.107 4.107 . 0 0 "[ ]" 1
173 1 45 ARG HA 1 54 GLY H 5.000 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
174 1 45 ARG HA 1 56 ILE H 5.000 . 5.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
175 1 46 ALA HA 1 47 ARG H 2.800 . 2.800 2.367 2.367 2.367 . 0 0 "[ ]" 1
176 1 46 ALA MB 1 47 ARG H 3.500 . 3.900 2.838 2.838 2.838 . 0 0 "[ ]" 1
177 1 46 ALA H 1 54 GLY H 3.500 . 3.500 3.649 3.649 3.649 0.149 1 0 "[ ]" 1
178 1 46 ALA MB 1 54 GLY H 5.000 . 5.400 4.491 4.491 4.491 . 0 0 "[ ]" 1
179 1 46 ALA H 1 55 TYR HA 5.000 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
180 1 46 ALA H 1 56 ILE MD 5.000 . 5.400 1.921 1.921 1.921 . 0 0 "[ ]" 1
181 1 47 ARG HA 1 48 ASP H 2.800 . 2.800 2.369 2.369 2.369 . 0 0 "[ ]" 1
182 1 47 ARG QG 1 48 ASP H 3.500 . 4.200 3.837 3.837 3.837 . 0 0 "[ ]" 1
183 1 48 ASP H 1 48 ASP HB2 3.500 . 3.500 3.596 3.596 3.596 0.096 1 0 "[ ]" 1
184 1 48 ASP HA 1 49 LYS H 3.500 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
185 1 48 ASP HB3 1 49 LYS H 3.500 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
186 1 48 ASP HB3 1 50 ASN H 5.000 . 5.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
187 1 48 ASP H 1 52 GLN H 5.000 . 5.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
188 1 49 LYS H 1 49 LYS QG 3.500 . 4.200 2.680 2.680 2.680 . 0 0 "[ ]" 1
189 1 49 LYS H 1 49 LYS QB 3.500 . 4.200 2.239 2.239 2.239 . 0 0 "[ ]" 1
190 1 49 LYS H 1 50 ASN H . . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
191 1 49 LYS HA 1 50 ASN H 3.500 . 3.500 2.933 2.933 2.933 . 0 0 "[ ]" 1
192 1 49 LYS QG 1 50 ASN H 5.000 . 5.700 4.471 4.471 4.471 . 0 0 "[ ]" 1
193 1 49 LYS QB 1 50 ASN H 5.000 . 5.700 3.801 3.801 3.801 . 0 0 "[ ]" 1
194 1 49 LYS H 1 51 GLY H 5.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
195 1 49 LYS HA 1 51 GLY H 5.000 . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 1
196 1 50 ASN H 1 50 ASN HA 2.800 . 2.800 2.970 2.970 2.970 0.170 1 0 "[ ]" 1
197 1 50 ASN H 1 50 ASN HB2 2.800 . 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1
198 1 50 ASN HA 1 51 GLY H 3.500 . 3.500 3.121 3.121 3.121 . 0 0 "[ ]" 1
199 1 50 ASN HB3 1 51 GLY H 5.000 . 5.000 4.267 4.267 4.267 . 0 0 "[ ]" 1
200 1 50 ASN HB3 1 52 GLN H 5.000 . 5.000 4.014 4.014 4.014 . 0 0 "[ ]" 1
201 1 51 GLY QA 1 52 GLN H 5.000 . 5.700 2.822 2.822 2.822 . 0 0 "[ ]" 1
202 1 52 GLN H 1 52 GLN HB3 3.500 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
203 1 52 GLN HA 1 53 GLU H 2.800 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 1
204 1 52 GLN HB3 1 53 GLU H 3.500 . 3.500 3.234 3.234 3.234 . 0 0 "[ ]" 1
205 1 52 GLN QG 1 53 GLU H 5.000 . 5.700 3.662 3.662 3.662 . 0 0 "[ ]" 1
206 1 53 GLU H 1 53 GLU QB 3.500 . 4.200 2.796 2.796 2.796 . 0 0 "[ ]" 1
207 1 53 GLU HA 1 54 GLY H 2.800 . 2.800 2.325 2.325 2.325 . 0 0 "[ ]" 1
208 1 53 GLU QG 1 54 GLY H 5.000 . 5.700 3.866 3.866 3.866 . 0 0 "[ ]" 1
209 1 53 GLU QB 1 54 GLY H 3.500 . 4.200 2.835 2.835 2.835 . 0 0 "[ ]" 1
210 1 54 GLY QA 1 55 TYR H 3.500 . 4.200 2.277 2.277 2.277 . 0 0 "[ ]" 1
211 1 54 GLY H 1 55 TYR H 5.000 . 5.000 4.248 4.248 4.248 . 0 0 "[ ]" 1
212 1 55 TYR H 1 55 TYR HB2 2.800 . 2.800 2.236 2.236 2.236 . 0 0 "[ ]" 1
213 1 55 TYR H 1 55 TYR QD 5.000 . 7.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
214 1 55 TYR HA 1 56 ILE H 2.800 . 2.800 2.260 2.260 2.260 . 0 0 "[ ]" 1
215 1 56 ILE H 1 56 ILE MD 5.000 . 5.400 2.732 2.732 2.732 . 0 0 "[ ]" 1
216 1 57 PRO HA 1 58 SER H 2.800 . 2.800 2.220 2.220 2.220 . 0 0 "[ ]" 1
217 1 57 PRO QB 1 58 SER H 5.000 . 5.700 3.424 3.424 3.424 . 0 0 "[ ]" 1
218 1 57 PRO QB 1 59 ASN H 5.000 . 5.700 3.315 3.315 3.315 . 0 0 "[ ]" 1
219 1 57 PRO QB 1 60 TYR H 5.000 . 5.700 2.177 2.177 2.177 . 0 0 "[ ]" 1
220 1 58 SER HA 1 59 ASN H 5.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
221 1 58 SER HA 1 60 TYR H 5.000 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
222 1 59 ASN H 1 59 ASN HB2 3.500 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
223 1 59 ASN H 1 60 TYR H 3.500 . 3.500 2.666 2.666 2.666 . 0 0 "[ ]" 1
224 1 59 ASN HA 1 60 TYR H 5.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
225 1 59 ASN HB3 1 60 TYR H 3.500 . 3.500 3.704 3.704 3.704 0.204 1 0 "[ ]" 1
226 1 59 ASN HA 1 61 VAL H 5.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
