NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
481661 |
1f7m   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f7m
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 134
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
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 SER 0.000 0.000 . 0 "[ ]"
1 2 ASP 0.000 0.000 . 0 "[ ]"
1 5 GLN 0.000 0.000 . 0 "[ ]"
1 6 CYS 0.000 0.000 . 0 "[ ]"
1 9 SER 0.000 0.000 . 0 "[ ]"
1 10 PRO 0.000 0.000 . 0 "[ ]"
1 11 CYS 0.000 0.000 . 0 "[ ]"
1 12 GLN 0.000 0.000 . 0 "[ ]"
1 13 ASN 0.000 0.000 . 0 "[ ]"
1 16 SER 0.000 0.000 . 0 "[ ]"
1 17 CYS 0.000 0.000 . 0 "[ ]"
1 18 LYS 0.000 0.000 . 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 20 GLN 0.000 0.000 . 0 "[ ]"
1 21 LEU 0.000 0.000 . 0 "[ ]"
1 22 GLN 0.000 0.000 . 0 "[ ]"
1 23 SER 0.000 0.000 . 0 "[ ]"
1 24 TYR 0.000 0.000 . 0 "[ ]"
1 25 ILE 0.000 0.000 . 0 "[ ]"
1 26 CYS 0.000 0.000 . 0 "[ ]"
1 27 PHE 0.000 0.000 . 0 "[ ]"
1 28 CYS 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 31 ALA 0.000 0.000 . 0 "[ ]"
1 32 PHE 0.000 0.000 . 0 "[ ]"
1 33 GLU 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 ARG 0.000 0.000 . 0 "[ ]"
1 36 ASN 0.000 0.000 . 0 "[ ]"
1 38 GLU 0.000 0.000 . 0 "[ ]"
1 39 THR 0.000 0.000 . 0 "[ ]"
1 40 HIS 0.000 0.000 . 0 "[ ]"
1 41 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 1 SER HA 1 1 SER QB 2.700 . 2.700 2.360 2.360 2.360 . 0 0 "[ ]" 1
2 1 2 ASP HA 1 2 ASP QB 2.700 . 2.700 2.398 2.398 2.398 . 0 0 "[ ]" 1
3 1 2 ASP QB 1 21 LEU MD1 6.000 . 6.500 4.823 4.823 4.823 . 0 0 "[ ]" 1
4 1 2 ASP QB 1 21 LEU MD2 6.000 . 6.500 3.133 3.133 3.133 . 0 0 "[ ]" 1
5 1 5 GLN HA 1 5 GLN QB 2.700 . 2.700 2.440 2.440 2.440 . 0 0 "[ ]" 1
6 1 5 GLN HA 1 24 TYR QD 5.000 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
7 1 5 GLN QB 1 6 CYS H 5.000 . 5.000 2.168 2.168 2.168 . 0 0 "[ ]" 1
8 1 5 GLN QB 1 23 SER HA 5.000 . 5.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
9 1 5 GLN QB 1 24 TYR HB3 5.000 . 5.000 2.135 2.135 2.135 . 0 0 "[ ]" 1
10 1 5 GLN QB 1 24 TYR HB2 5.000 . 5.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
11 1 5 GLN QB 1 24 TYR QD 5.000 . 5.000 2.110 2.110 2.110 . 0 0 "[ ]" 1
12 1 5 GLN QB 1 24 TYR QE 6.000 . 6.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
13 1 5 GLN QG 1 23 SER HA 5.000 . 5.000 2.179 2.179 2.179 . 0 0 "[ ]" 1
14 1 5 GLN QG 1 23 SER H 5.000 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
15 1 5 GLN QG 1 24 TYR QB 5.000 . 6.000 3.528 3.528 3.528 . 0 0 "[ ]" 1
16 1 5 GLN QG 1 24 TYR QD 5.000 . 5.000 2.454 2.454 2.454 . 0 0 "[ ]" 1
17 1 5 GLN QG 1 24 TYR QE 6.000 . 6.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
18 1 5 GLN H 1 5 GLN QB 3.300 . 3.300 2.187 2.187 2.187 . 0 0 "[ ]" 1
19 1 5 GLN H 1 5 GLN QG 5.000 . 5.000 3.364 3.364 3.364 . 0 0 "[ ]" 1
20 1 9 SER HA 1 9 SER QB 2.700 . 2.700 2.415 2.415 2.415 . 0 0 "[ ]" 1
21 1 9 SER QB 1 10 PRO HD3 5.000 . 5.000 4.429 4.429 4.429 . 0 0 "[ ]" 1
22 1 9 SER QB 1 10 PRO HD2 5.000 . 5.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
23 1 9 SER QB 1 11 CYS H 5.000 . 5.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
24 1 10 PRO QB 1 24 TYR QD 5.000 . 6.000 4.765 4.765 4.765 . 0 0 "[ ]" 1
25 1 10 PRO QB 1 24 TYR QE 5.000 . 6.000 3.676 3.676 3.676 . 0 0 "[ ]" 1
26 1 10 PRO HG3 1 24 TYR QD 6.000 . 6.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
27 1 10 PRO HG2 1 24 TYR QD 6.000 . 6.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
28 1 10 PRO HG3 1 24 TYR QE 6.000 . 6.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
29 1 10 PRO HG2 1 24 TYR QE 6.000 . 6.000 3.247 3.247 3.247 . 0 0 "[ ]" 1
30 1 12 GLN QB 1 13 ASN HD21 6.000 . 6.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
31 1 12 GLN QB 1 13 ASN HD22 6.000 . 6.000 4.294 4.294 4.294 . 0 0 "[ ]" 1
32 1 12 GLN QB 1 38 GLU HA 5.000 . 5.000 3.319 3.319 3.319 . 0 0 "[ ]" 1
33 1 13 ASN HB3 1 32 PHE QD 6.000 . 6.000 2.969 2.969 2.969 . 0 0 "[ ]" 1
34 1 13 ASN HB3 1 32 PHE QE 6.000 . 6.000 2.801 2.801 2.801 . 0 0 "[ ]" 1
35 1 13 ASN HB2 1 32 PHE QD 6.000 . 6.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
36 1 13 ASN HB2 1 32 PHE QE 5.000 . 5.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
37 1 13 ASN HD21 1 32 PHE QD 5.000 . 5.000 3.174 3.174 3.174 . 0 0 "[ ]" 1
38 1 13 ASN HD21 1 32 PHE QE 5.000 . 5.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
39 1 13 ASN HD22 1 32 PHE QD 5.000 . 5.000 2.883 2.883 2.883 . 0 0 "[ ]" 1
40 1 16 SER QB 1 17 CYS H 5.000 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
41 1 16 SER QB 1 27 PHE HB3 5.000 . 5.000 2.986 2.986 2.986 . 0 0 "[ ]" 1
42 1 16 SER QB 1 27 PHE HB2 5.000 . 5.000 1.903 1.903 1.903 . 0 0 "[ ]" 1
43 1 16 SER QB 1 27 PHE QD 5.000 . 5.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
44 1 16 SER QB 1 27 PHE H 5.000 . 5.000 3.147 3.147 3.147 . 0 0 "[ ]" 1
45 1 18 LYS HB3 1 27 PHE QD 6.000 . 6.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
46 1 18 LYS HB2 1 27 PHE QD 6.000 . 6.000 3.183 3.183 3.183 . 0 0 "[ ]" 1
47 1 18 LYS HB3 1 27 PHE QE 6.000 . 6.000 3.070 3.070 3.070 . 0 0 "[ ]" 1