227 1 60 TYR H 1 60 TYR HB3 3.500 . 3.500 3.409 3.409 3.409 . 0 0 "[ ]" 1
228 1 60 TYR H 1 61 VAL QG 5.000 . 6.500 3.662 3.662 3.662 . 0 0 "[ ]" 1
229 1 60 TYR HA 1 61 VAL H 5.000 . 5.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
230 1 60 TYR HB2 1 61 VAL H 5.000 . 5.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
231 1 61 VAL H 1 61 VAL QG 3.500 . 5.000 1.949 1.949 1.949 . 0 0 "[ ]" 1
232 1 61 VAL H 1 62 THR H 5.000 . 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
233 1 61 VAL HA 1 62 THR H 2.800 . 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1
234 1 61 VAL HB 1 62 THR H 3.500 . 3.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
235 1 61 VAL QG 1 62 THR H 5.000 . 6.500 3.168 3.168 3.168 . 0 0 "[ ]" 1
236 1 62 THR H 1 62 THR MG 3.500 . 3.900 1.968 1.968 1.968 . 0 0 "[ ]" 1
237 1 62 THR HA 1 63 GLU H 5.000 . 5.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
238 1 62 THR HB 1 63 GLU H 5.000 . 5.000 3.466 3.466 3.466 . 0 0 "[ ]" 1
239 1 62 THR MG 1 63 GLU H 5.000 . 5.400 1.953 1.953 1.953 . 0 0 "[ ]" 1
240 1 63 GLU H 1 63 GLU QB 3.500 . 4.200 2.059 2.059 2.059 . 0 0 "[ ]" 1
241 1 63 GLU HA 1 64 ALA H 5.000 . 5.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
242 1 63 GLU QB 1 64 ALA H 5.000 . 5.700 3.255 3.255 3.255 . 0 0 "[ ]" 1
243 1 63 GLU QG 1 64 ALA H 5.000 . 5.700 3.598 3.598 3.598 . 0 0 "[ ]" 1
244 1 64 ALA HA 1 65 GLU H 5.000 . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
245 1 64 ALA MB 1 65 GLU H 5.000 . 5.400 2.600 2.600 2.600 . 0 0 "[ ]" 1
246 1 65 GLU H 1 65 GLU HB2 3.500 . 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 1
247 1 10 LYS HA 1 35 ILE H 5.000 . 5.000 2.280 2.280 2.280 . 0 0 "[ ]" 1
248 1 11 VAL QG 1 34 PHE H 5.000 . 6.500 4.029 4.029 4.029 . 0 0 "[ ]" 1
249 1 11 VAL QG 1 63 GLU H 5.000 . 6.500 4.589 4.589 4.589 . 0 0 "[ ]" 1
250 1 12 VAL H 1 61 VAL HA 5.000 . 5.000 4.424 4.424 4.424 . 0 0 "[ ]" 1
251 1 12 VAL H 1 62 THR MG . . 3.900 2.413 2.413 2.413 . 0 0 "[ ]" 1
252 1 13 ALA MB 1 30 GLY H 5.000 . 5.400 2.710 2.710 2.710 . 0 0 "[ ]" 1
253 1 13 ALA H 1 33 TYR QE 5.000 . 5.500 4.213 4.213 4.213 . 0 0 "[ ]" 1
254 1 24 ASP HA 1 55 TYR H 2.800 . 2.800 2.296 2.296 2.296 . 0 0 "[ ]" 1
255 1 25 LEU QD 1 47 ARG H 5.000 . 6.500 3.710 3.710 3.710 . 0 0 "[ ]" 1
256 1 25 LEU QD 1 48 ASP H 5.000 . 5.000 2.553 2.553 2.553 . 0 0 "[ ]" 1
257 1 25 LEU QD 1 53 GLU H 5.000 . 6.500 3.688 3.688 3.688 . 0 0 "[ ]" 1
258 1 28 ARG H 1 33 TYR QE 5.000 . 5.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
259 1 13 ALA MB 1 31 ASP H 5.000 . 5.400 2.642 2.642 2.642 . 0 0 "[ ]" 1
260 1 31 ASP H 1 33 TYR QE 5.000 . 5.500 5.279 5.279 5.279 . 0 0 "[ ]" 1
261 1 35 ILE MD 1 37 GLU H 5.000 . 5.400 4.214 4.214 4.214 . 0 0 "[ ]" 1
262 1 36 LEU H 1 46 ALA MB 5.000 . 5.400 3.294 3.294 3.294 . 0 0 "[ ]" 1
263 1 60 TYR H 1 61 VAL H . . 2.800 2.740 2.740 2.740 . 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 202
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 1.464
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0324
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0813
_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 SER 0.000 0.000 . 0 "[ ]"
1 5 THR 0.000 0.000 . 0 "[ ]"
1 6 SER 0.000 0.000 . 0 "[ ]"
1 7 GLU 0.000 0.000 . 0 "[ ]"
1 8 LEU 0.000 0.000 . 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 LYS 0.000 0.000 . 0 "[ ]"
1 11 VAL 0.046 0.046 1 0 "[ ]"
1 12 VAL 0.570 0.251 1 0 "[ ]"
1 13 ALA 0.000 0.000 . 0 "[ ]"
1 14 LEU 0.067 0.065 1 0 "[ ]"
1 15 TYR 0.065 0.065 1 0 "[ ]"
1 17 TYR 0.000 0.000 . 0 "[ ]"
1 18 MET 0.000 0.000 . 0 "[ ]"
1 19 PRO 0.000 0.000 . 0 "[ ]"
1 20 MET 0.000 0.000 . 0 "[ ]"
1 21 ASN 0.000 0.000 . 0 "[ ]"
1 22 ALA 0.000 0.000 . 0 "[ ]"
1 23 ASN 0.462 0.264 1 0 "[ ]"
1 24 ASP 0.307 0.264 1 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 26 GLN 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.000 0.000 . 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 GLY 0.000 0.000 . 0 "[ ]"
1 31 ASP 0.000 0.000 . 0 "[ ]"
1 32 GLU 0.264 0.251 1 0 "[ ]"
1 33 TYR 0.019 0.019 1 0 "[ ]"
1 34 PHE 0.054 0.054 1 0 "[ ]"
1 35 ILE 0.000 0.000 . 0 "[ ]"
1 36 LEU 0.006 0.006 1 0 "[ ]"
1 37 GLU 0.006 0.006 1 0 "[ ]"
1 38 GLU 0.031 0.031 1 0 "[ ]"