48 1 18 LYS HB2 1 27 PHE QE 6.000 . 6.000 2.078 2.078 2.078 . 0 0 "[ ]" 1
49 1 18 LYS QD 1 19 ASP H 5.000 . 5.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
50 1 18 LYS QD 1 27 PHE QE 6.000 . 6.000 2.127 2.127 2.127 . 0 0 "[ ]" 1
51 1 18 LYS QD 1 27 PHE HZ 6.000 . 6.000 3.021 3.021 3.021 . 0 0 "[ ]" 1
52 1 18 LYS QG 1 27 PHE QE 6.000 . 6.000 2.503 2.503 2.503 . 0 0 "[ ]" 1
53 1 18 LYS QG 1 27 PHE HZ 6.000 . 6.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
54 1 18 LYS H 1 24 TYR QD 6.000 . 6.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
55 1 20 GLN HA 1 20 GLN QG 3.300 . 3.300 2.547 2.547 2.547 . 0 0 "[ ]" 1
56 1 20 GLN HB2 1 20 GLN QG 2.700 . 2.700 2.195 2.195 2.195 . 0 0 "[ ]" 1
57 1 20 GLN QG 1 24 TYR HA 5.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
58 1 20 GLN QG 1 25 ILE HB 5.000 . 5.000 2.305 2.305 2.305 . 0 0 "[ ]" 1
59 1 20 GLN QG 1 25 ILE MD 5.000 . 5.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
60 1 20 GLN QG 1 25 ILE HG13 5.000 . 5.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
61 1 20 GLN QG 1 25 ILE HG12 5.000 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
62 1 20 GLN QG 1 25 ILE MG 5.000 . 5.500 1.819 1.819 1.819 . 0 0 "[ ]" 1
63 1 20 GLN QG 1 25 ILE H 5.000 . 5.000 3.685 3.685 3.685 . 0 0 "[ ]" 1
64 1 20 GLN H 1 20 GLN QG 5.000 . 5.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
65 1 22 GLN HA 1 22 GLN QG 3.300 . 3.300 2.155 2.155 2.155 . 0 0 "[ ]" 1
66 1 23 SER HA 1 23 SER QB 2.700 . 2.700 2.201 2.201 2.201 . 0 0 "[ ]" 1
67 1 23 SER HA 1 24 TYR QD 5.000 . 5.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
68 1 23 SER HA 1 24 TYR QE 6.000 . 6.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
69 1 24 TYR QD 1 25 ILE HA 5.000 . 5.000 3.782 3.782 3.782 . 0 0 "[ ]" 1
70 1 24 TYR QD 1 25 ILE H 5.000 . 5.000 3.142 3.142 3.142 . 0 0 "[ ]" 1
71 1 24 TYR QD 1 26 CYS HA 6.000 . 6.000 4.153 4.153 4.153 . 0 0 "[ ]" 1
72 1 24 TYR QD 1 26 CYS H 5.000 . 5.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
73 1 24 TYR QD 1 35 ARG QG 6.000 . 6.000 4.765 4.765 4.765 . 0 0 "[ ]" 1
74 1 24 TYR QD 1 36 ASN HA 6.000 . 6.000 5.348 5.348 5.348 . 0 0 "[ ]" 1
75 1 24 TYR QE 1 25 ILE HA 6.000 . 6.000 4.943 4.943 4.943 . 0 0 "[ ]" 1
76 1 24 TYR QE 1 25 ILE H 6.000 . 6.000 5.310 5.310 5.310 . 0 0 "[ ]" 1
77 1 24 TYR QE 1 26 CYS H 5.000 . 5.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
78 1 24 TYR QE 1 35 ARG QG 6.000 . 6.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
79 1 24 TYR QE 1 36 ASN HA 6.000 . 6.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
80 1 24 TYR H 1 24 TYR QD 5.000 . 5.000 2.307 2.307 2.307 . 0 0 "[ ]" 1
81 1 24 TYR H 1 24 TYR QE 6.000 . 6.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
82 1 25 ILE MD 1 27 PHE QD 6.000 . 6.500 4.524 4.524 4.524 . 0 0 "[ ]" 1
83 1 25 ILE MD 1 27 PHE QE 6.000 . 6.500 3.329 3.329 3.329 . 0 0 "[ ]" 1
84 1 25 ILE MG 1 27 PHE QD 6.000 . 6.500 3.475 3.475 3.475 . 0 0 "[ ]" 1
85 1 25 ILE MG 1 27 PHE QE 6.000 . 6.500 2.171 2.171 2.171 . 0 0 "[ ]" 1
86 1 27 PHE HB2 1 27 PHE QE 5.000 . 5.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
87 1 27 PHE H 1 27 PHE QD 5.000 . 5.000 2.698 2.698 2.698 . 0 0 "[ ]" 1
88 1 28 CYS HB3 1 32 PHE QD 5.000 . 5.000 1.983 1.983 1.983 . 0 0 "[ ]" 1
89 1 29 LEU QB 1 31 ALA H 5.000 . 5.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
90 1 29 LEU QB 1 32 PHE QD 5.000 . 5.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
91 1 29 LEU QB 1 32 PHE QE 6.000 . 6.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
92 1 29 LEU QB 1 32 PHE HZ 6.000 . 6.000 3.915 3.915 3.915 . 0 0 "[ ]" 1
93 1 29 LEU MD2 1 32 PHE QD 6.000 . 6.500 3.959 3.959 3.959 . 0 0 "[ ]" 1
94 1 29 LEU MD1 1 32 PHE QD 6.000 . 6.500 3.066 3.066 3.066 . 0 0 "[ ]" 1
95 1 29 LEU QD 1 32 PHE QE 6.000 . 8.500 1.933 1.933 1.933 . 0 0 "[ ]" 1
96 1 29 LEU HG 1 32 PHE QD 6.000 . 6.000 5.012 5.012 5.012 . 0 0 "[ ]" 1
97 1 29 LEU HG 1 32 PHE QE 6.000 . 6.000 4.405 4.405 4.405 . 0 0 "[ ]" 1
98 1 29 LEU H 1 32 PHE QD 5.000 . 5.000 1.950 1.950 1.950 . 0 0 "[ ]" 1
99 1 31 ALA MB 1 32 PHE QD 6.000 . 6.500 3.953 3.953 3.953 . 0 0 "[ ]" 1
100 1 31 ALA MB 1 32 PHE QE 6.000 . 6.500 4.089 4.089 4.089 . 0 0 "[ ]" 1
101 1 31 ALA H 1 32 PHE QD 5.000 . 5.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
102 1 31 ALA H 1 32 PHE QE 6.000 . 6.000 5.171 5.171 5.171 . 0 0 "[ ]" 1
103 1 32 PHE HA 1 33 GLU QB 5.000 . 5.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
104 1 32 PHE HB2 1 32 PHE QD 3.300 . 3.300 2.303 2.303 2.303 . 0 0 "[ ]" 1
105 1 32 PHE QD 1 33 GLU H 5.000 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
106 1 32 PHE QD 1 39 THR H 5.000 . 5.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
107 1 32 PHE QD 1 40 HIS HA 5.000 . 5.000 1.999 1.999 1.999 . 0 0 "[ ]" 1
108 1 32 PHE QD 1 40 HIS QB 6.000 . 6.000 2.865 2.865 2.865 . 0 0 "[ ]" 1
109 1 32 PHE QD 1 40 HIS HE1 6.000 . 6.000 4.989 4.989 4.989 . 0 0 "[ ]" 1
110 1 32 PHE QD 1 41 LYS H 5.000 . 5.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
111 1 32 PHE QE 1 40 HIS HA 5.000 . 5.000 3.769 3.769 3.769 . 0 0 "[ ]" 1