1 39 SER 0.087 0.087 1 0 "[ ]"
1 41 LEU 0.000 0.000 . 0 "[ ]"
1 42 PRO 0.000 0.000 . 0 "[ ]"
1 43 TRP 0.020 0.020 1 0 "[ ]"
1 44 TRP 0.118 0.087 1 0 "[ ]"
1 45 ARG 0.108 0.108 1 0 "[ ]"
1 46 ALA 0.000 0.000 . 0 "[ ]"
1 47 ARG 0.054 0.054 1 0 "[ ]"
1 48 ASP 0.000 0.000 . 0 "[ ]"
1 49 LYS 0.000 0.000 . 0 "[ ]"
1 50 ASN 0.000 0.000 . 0 "[ ]"
1 51 GLY 0.000 0.000 . 0 "[ ]"
1 52 GLN 0.000 0.000 . 0 "[ ]"
1 53 GLU 0.000 0.000 . 0 "[ ]"
1 54 GLY 0.000 0.000 . 0 "[ ]"
1 55 TYR 0.108 0.108 1 0 "[ ]"
1 56 ILE 0.000 0.000 . 0 "[ ]"
1 57 PRO 0.020 0.020 1 0 "[ ]"
1 58 SER 0.000 0.000 . 0 "[ ]"
1 60 TYR 0.000 0.000 . 0 "[ ]"
1 61 VAL 0.097 0.097 1 0 "[ ]"
1 62 THR 0.002 0.002 1 0 "[ ]"
1 63 GLU 0.070 0.070 1 0 "[ ]"
1 64 ALA 0.046 0.046 1 0 "[ ]"
1 65 GLU 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 4 SER HA 1 5 THR H 5.000 . 5.000 3.503 3.503 3.503 . 0 0 "[ ]" 2
2 1 5 THR MG 1 6 SER H 5.000 . 5.400 4.104 4.104 4.104 . 0 0 "[ ]" 2
3 1 7 GLU H 1 7 GLU HB2 3.500 . 3.500 2.113 2.113 2.113 . 0 0 "[ ]" 2
4 1 7 GLU QG 1 8 LEU H 5.000 . 5.700 4.627 4.627 4.627 . 0 0 "[ ]" 2
5 1 8 LEU H 1 9 LYS H 5.000 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 2
6 1 8 LEU HA 1 9 LYS H 2.800 . 2.800 2.214 2.214 2.214 . 0 0 "[ ]" 2
7 1 9 LYS QB 1 9 LYS QE 3.500 . 4.900 3.533 3.533 3.533 . 0 0 "[ ]" 2
8 1 9 LYS H 1 35 ILE MG 5.000 . 5.400 4.085 4.085 4.085 . 0 0 "[ ]" 2
9 1 10 LYS HA 1 10 LYS QG 3.500 . 4.200 2.110 2.110 2.110 . 0 0 "[ ]" 2
10 1 10 LYS HA 1 11 VAL QG 5.000 . 6.500 2.952 2.952 2.952 . 0 0 "[ ]" 2
11 1 10 LYS HA 1 34 PHE HA 3.500 . 3.500 2.429 2.429 2.429 . 0 0 "[ ]" 2
12 1 10 LYS HA 1 34 PHE QD 5.000 . 7.000 4.456 4.456 4.456 . 0 0 "[ ]" 2
13 1 10 LYS QB 1 34 PHE QE 5.000 . 7.700 4.435 4.435 4.435 . 0 0 "[ ]" 2
14 1 11 VAL H 1 11 VAL QG 3.500 . 5.000 2.266 2.266 2.266 . 0 0 "[ ]" 2
15 1 11 VAL HA 1 11 VAL HB 2.800 . 2.800 2.536 2.536 2.536 . 0 0 "[ ]" 2
16 1 11 VAL HA 1 63 GLU HA 2.800 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 2
17 1 11 VAL QG 1 63 GLU QG 5.000 . 7.200 3.884 3.884 3.884 . 0 0 "[ ]" 2
18 1 11 VAL HA 1 64 ALA H 2.800 . 2.800 2.089 2.089 2.089 . 0 0 "[ ]" 2
19 1 11 VAL HA 1 64 ALA MB 5.000 . 5.400 3.080 3.080 3.080 . 0 0 "[ ]" 2
20 1 12 VAL H 1 12 VAL MG2 3.500 . 3.900 3.235 3.235 3.235 . 0 0 "[ ]" 2
21 1 12 VAL H 1 12 VAL MG1 3.500 . 3.900 3.314 3.314 3.314 . 0 0 "[ ]" 2
22 1 12 VAL HA 1 12 VAL HB 2.800 . 2.800 2.932 2.932 2.932 0.132 1 0 "[ ]" 2
23 1 12 VAL HA 1 12 VAL MG1 3.500 . 3.900 2.939 2.939 2.939 . 0 0 "[ ]" 2
24 1 12 VAL HA 1 12 VAL MG2 3.500 . 3.900 2.147 2.147 2.147 . 0 0 "[ ]" 2
25 1 12 VAL MG1 1 13 ALA H 3.500 . 3.900 1.902 1.902 1.902 . 0 0 "[ ]" 2
26 1 12 VAL MG2 1 13 ALA H 3.500 . 3.900 3.005 3.005 3.005 . 0 0 "[ ]" 2
27 1 12 VAL HA 1 32 GLU HB2 3.500 . 3.500 3.751 3.751 3.751 0.251 1 0 "[ ]" 2
28 1 12 VAL HA 1 33 TYR H 3.500 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 2
29 1 12 VAL HA 1 33 TYR QE 5.000 . 7.000 4.809 4.809 4.809 . 0 0 "[ ]" 2
30 1 12 VAL H 1 61 VAL HB 3.500 . 3.500 3.597 3.597 3.597 0.097 1 0 "[ ]" 2
31 1 12 VAL H 1 62 THR H 3.500 . 3.500 2.253 2.253 2.253 . 0 0 "[ ]" 2
32 1 12 VAL H 1 63 GLU HA 3.500 . 3.500 3.570 3.570 3.570 0.070 1 0 "[ ]" 2
33 1 14 LEU HA 1 14 LEU QD 3.500 . 5.000 2.107 2.107 2.107 . 0 0 "[ ]" 2
34 1 14 LEU HA 1 15 TYR H 3.500 . 3.500 3.565 3.565 3.565 0.065 1 0 "[ ]" 2
35 1 14 LEU HA 1 30 GLY H 5.000 . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 2
36 1 14 LEU HG 1 61 VAL HA 3.500 . 3.500 3.122 3.122 3.122 . 0 0 "[ ]" 2
37 1 14 LEU H 1 62 THR H 5.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 2
38 1 17 TYR HA 1 18 MET H 2.800 . 2.800 2.310 2.310 2.310 . 0 0 "[ ]" 2
39 1 17 TYR H 1 27 LEU H 5.000 . 5.000 3.858 3.858 3.858 . 0 0 "[ ]" 2
40 1 17 TYR QB 1 27 LEU H 3.500 . 4.200 3.399 3.399 3.399 . 0 0 "[ ]" 2
41 1 17 TYR QD 1 27 LEU H 5.000 . 7.000 3.619 3.619 3.619 . 0 0 "[ ]" 2
42 1 17 TYR QD 1 27 LEU HB2 5.000 . 7.000 2.339 2.339 2.339 . 0 0 "[ ]" 2
43 1 17 TYR QD 1 27 LEU QD 5.000 . 8.500 1.835 1.835 1.835 . 0 0 "[ ]" 2
44 1 18 MET HA 1 19 PRO QD 3.500 . 4.200 1.945 1.945 1.945 . 0 0 "[ ]" 2
45 1 20 MET H 1 20 MET HB2 3.500 . 3.500 2.482 2.482 2.482 . 0 0 "[ ]" 2
46 1 20 MET H 1 21 ASN H 3.500 . 3.500 2.128 2.128 2.128 . 0 0 "[ ]" 2