112 1 32 PHE QE 1 40 HIS QB 6.000 . 6.000 3.048 3.048 3.048 . 0 0 "[ ]" 1
113 1 32 PHE QE 1 40 HIS HE1 5.000 . 5.000 3.288 3.288 3.288 . 0 0 "[ ]" 1
114 1 32 PHE H 1 32 PHE QD 5.000 . 5.000 3.449 3.449 3.449 . 0 0 "[ ]" 1
115 1 32 PHE H 1 32 PHE QE 6.000 . 6.000 4.991 4.991 4.991 . 0 0 "[ ]" 1
116 1 32 PHE HZ 1 40 HIS QB 6.000 . 6.000 5.365 5.365 5.365 . 0 0 "[ ]" 1
117 1 33 GLU HA 1 33 GLU QG 3.300 . 3.300 2.129 2.129 2.129 . 0 0 "[ ]" 1
118 1 33 GLU QB 1 34 GLY H 3.300 . 3.300 2.951 2.951 2.951 . 0 0 "[ ]" 1
119 1 33 GLU QB 1 39 THR HB 5.000 . 5.000 1.960 1.960 1.960 . 0 0 "[ ]" 1
120 1 33 GLU QB 1 39 THR MG 6.000 . 6.500 2.324 2.324 2.324 . 0 0 "[ ]" 1
121 1 33 GLU QB 1 41 LYS HA 5.000 . 5.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
122 1 33 GLU QB 1 41 LYS HB3 6.000 . 6.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
123 1 33 GLU QB 1 41 LYS HB2 5.000 . 5.000 3.093 3.093 3.093 . 0 0 "[ ]" 1
124 1 33 GLU QB 1 41 LYS QE 5.000 . 5.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
125 1 33 GLU QB 1 41 LYS QG 5.000 . 6.000 2.009 2.009 2.009 . 0 0 "[ ]" 1
126 1 33 GLU QG 1 34 GLY H 3.300 . 3.300 2.308 2.308 2.308 . 0 0 "[ ]" 1
127 1 33 GLU QG 1 39 THR MG 6.000 . 6.500 4.057 4.057 4.057 . 0 0 "[ ]" 1
128 1 33 GLU H 1 33 GLU QB 3.300 . 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 1
129 1 35 ARG QG 1 36 ASN HD21 6.000 . 6.000 4.042 4.042 4.042 . 0 0 "[ ]" 1
130 1 35 ARG QG 1 36 ASN HD22 6.000 . 6.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
131 1 39 THR HA 1 40 HIS QB 5.000 . 5.000 3.938 3.938 3.938 . 0 0 "[ ]" 1
132 1 39 THR MG 1 40 HIS QB 6.000 . 6.500 3.995 3.995 3.995 . 0 0 "[ ]" 1
133 1 41 LYS HB2 1 41 LYS QE 5.000 . 5.000 3.220 3.220 3.220 . 0 0 "[ ]" 1
134 1 41 LYS H 1 41 LYS QD 6.000 . 6.000 4.189 4.189 4.189 . 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 285
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 0.278
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0186
_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 SER 0.000 0.000 . 0 "[ ]"
1 4 ASP 0.025 0.021 1 0 "[ ]"
1 5 GLN 0.000 0.000 . 0 "[ ]"
1 6 CYS 0.009 0.008 1 0 "[ ]"
1 7 ALA 0.005 0.004 1 0 "[ ]"
1 8 SER 0.000 0.000 . 0 "[ ]"
1 9 SER 0.000 0.000 . 0 "[ ]"
1 10 PRO 0.000 0.000 . 0 "[ ]"
1 11 CYS 0.000 0.000 . 0 "[ ]"
1 12 GLN 0.000 0.000 . 0 "[ ]"
1 13 ASN 0.000 0.000 . 0 "[ ]"
1 14 GLY 0.014 0.014 1 0 "[ ]"
1 15 GLY 0.014 0.014 1 0 "[ ]"
1 16 SER 0.000 0.000 . 0 "[ ]"
1 17 CYS 0.007 0.004 1 0 "[ ]"
1 18 LYS 0.000 0.000 . 0 "[ ]"
1 19 ASP 0.008 0.008 1 0 "[ ]"
1 20 GLN 0.019 0.019 1 0 "[ ]"
1 21 LEU 0.000 0.000 . 0 "[ ]"
1 22 GLN 0.000 0.000 . 0 "[ ]"
1 23 SER 0.019 0.019 1 0 "[ ]"
1 24 TYR 0.000 0.000 . 0 "[ ]"
1 25 ILE 0.000 0.000 . 0 "[ ]"
1 26 CYS 0.014 0.012 1 0 "[ ]"
1 27 PHE 0.012 0.012 1 0 "[ ]"
1 28 CYS 0.033 0.033 1 0 "[ ]"
1 29 LEU 0.099 0.099 1 0 "[ ]"
1 30 PRO 0.000 0.000 . 0 "[ ]"
1 31 ALA 0.034 0.034 1 0 "[ ]"
1 32 PHE 0.167 0.099 1 0 "[ ]"
1 33 GLU 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 ARG 0.000 0.000 . 0 "[ ]"
1 36 ASN 0.007 0.004 1 0 "[ ]"
1 37 CYS 0.003 0.003 1 0 "[ ]"
1 38 GLU 0.004 0.004 1 0 "[ ]"
1 39 THR 0.018 0.018 1 0 "[ ]"
1 40 HIS 0.000 0.000 . 0 "[ ]"
1 41 LYS 0.000 0.000 . 0 "[ ]"
1 42 ASP 0.000 0.000 . 0 "[ ]"
1 43 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 1 SER HA 1 1 SER HG 2.700 . 3.700 2.370 2.370 2.370 . 0 0 "[ ]" 2
2 1 4 ASP HA 1 7 ALA MB 6.000 . 6.500 3.124 3.124 3.124 . 0 0 "[ ]" 2
3 1 4 ASP HB2 1 5 GLN H 5.000 . 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 2
4 1 4 ASP HB3 1 5 GLN H 5.000 . 5.000 4.265 4.265 4.265 . 0 0 "[ ]" 2
5 1 4 ASP HB2 1 7 ALA MB 5.000 . 5.500 4.066 4.066 4.066 . 0 0 "[ ]" 2
6 1 4 ASP HB3 1 7 ALA MB 5.000 . 5.500 2.749 2.749 2.749 . 0 0 "[ ]" 2
7 1 4 ASP HB3 1 7 ALA H 6.000 . 6.000 4.434 4.434 4.434 . 0 0 "[ ]" 2
8 1 4 ASP HB2 1 7 ALA H 6.000 . 6.000 6.004 6.004 6.004 0.004 1 0 "[ ]" 2
9 1 4 ASP H 1 4 ASP HB3 3.300 . 3.300 3.321 3.321 3.321 0.021 1 0 "[ ]" 2
10 1 4 ASP H 1 4 ASP HB2 3.300 . 3.300 2.031 2.031 2.031 . 0 0 "[ ]" 2
11 1 4 ASP H 1 5 GLN H 5.000 . 5.000 3.892 3.892 3.892 . 0 0 "[ ]" 2
12 1 4 ASP H 1 7 ALA MB 6.000 . 6.500 5.123 5.123 5.123 . 0 0 "[ ]" 2
13 1 5 GLN HA 1 5 GLN HE21 5.000 . 5.000 4.458 4.458 4.458 . 0 0 "[ ]" 2
14 1 5 GLN HA 1 5 GLN HE22 6.000 . 6.000 5.003 5.003 5.003 . 0 0 "[ ]" 2
15 1 5 GLN HA 1 24 TYR QB 6.000 . 7.000 4.510 4.510 4.510 . 0 0 "[ ]" 2
16 1 5 GLN H 1 5 GLN HE21 5.000 . 5.000 2.800 2.800 2.800 . 0 0 "[ ]" 2
17 1 5 GLN H 1 5 GLN HE22 5.000 . 5.000 2.989 2.989 2.989 . 0 0 "[ ]" 2
18 1 5 GLN H 1 6 CYS H 3.300 . 3.300 2.589 2.589 2.589 . 0 0 "[ ]" 2
19 1 6 CYS HA 1 8 SER H 5.000 . 5.000 4.570 4.570 4.570 . 0 0 "[ ]" 2
20 1 6 CYS HA 1 9 SER H 5.000 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 2
21 1 6 CYS HA 1 10 PRO HD2 5.000 . 5.000 2.439 2.439 2.439 . 0 0 "[ ]" 2
22 1 6 CYS HA 1 10 PRO HD3 5.000 . 5.000 2.528 2.528 2.528 . 0 0 "[ ]" 2
23 1 6 CYS HA 1 10 PRO HG2 6.000 . 6.000 3.740 3.740 3.740 . 0 0 "[ ]" 2
24 1 6 CYS HA 1 10 PRO HG3 6.000 . 6.000 3.244 3.244 3.244 . 0 0 "[ ]" 2