47 1 20 MET HB2 1 21 ASN H 3.500 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 2
48 1 20 MET H 1 24 ASP QB 5.000 . 5.700 1.979 1.979 1.979 . 0 0 "[ ]" 2
49 1 21 ASN H 1 21 ASN QD 5.000 . 5.700 4.107 4.107 4.107 . 0 0 "[ ]" 2
50 1 22 ALA MB 1 23 ASN QD 5.000 . 6.100 4.207 4.207 4.207 . 0 0 "[ ]" 2
51 1 23 ASN H 1 24 ASP H 3.500 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 2
52 1 23 ASN HA 1 24 ASP H 3.500 . 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 2
53 1 24 ASP HA 1 54 GLY QA 5.000 . 5.700 3.841 3.841 3.841 . 0 0 "[ ]" 2
54 1 25 LEU QB 1 27 LEU QD 3.500 . 5.700 1.911 1.911 1.911 . 0 0 "[ ]" 2
55 1 25 LEU QD 1 27 LEU QD 5.000 . 8.000 2.158 2.158 2.158 . 0 0 "[ ]" 2
56 1 25 LEU QD 1 47 ARG HA 5.000 . 5.000 2.048 2.048 2.048 . 0 0 "[ ]" 2
57 1 25 LEU QD 1 53 GLU HA 5.000 . 6.500 2.325 2.325 2.325 . 0 0 "[ ]" 2
58 1 25 LEU H 1 55 TYR H 3.500 . 3.500 1.973 1.973 1.973 . 0 0 "[ ]" 2
59 1 26 GLN H 1 26 GLN QB 3.500 . 4.200 2.189 2.189 2.189 . 0 0 "[ ]" 2
60 1 26 GLN QB 1 27 LEU H 5.000 . 5.700 4.051 4.051 4.051 . 0 0 "[ ]" 2
61 1 27 LEU HA 1 27 LEU QD 3.500 . 5.000 2.909 2.909 2.909 . 0 0 "[ ]" 2
62 1 27 LEU QD 1 56 ILE QG 5.000 . 7.200 1.817 1.817 1.817 . 0 0 "[ ]" 2
63 1 27 LEU QD 1 56 ILE MG 5.000 . 6.900 2.537 2.537 2.537 . 0 0 "[ ]" 2
64 1 27 LEU QD 1 56 ILE MD 5.000 . 6.900 2.406 2.406 2.406 . 0 0 "[ ]" 2
65 1 27 LEU QD 1 60 TYR HB3 5.000 . 6.500 2.826 2.826 2.826 . 0 0 "[ ]" 2
66 1 27 LEU QD 1 61 VAL QG 5.000 . 8.000 1.795 1.795 1.795 . 0 0 "[ ]" 2
67 1 29 LYS HA 1 29 LYS QG 3.500 . 4.200 2.402 2.402 2.402 . 0 0 "[ ]" 2
68 1 32 GLU H 1 32 GLU HB2 2.800 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 2
69 1 32 GLU HA 1 32 GLU QG 3.500 . 4.200 2.546 2.546 2.546 . 0 0 "[ ]" 2
70 1 33 TYR H 1 33 TYR QD 3.500 . 5.500 2.909 2.909 2.909 . 0 0 "[ ]" 2
71 1 34 PHE HA 1 34 PHE HB3 2.800 . 2.800 2.676 2.676 2.676 . 0 0 "[ ]" 2
72 1 34 PHE HA 1 35 ILE H 2.800 . 2.800 2.206 2.206 2.206 . 0 0 "[ ]" 2
73 1 34 PHE QD 1 35 ILE H 5.000 . 7.000 4.129 4.129 4.129 . 0 0 "[ ]" 2
74 1 34 PHE HA 1 46 ALA MB 5.000 . 5.400 4.276 4.276 4.276 . 0 0 "[ ]" 2
75 1 34 PHE H 1 47 ARG H 3.500 . 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 2
76 1 34 PHE QD 1 47 ARG QG 5.000 . 7.700 6.137 6.137 6.137 . 0 0 "[ ]" 2
77 1 35 ILE HB 1 35 ILE MD 3.500 . 3.900 3.200 3.200 3.200 . 0 0 "[ ]" 2
78 1 35 ILE MG 1 36 LEU H 5.000 . 5.400 2.688 2.688 2.688 . 0 0 "[ ]" 2
79 1 35 ILE MG 1 44 TRP HB3 5.000 . 5.400 3.117 3.117 3.117 . 0 0 "[ ]" 2
80 1 35 ILE MD 1 44 TRP HB3 5.000 . 5.400 3.460 3.460 3.460 . 0 0 "[ ]" 2
81 1 35 ILE MG 1 45 ARG H 5.000 . 5.400 3.970 3.970 3.970 . 0 0 "[ ]" 2
82 1 35 ILE HB 1 46 ALA MB 5.000 . 5.400 4.335 4.335 4.335 . 0 0 "[ ]" 2
83 1 35 ILE MD 1 46 ALA HA 5.000 . 5.400 3.632 3.632 3.632 . 0 0 "[ ]" 2
84 1 36 LEU H 1 45 ARG QB 5.000 . 5.700 4.129 4.129 4.129 . 0 0 "[ ]" 2
85 1 36 LEU QB 1 45 ARG H 5.000 . 5.700 4.447 4.447 4.447 . 0 0 "[ ]" 2
86 1 36 LEU QB 1 46 ALA HA 3.500 . 4.200 3.274 3.274 3.274 . 0 0 "[ ]" 2
87 1 36 LEU QD 1 47 ARG HE 5.000 . 6.500 3.495 3.495 3.495 . 0 0 "[ ]" 2
88 1 37 GLU H 1 45 ARG H 3.500 . 3.500 3.280 3.280 3.280 . 0 0 "[ ]" 2
89 1 38 GLU HA 1 38 GLU QG 3.500 . 4.200 3.325 3.325 3.325 . 0 0 "[ ]" 2
90 1 38 GLU HA 1 44 TRP HD1 3.500 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 2
91 1 39 SER HB2 1 44 TRP HD1 3.500 . 3.500 3.587 3.587 3.587 0.087 1 0 "[ ]" 2
92 1 41 LEU QD 1 42 PRO QG 5.000 . 7.200 4.298 4.298 4.298 . 0 0 "[ ]" 2
93 1 41 LEU QD 1 42 PRO QD 5.000 . 7.200 3.247 3.247 3.247 . 0 0 "[ ]" 2
94 1 42 PRO QG 1 43 TRP HD1 5.000 . 5.700 2.823 2.823 2.823 . 0 0 "[ ]" 2
95 1 43 TRP HA 1 43 TRP HB3 2.800 . 2.800 2.455 2.455 2.455 . 0 0 "[ ]" 2
96 1 43 TRP HA 1 43 TRP HE3 3.500 . 3.500 3.182 3.182 3.182 . 0 0 "[ ]" 2
97 1 43 TRP HB3 1 43 TRP HE3 2.800 . 2.800 2.683 2.683 2.683 . 0 0 "[ ]" 2
98 1 43 TRP HA 1 57 PRO HA 2.800 . 2.800 2.368 2.368 2.368 . 0 0 "[ ]" 2
99 1 43 TRP HD1 1 57 PRO HA 5.000 . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 2
100 1 43 TRP HE3 1 57 PRO HA 5.000 . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 2
101 1 43 TRP HE3 1 57 PRO QG 3.500 . 4.200 3.500 3.500 3.500 . 0 0 "[ ]" 2
102 1 44 TRP H 1 56 ILE H 3.500 . 3.500 2.155 2.155 2.155 . 0 0 "[ ]" 2
103 1 44 TRP H 1 56 ILE MD 5.000 . 5.400 4.272 4.272 4.272 . 0 0 "[ ]" 2
104 1 45 ARG HA 1 55 TYR HA 2.800 . 2.800 2.908 2.908 2.908 0.108 1 0 "[ ]" 2
105 1 47 ARG H 1 47 ARG HB2 3.500 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 2
106 1 47 ARG HA 1 47 ARG HB3 2.800 . 2.800 2.519 2.519 2.519 . 0 0 "[ ]" 2
107 1 47 ARG HA 1 47 ARG QG 3.500 . 4.200 2.357 2.357 2.357 . 0 0 "[ ]" 2
108 1 47 ARG HB3 1 48 ASP H 3.500 . 3.500 2.660 2.660 2.660 . 0 0 "[ ]" 2
109 1 47 ARG HA 1 53 GLU HA 2.800 . 2.800 2.070 2.070 2.070 . 0 0 "[ ]" 2
110 1 47 ARG HA 1 53 GLU QG 5.000 . 5.700 5.101 5.101 5.101 . 0 0 "[ ]" 2
111 1 47 ARG HE 1 53 GLU QG 5.000 . 5.700 3.451 3.451 3.451 . 0 0 "[ ]" 2
112 1 47 ARG HE 1 53 GLU QB 5.000 . 5.700 2.162 2.162 2.162 . 0 0 "[ ]" 2
113 1 47 ARG HA 1 54 GLY H 3.500 . 3.500 3.302 3.302 3.302 . 0 0 "[ ]" 2
114 1 48 ASP HA 1 48 ASP HB2 2.800 . 2.800 2.461 2.461 2.461 . 0 0 "[ ]" 2
115 1 48 ASP H 1 53 GLU HA 5.000 . 5.000 3.931 3.931 3.931 . 0 0 "[ ]" 2
116 1 50 ASN H 1 51 GLY H 2.800 . 2.800 2.185 2.185 2.185 . 0 0 "[ ]" 2
117 1 50 ASN H 1 52 GLN H 3.500 . 3.500 2.976 2.976 2.976 . 0 0 "[ ]" 2
118 1 51 GLY H 1 52 GLN H 2.800 . 2.800 2.676 2.676 2.676 . 0 0 "[ ]" 2
119 1 53 GLU HA 1 53 GLU QG 3.500 . 4.200 3.316 3.316 3.316 . 0 0 "[ ]" 2
120 1 55 TYR HB3 1 55 TYR QD 2.800 . 4.800 2.437 2.437 2.437 . 0 0 "[ ]" 2
121 1 55 TYR HB3 1 56 ILE H 3.500 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 2
122 1 56 ILE H 1 56 ILE HB 3.500 . 3.500 2.445 2.445 2.445 . 0 0 "[ ]" 2
123 1 60 TYR HB2 1 61 VAL QG 5.000 . 6.500 3.134 3.134 3.134 . 0 0 "[ ]" 2
124 1 61 VAL HA 1 61 VAL HB 2.800 . 2.800 2.493 2.493 2.493 . 0 0 "[ ]" 2
125 1 63 GLU H 1 64 ALA H 5.000 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 2
126 1 64 ALA H 1 65 GLU H 5.000 . 5.000 2.909 2.909 2.909 . 0 0 "[ ]" 2
127 1 65 GLU HA 1 66 ASP H 5.000 . 5.000 2.312 2.312 2.312 . 0 0 "[ ]" 2
128 1 5 THR HA 1 8 LEU QB 5.000 . 5.700 2.607 2.607 2.607 . 0 0 "[ ]" 2
129 1 5 THR HA 1 8 LEU QD 5.000 . 6.500 2.917 2.917 2.917 . 0 0 "[ ]" 2
130 1 7 GLU HA 1 7 GLU QG 3.500 . 4.200 2.393 2.393 2.393 . 0 0 "[ ]" 2
131 1 8 LEU QD 1 35 ILE H 5.000 . 6.500 4.293 4.293 4.293 . 0 0 "[ ]" 2
132 1 8 LEU QD 1 36 LEU HA 5.000 . 6.500 2.160 2.160 2.160 . 0 0 "[ ]" 2
133 1 9 LYS QG 1 10 LYS QE 5.000 . 6.400 4.569 4.569 4.569 . 0 0 "[ ]" 2
134 1 11 VAL QG 1 33 TYR HB2 5.000 . 6.500 2.344 2.344 2.344 . 0 0 "[ ]" 2
135 1 11 VAL QG 1 34 PHE HA 5.000 . 6.500 3.756 3.756 3.756 . 0 0 "[ ]" 2
136 1 11 VAL HA 1 61 VAL HB 5.000 . 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 2
137 1 11 VAL HA 1 61 VAL QG 5.000 . 6.500 4.694 4.694 4.694 . 0 0 "[ ]" 2
138 1 11 VAL QG 1 62 THR H 5.000 . 6.500 3.667 3.667 3.667 . 0 0 "[ ]" 2
139 1 11 VAL QG 1 63 GLU HA 5.000 . 6.500 2.901 2.901 2.901 . 0 0 "[ ]" 2
140 1 11 VAL H 1 64 ALA HA 3.500 . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 2
141 1 12 VAL MG1 1 30 GLY QA 5.000 . 6.100 3.494 3.494 3.494 . 0 0 "[ ]" 2
142 1 12 VAL MG2 1 30 GLY QA 5.000 . 6.100 4.162 4.162 4.162 . 0 0 "[ ]" 2
143 1 12 VAL HA 1 32 GLU HB3 3.500 . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 2
144 1 12 VAL MG1 1 32 GLU HA 5.000 . 5.400 4.188 4.188 4.188 . 0 0 "[ ]" 2
145 1 12 VAL MG2 1 32 GLU HA 5.000 . 5.400 3.496 3.496 3.496 . 0 0 "[ ]" 2
146 1 12 VAL MG1 1 32 GLU QG 3.500 . 4.600 3.221 3.221 3.221 . 0 0 "[ ]" 2
147 1 12 VAL MG2 1 32 GLU QG 3.500 . 4.600 1.677 1.677 1.677 . 0 0 "[ ]" 2
148 1 12 VAL HA 1 33 TYR QD 3.500 . 5.500 4.614 4.614 4.614 . 0 0 "[ ]" 2
149 1 13 ALA H 1 33 TYR QD 5.000 . 7.000 5.261 5.261 5.261 . 0 0 "[ ]" 2
150 1 13 ALA H 1 61 VAL QG 5.000 . 6.500 4.380 4.380 4.380 . 0 0 "[ ]" 2
151 1 13 ALA MB 1 61 VAL HA 5.000 . 5.400 4.002 4.002 4.002 . 0 0 "[ ]" 2
152 1 14 LEU QD 1 62 THR HB 3.500 . 5.000 2.837 2.837 2.837 . 0 0 "[ ]" 2
153 1 14 LEU QD 1 62 THR MG 3.500 . 5.400 2.763 2.763 2.763 . 0 0 "[ ]" 2
154 1 17 TYR HA 1 17 TYR QD 3.500 . 5.500 2.286 2.286 2.286 . 0 0 "[ ]" 2
155 1 17 TYR QB 1 27 LEU HB2 5.000 . 5.700 1.955 1.955 1.955 . 0 0 "[ ]" 2
156 1 17 TYR QB 1 27 LEU QD 5.000 . 7.200 2.912 2.912 2.912 . 0 0 "[ ]" 2
157 1 18 MET HA 1 19 PRO QG 3.500 . 4.200 3.887 3.887 3.887 . 0 0 "[ ]" 2
158 1 18 MET HA 1 26 GLN QG 5.000 . 5.700 2.481 2.481 2.481 . 0 0 "[ ]" 2
159 1 19 PRO QB 1 22 ALA HA 3.500 . 4.200 3.832 3.832 3.832 . 0 0 "[ ]" 2
160 1 19 PRO QG 1 22 ALA HA 5.000 . 5.700 5.114 5.114 5.114 . 0 0 "[ ]" 2
161 1 19 PRO HA 1 24 ASP QB 3.500 . 4.200 1.845 1.845 1.845 . 0 0 "[ ]" 2
162 1 19 PRO QB 1 24 ASP QB 3.500 . 4.900 2.734 2.734 2.734 . 0 0 "[ ]" 2
163 1 23 ASN HA 1 23 ASN HB2 2.800 . 2.800 2.956 2.956 2.956 0.156 1 0 "[ ]" 2
164 1 23 ASN HB3 1 24 ASP HA 3.500 . 3.500 3.764 3.764 3.764 0.264 1 0 "[ ]" 2
165 1 24 ASP HA 1 55 TYR QB 3.500 . 4.200 1.964 1.964 1.964 . 0 0 "[ ]" 2
166 1 25 LEU QD 1 46 ALA HA 5.000 . 6.500 4.332 4.332 4.332 . 0 0 "[ ]" 2
167 1 25 LEU QD 1 46 ALA MB 5.000 . 6.900 2.963 2.963 2.963 . 0 0 "[ ]" 2
168 1 25 LEU QD 1 47 ARG HB3 3.500 . 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 2
169 1 25 LEU QD 1 48 ASP HB2 3.500 . 5.000 3.414 3.414 3.414 . 0 0 "[ ]" 2
170 1 25 LEU QB 1 54 GLY QA 3.500 . 4.900 1.934 1.934 1.934 . 0 0 "[ ]" 2
171 1 25 LEU QD 1 54 GLY QA 5.000 . 7.200 1.955 1.955 1.955 . 0 0 "[ ]" 2
172 1 25 LEU QB 1 55 TYR HA 3.500 . 4.200 3.893 3.893 3.893 . 0 0 "[ ]" 2
173 1 25 LEU QD 1 55 TYR HA 5.000 . 6.500 4.564 4.564 4.564 . 0 0 "[ ]" 2
174 1 27 LEU QD 1 57 PRO QD 3.500 . 5.700 2.057 2.057 2.057 . 0 0 "[ ]" 2
175 1 31 ASP QB 1 33 TYR QE 3.500 . 6.200 3.208 3.208 3.208 . 0 0 "[ ]" 2
176 1 32 GLU HA 1 32 GLU HB3 2.800 . 2.800 2.395 2.395 2.395 . 0 0 "[ ]" 2
177 1 33 TYR QD 1 56 ILE MG 5.000 . 7.400 3.080 3.080 3.080 . 0 0 "[ ]" 2
178 1 33 TYR QD 1 61 VAL QG 5.000 . 8.500 2.192 2.192 2.192 . 0 0 "[ ]" 2
179 1 33 TYR QE 1 61 VAL QG 5.000 . 8.500 1.931 1.931 1.931 . 0 0 "[ ]" 2
180 1 34 PHE HB3 1 47 ARG H 3.500 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 2
181 1 35 ILE MG 1 37 GLU H 5.000 . 5.400 2.613 2.613 2.613 . 0 0 "[ ]" 2
182 1 35 ILE MG 1 46 ALA MB 5.000 . 5.800 3.191 3.191 3.191 . 0 0 "[ ]" 2
183 1 35 ILE HA 1 46 ALA MB 5.000 . 5.400 1.912 1.912 1.912 . 0 0 "[ ]" 2
184 1 36 LEU HA 1 37 GLU H 3.500 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 2
185 1 36 LEU QD 1 53 GLU QG 5.000 . 7.200 4.760 4.760 4.760 . 0 0 "[ ]" 2
186 1 41 LEU HB2 1 42 PRO QG 3.500 . 4.200 3.801 3.801 3.801 . 0 0 "[ ]" 2
187 1 41 LEU HB2 1 42 PRO QD 3.500 . 4.200 1.953 1.953 1.953 . 0 0 "[ ]" 2
188 1 44 TRP HB3 1 44 TRP HE3 3.500 . 3.500 3.340 3.340 3.340 . 0 0 "[ ]" 2
189 1 44 TRP HD1 1 45 ARG H 5.000 . 5.000 4.555 4.555 4.555 . 0 0 "[ ]" 2
190 1 44 TRP HE3 1 46 ALA MB 3.500 . 3.900 3.116 3.116 3.116 . 0 0 "[ ]" 2
191 1 44 TRP HB2 1 56 ILE MG 3.500 . 3.900 3.143 3.143 3.143 . 0 0 "[ ]" 2
192 1 45 ARG HA 1 45 ARG QG 3.500 . 4.200 2.132 2.132 2.132 . 0 0 "[ ]" 2
193 1 47 ARG HB3 1 47 ARG QD 3.500 . 4.200 2.881 2.881 2.881 . 0 0 "[ ]" 2
194 1 49 LYS HA 1 49 LYS QE 3.500 . 4.200 3.092 3.092 3.092 . 0 0 "[ ]" 2
195 1 56 ILE HA 1 56 ILE QG 3.500 . 4.200 2.109 2.109 2.109 . 0 0 "[ ]" 2
196 1 56 ILE MD 1 56 ILE MG 3.500 . 4.300 3.135 3.135 3.135 . 0 0 "[ ]" 2
197 1 56 ILE MG 1 58 SER HA 5.000 . 5.400 3.577 3.577 3.577 . 0 0 "[ ]" 2
198 1 56 ILE QG 1 61 VAL QG 5.000 . 7.200 2.819 2.819 2.819 . 0 0 "[ ]" 2
199 1 56 ILE MG 1 61 VAL QG 5.000 . 6.900 1.627 1.627 1.627 . 0 0 "[ ]" 2
200 1 58 SER HA 1 61 VAL QG 5.000 . 6.500 2.312 2.312 2.312 . 0 0 "[ ]" 2
201 1 61 VAL HA 1 62 THR MG 5.000 . 5.400 3.476 3.476 3.476 . 0 0 "[ ]" 2
202 1 65 GLU HA 1 65 GLU HB3 2.800 . 2.800 2.587 2.587 2.587 . 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 72
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.728
_Distance_constraint_stats_list.Viol_max 0.275
_Distance_constraint_stats_list.Viol_rms 0.0452
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.1455
_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 10 LYS 0.000 0.000 . 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 12 VAL 0.000 0.000 . 0 "[ ]"
1 13 ALA 0.000 0.000 . 0 "[ ]"
1 14 LEU 0.000 0.000 . 0 "[ ]"
1 15 TYR 0.000 0.000 . 0 "[ ]"
1 16 ASP 0.000 0.000 . 0 "[ ]"
1 17 TYR 0.000 0.000 . 0 "[ ]"
1 18 MET 0.036 0.036 1 0 "[ ]"
1 19 PRO 0.000 0.000 . 0 "[ ]"
1 20 MET 0.000 0.000 . 0 "[ ]"
1 23 ASN 0.066 0.066 1 0 "[ ]"
1 26 GLN 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.147 0.112 1 0 "[ ]"
1 28 ARG 0.000 0.000 . 0 "[ ]"
1 32 GLU 0.000 0.000 . 0 "[ ]"
1 33 TYR 0.000 0.000 . 0 "[ ]"
1 34 PHE 0.000 0.000 . 0 "[ ]"
1 35 ILE 0.000 0.000 . 0 "[ ]"
1 36 LEU 0.000 0.000 . 0 "[ ]"
1 38 GLU 0.275 0.275 1 0 "[ ]"
1 41 LEU 0.275 0.275 1 0 "[ ]"
1 42 PRO 0.000 0.000 . 0 "[ ]"
1 43 TRP 0.240 0.240 1 0 "[ ]"
1 44 TRP 0.000 0.000 . 0 "[ ]"
1 46 ALA 0.000 0.000 . 0 "[ ]"
1 47 ARG 0.000 0.000 . 0 "[ ]"
1 48 ASP 0.000 0.000 . 0 "[ ]"
1 49 LYS 0.000 0.000 . 0 "[ ]"
1 52 GLN 0.000 0.000 . 0 "[ ]"
1 53 GLU 0.000 0.000 . 0 "[ ]"
1 55 TYR 0.066 0.066 1 0 "[ ]"
1 56 ILE 0.112 0.112 1 0 "[ ]"
1 57 PRO 0.000 0.000 . 0 "[ ]"
1 60 TYR 0.000 0.000 . 0 "[ ]"
1 61 VAL 0.000 0.000 . 0 "[ ]"
1 62 THR 0.000 0.000 . 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 ALA 0.000 0.000 . 0 "[ ]"
1 65 GLU 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 12 VAL HA 1 32 GLU QG 3.500 . 4.200 2.152 2.152 2.152 . 0 0 "[ ]" 3
2 1 14 LEU HB2 1 15 TYR QD 3.500 . 5.500 3.048 3.048 3.048 . 0 0 "[ ]" 3
3 1 14 LEU QD 1 15 TYR QD 5.000 . 8.500 3.563 3.563 3.563 . 0 0 "[ ]" 3
4 1 15 TYR QD 1 60 TYR HA 5.000 . 7.000 3.269 3.269 3.269 . 0 0 "[ ]" 3
5 1 15 TYR QD 1 60 TYR HB3 5.000 . 7.000 5.113 5.113 5.113 . 0 0 "[ ]" 3
6 1 15 TYR QD 1 60 TYR QD 5.000 . 9.000 3.688 3.688 3.688 . 0 0 "[ ]" 3
7 1 15 TYR QD 1 60 TYR QE 5.000 . 9.000 3.699 3.699 3.699 . 0 0 "[ ]" 3
8 1 16 ASP HB3 1 17 TYR HA 5.000 . 5.000 4.138 4.138 4.138 . 0 0 "[ ]" 3
9 1 17 TYR QD 1 19 PRO HA 5.000 . 7.000 5.206 5.206 5.206 . 0 0 "[ ]" 3
10 1 17 TYR QD 1 26 GLN HA 5.000 . 7.000 5.221 5.221 5.221 . 0 0 "[ ]" 3
11 1 17 TYR QD 1 27 LEU HG 5.000 . 7.000 4.129 4.129 4.129 . 0 0 "[ ]" 3
12 1 17 TYR QB 1 60 TYR QD 5.000 . 7.700 3.278 3.278 3.278 . 0 0 "[ ]" 3
13 1 32 GLU HA 1 33 TYR QD 5.000 . 7.000 3.670 3.670 3.670 . 0 0 "[ ]" 3
14 1 32 GLU HA 1 33 TYR QE 5.000 . 7.000 3.932 3.932 3.932 . 0 0 "[ ]" 3
15 1 33 TYR HA 1 33 TYR QE 5.000 . 7.000 4.667 4.667 4.667 . 0 0 "[ ]" 3
16 1 33 TYR HB3 1 33 TYR QD 2.800 . 4.800 2.553 2.553 2.553 . 0 0 "[ ]" 3
17 1 33 TYR HA 1 48 ASP HA 3.500 . 3.500 2.572 2.572 2.572 . 0 0 "[ ]" 3
18 1 33 TYR QD 1 48 ASP HA 3.500 . 5.500 1.982 1.982 1.982 . 0 0 "[ ]" 3
19 1 33 TYR QD 1 48 ASP HB3 3.500 . 5.500 2.764 2.764 2.764 . 0 0 "[ ]" 3
20 1 33 TYR QE 1 48 ASP HA 3.500 . 5.500 4.169 4.169 4.169 . 0 0 "[ ]" 3
21 1 33 TYR QE 1 48 ASP HB3 3.500 . 5.500 3.690 3.690 3.690 . 0 0 "[ ]" 3
22 1 35 ILE HA 1 46 ALA HA 2.800 . 2.800 2.658 2.658 2.658 . 0 0 "[ ]" 3
23 1 43 TRP HA 1 43 TRP HD1 5.000 . 5.000 4.163 4.163 4.163 . 0 0 "[ ]" 3
24 1 43 TRP HB3 1 43 TRP HD1 3.500 . 3.500 3.740 3.740 3.740 0.240 1 0 "[ ]" 3
25 1 44 TRP HB3 1 44 TRP HD1 3.500 . 3.500 3.323 3.323 3.323 . 0 0 "[ ]" 3
26 1 10 LYS HB2 1 34 PHE QE 3.500 . 5.500 5.135 5.135 5.135 . 0 0 "[ ]" 3
27 1 10 LYS QG 1 34 PHE HA 5.000 . 5.700 1.975 1.975 1.975 . 0 0 "[ ]" 3
28 1 11 VAL HB 1 61 VAL HA 5.000 . 5.000 4.379 4.379 4.379 . 0 0 "[ ]" 3
29 1 11 VAL HA 1 63 GLU QG 5.000 . 5.700 4.320 4.320 4.320 . 0 0 "[ ]" 3
30 1 12 VAL HB 1 32 GLU HA 5.000 . 5.000 4.883 4.883 4.883 . 0 0 "[ ]" 3
31 1 12 VAL HA 1 64 ALA MB 5.000 . 5.400 4.459 4.459 4.459 . 0 0 "[ ]" 3
32 1 14 LEU QD 1 61 VAL HA 5.000 . 6.500 3.229 3.229 3.229 . 0 0 "[ ]" 3
33 1 17 TYR QE 1 19 PRO HA 3.500 . 5.500 4.264 4.264 4.264 . 0 0 "[ ]" 3
34 1 27 LEU HB2 1 56 ILE HA 5.000 . 5.000 5.112 5.112 5.112 0.112 1 0 "[ ]" 3
35 1 27 LEU QD 1 56 ILE HA 5.000 . 6.500 2.099 2.099 2.099 . 0 0 "[ ]" 3
36 1 18 MET HA 1 26 GLN HA 5.000 . 5.000 2.251 2.251 2.251 . 0 0 "[ ]" 3
37 1 18 MET HA 1 26 GLN QB 5.000 . 5.700 3.784 3.784 3.784 . 0 0 "[ ]" 3
38 1 18 MET HA 1 27 LEU HB2 5.000 . 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 3
39 1 20 MET HA 1 20 MET QG 3.500 . 4.200 2.313 2.313 2.313 . 0 0 "[ ]" 3
40 1 23 ASN HB3 1 55 TYR HA 5.000 . 5.700 5.766 5.766 5.766 0.066 1 0 "[ ]" 3
41 1 28 ARG HA 1 28 ARG QG 3.500 . 4.200 2.186 2.186 2.186 . 0 0 "[ ]" 3
42 1 33 TYR HB3 1 48 ASP HA 5.000 . 5.000 2.828 2.828 2.828 . 0 0 "[ ]" 3
43 1 17 TYR QE 1 56 ILE MD 5.000 . 7.400 4.313 4.313 4.313 . 0 0 "[ ]" 3
44 1 34 PHE HA 1 34 PHE QD 3.500 . 5.500 2.995 2.995 2.995 . 0 0 "[ ]" 3
45 1 35 ILE HA 1 35 ILE MG 3.500 . 3.900 2.316 2.316 2.316 . 0 0 "[ ]" 3
46 1 35 ILE HA 1 35 ILE MD 3.500 . 3.900 2.062 2.062 2.062 . 0 0 "[ ]" 3
47 1 35 ILE MG 1 46 ALA HA 5.000 . 5.400 4.189 4.189 4.189 . 0 0 "[ ]" 3
48 1 36 LEU HA 1 36 LEU QD 3.500 . 5.000 2.949 2.949 2.949 . 0 0 "[ ]" 3
49 1 38 GLU HA 1 44 TRP HA 5.000 . 5.000 4.682 4.682 4.682 . 0 0 "[ ]" 3
50 1 44 TRP HZ3 1 46 ALA MB 5.000 . 5.400 4.637 4.637 4.637 . 0 0 "[ ]" 3
51 1 44 TRP HE3 1 56 ILE MG 5.000 . 5.400 2.165 2.165 2.165 . 0 0 "[ ]" 3
52 1 44 TRP HE3 1 61 VAL QG 5.000 . 6.500 3.119 3.119 3.119 . 0 0 "[ ]" 3
53 1 47 ARG HB2 1 53 GLU HA 5.000 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 3
54 1 48 ASP HA 1 49 LYS HA 5.000 . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 3
55 1 52 GLN HA 1 52 GLN QG 3.500 . 4.200 2.027 2.027 2.027 . 0 0 "[ ]" 3
56 1 56 ILE HA 1 57 PRO QD 3.500 . 4.200 1.991 1.991 1.991 . 0 0 "[ ]" 3
57 1 56 ILE MG 1 61 VAL HA 5.000 . 5.400 4.525 4.525 4.525 . 0 0 "[ ]" 3
58 1 62 THR HA 1 62 THR HB 2.800 . 2.800 2.475 2.475 2.475 . 0 0 "[ ]" 3
59 1 65 GLU HA 1 65 GLU QG 3.500 . 4.200 2.141 2.141 2.141 . 0 0 "[ ]" 3
60 1 13 ALA MB 1 33 TYR QD 5.000 . 7.400 3.685 3.685 3.685 . 0 0 "[ ]" 3
61 1 13 ALA MB 1 33 TYR QE 3.500 . 5.900 2.047 2.047 2.047 . 0 0 "[ ]" 3
62 1 27 LEU QD 1 33 TYR QD 5.000 . 8.500 2.935 2.935 2.935 . 0 0 "[ ]" 3
63 1 27 LEU QD 1 33 TYR QE 5.000 . 8.500 1.975 1.975 1.975 . 0 0 "[ ]" 3
64 1 33 TYR QD 1 46 ALA MB 5.000 . 7.400 4.063 4.063 4.063 . 0 0 "[ ]" 3
65 1 33 TYR QE 1 46 ALA MB 5.000 . 7.400 5.555 5.555 5.555 . 0 0 "[ ]" 3
66 1 33 TYR QD 1 48 ASP H 5.000 . 7.000 4.441 4.441 4.441 . 0 0 "[ ]" 3
67 1 33 TYR QE 1 49 LYS H 5.000 . 7.000 4.852 4.852 4.852 . 0 0 "[ ]" 3
68 1 38 GLU H 1 41 LEU H 6.000 . 6.000 6.275 6.275 6.275 0.275 1 0 "[ ]" 3
69 1 41 LEU HA 1 42 PRO QD 5.000 . 5.700 2.038 2.038 2.038 . 0 0 "[ ]" 3
70 1 42 PRO HA 1 43 TRP HD1 6.000 . 6.000 5.281 5.281 5.281 . 0 0 "[ ]" 3
71 1 43 TRP HZ3 1 56 ILE HA 5.000 . 5.700 4.914 4.914 4.914 . 0 0 "[ ]" 3
72 1 44 TRP H 1 56 ILE MG 5.000 . 5.400 3.738 3.738 3.738 . 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 22
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.140
_Distance_constraint_stats_list.Viol_max 0.037
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0233
_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 VAL 0.053 0.037 1 0 "[ ]"
1 12 VAL 0.000 0.000 . 0 "[ ]"
1 13 ALA 0.033 0.033 1 0 "[ ]"
1 14 LEU 0.000 0.000 . 0 "[ ]"
1 31 ASP 0.033 0.033 1 0 "[ ]"
1 33 TYR 0.053 0.037 1 0 "[ ]"
1 34 PHE 0.031 0.031 1 0 "[ ]"
1 42 PRO 0.016 0.016 1 0 "[ ]"
1 44 TRP 0.006 0.006 1 0 "[ ]"
1 46 ALA 0.000 0.000 . 0 "[ ]"
1 47 ARG 0.031 0.031 1 0 "[ ]"
1 48 ASP 0.000 0.000 . 0 "[ ]"
1 52 GLN 0.000 0.000 . 0 "[ ]"
1 54 GLY 0.000 0.000 . 0 "[ ]"
1 56 ILE 0.006 0.006 1 0 "[ ]"
1 58 SER 0.016 0.016 1 0 "[ ]"
1 60 TYR 0.000 0.000 . 0 "[ ]"
1 62 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 11 VAL O 1 33 TYR H 2.000 . 2.400 1.763 1.763 1.763 0.037 1 0 "[ ]" 4
2 1 11 VAL O 1 33 TYR N 2.800 2.600 3.200 2.660 2.660 2.660 . 0 0 "[ ]" 4
3 1 11 VAL H 1 33 TYR O 2.000 . 2.400 2.279 2.279 2.279 . 0 0 "[ ]" 4
4 1 11 VAL N 1 33 TYR O 2.800 2.600 3.200 3.216 3.216 3.216 0.016 1 0 "[ ]" 4
5 1 13 ALA H 1 31 ASP O 2.000 . 2.400 2.049 2.049 2.049 . 0 0 "[ ]" 4
6 1 13 ALA N 1 31 ASP O 2.800 2.600 3.200 2.567 2.567 2.567 0.033 1 0 "[ ]" 4
7 1 12 VAL O 1 62 THR H 2.000 . 2.400 2.215 2.215 2.215 . 0 0 "[ ]" 4
8 1 12 VAL O 1 62 THR N 2.800 2.600 3.200 3.071 3.071 3.071 . 0 0 "[ ]" 4
9 1 14 LEU H 1 60 TYR O 2.000 . 2.400 1.841 1.841 1.841 . 0 0 "[ ]" 4
10 1 14 LEU N 1 60 TYR O 2.800 2.600 3.200 2.681 2.681 2.681 . 0 0 "[ ]" 4
11 1 34 PHE H 1 47 ARG O 2.000 . 2.400 1.769 1.769 1.769 0.031 1 0 "[ ]" 4
12 1 34 PHE N 1 47 ARG O 2.800 2.600 3.200 2.702 2.702 2.702 . 0 0 "[ ]" 4
13 1 34 PHE O 1 47 ARG H 2.000 . 2.400 1.931 1.931 1.931 . 0 0 "[ ]" 4
14 1 34 PHE O 1 47 ARG N 2.800 2.600 3.200 2.783 2.783 2.783 . 0 0 "[ ]" 4
15 1 48 ASP H 1 52 GLN O 2.000 . 2.400 2.335 2.335 2.335 . 0 0 "[ ]" 4
16 1 48 ASP N 1 52 GLN O 2.800 2.600 3.200 3.178 3.178 3.178 . 0 0 "[ ]" 4
17 1 46 ALA O 1 54 GLY H 2.000 . 2.400 2.176 2.176 2.176 . 0 0 "[ ]" 4
18 1 46 ALA O 1 54 GLY N 2.800 2.600 3.200 3.074 3.074 3.074 . 0 0 "[ ]" 4
19 1 44 TRP H 1 56 ILE O 2.000 . 2.400 2.313 2.313 2.313 . 0 0 "[ ]" 4
20 1 44 TRP N 1 56 ILE O 2.800 2.600 3.200 3.206 3.206 3.206 0.006 1 0 "[ ]" 4
21 1 42 PRO O 1 58 SER H 2.000 . 2.400 1.784 1.784 1.784 0.016 1 0 "[ ]" 4
22 1 42 PRO O 1 58 SER N 2.800 2.600 3.200 2.603 2.603 2.603 . 0 0 "[ ]" 4
stop_
save_
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