25 1 6 CYS HA 1 17 CYS HB3 5.000 . 5.000 4.746 4.746 4.746 . 0 0 "[ ]" 2
26 1 6 CYS HA 1 17 CYS HB2 6.000 . 6.000 4.817 4.817 4.817 . 0 0 "[ ]" 2
27 1 6 CYS QB 1 9 SER H 5.000 . 6.000 5.042 5.042 5.042 . 0 0 "[ ]" 2
28 1 6 CYS H 1 6 CYS HB2 3.300 . 3.300 2.520 2.520 2.520 . 0 0 "[ ]" 2
29 1 6 CYS H 1 7 ALA MB 6.000 . 6.500 4.331 4.331 4.331 . 0 0 "[ ]" 2
30 1 6 CYS H 1 7 ALA H 3.300 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 2
31 1 6 CYS H 1 19 ASP HB3 6.000 . 6.000 4.349 4.349 4.349 . 0 0 "[ ]" 2
32 1 6 CYS H 1 19 ASP HB2 5.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 2
33 1 7 ALA MB 1 8 SER HA 6.000 . 6.500 3.956 3.956 3.956 . 0 0 "[ ]" 2
34 1 7 ALA MB 1 9 SER H 6.000 . 6.500 4.062 4.062 4.062 . 0 0 "[ ]" 2
35 1 8 SER H 1 9 SER H 3.300 . 3.300 2.835 2.835 2.835 . 0 0 "[ ]" 2
36 1 8 SER H 1 10 PRO HD2 6.000 . 6.000 5.027 5.027 5.027 . 0 0 "[ ]" 2
37 1 8 SER H 1 10 PRO HD3 6.000 . 6.000 3.449 3.449 3.449 . 0 0 "[ ]" 2
38 1 9 SER HA 1 10 PRO HD3 5.000 . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 2
39 1 9 SER HA 1 10 PRO HD2 5.000 . 5.000 2.198 2.198 2.198 . 0 0 "[ ]" 2
40 1 9 SER H 1 9 SER HA 2.700 . 2.700 2.362 2.362 2.362 . 0 0 "[ ]" 2
41 1 9 SER H 1 10 PRO HD2 5.000 . 5.000 3.452 3.452 3.452 . 0 0 "[ ]" 2
42 1 9 SER H 1 10 PRO HD3 5.000 . 5.000 2.810 2.810 2.810 . 0 0 "[ ]" 2
43 1 10 PRO HB2 1 36 ASN HD21 6.000 . 6.000 2.404 2.404 2.404 . 0 0 "[ ]" 2
44 1 10 PRO HB3 1 36 ASN HD21 6.000 . 6.000 4.173 4.173 4.173 . 0 0 "[ ]" 2
45 1 10 PRO QB 1 36 ASN HD22 6.000 . 7.000 2.195 2.195 2.195 . 0 0 "[ ]" 2
46 1 10 PRO HD3 1 11 CYS H 5.000 . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 2
47 1 10 PRO HD2 1 11 CYS H 5.000 . 5.000 2.617 2.617 2.617 . 0 0 "[ ]" 2
48 1 10 PRO HG3 1 11 CYS H 5.000 . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 2
49 1 10 PRO HG2 1 11 CYS H 5.000 . 5.000 2.798 2.798 2.798 . 0 0 "[ ]" 2
50 1 11 CYS HA 1 12 GLN H 2.700 . 2.700 2.220 2.220 2.220 . 0 0 "[ ]" 2
51 1 11 CYS HA 1 36 ASN HA 5.000 . 5.000 2.984 2.984 2.984 . 0 0 "[ ]" 2
52 1 11 CYS HA 1 36 ASN HB3 5.000 . 5.000 3.730 3.730 3.730 . 0 0 "[ ]" 2
53 1 11 CYS HB3 1 15 GLY QA 3.300 . 4.300 3.075 3.075 3.075 . 0 0 "[ ]" 2
54 1 11 CYS HB3 1 15 GLY H 5.000 . 5.000 3.700 3.700 3.700 . 0 0 "[ ]" 2
55 1 11 CYS HB3 1 16 SER H 5.000 . 5.000 4.530 4.530 4.530 . 0 0 "[ ]" 2
56 1 11 CYS HB3 1 26 CYS HA 5.000 . 5.000 3.463 3.463 3.463 . 0 0 "[ ]" 2
57 1 11 CYS HB3 1 26 CYS HB3 5.000 . 5.000 2.565 2.565 2.565 . 0 0 "[ ]" 2
58 1 11 CYS HB3 1 26 CYS HB2 5.000 . 5.000 4.174 4.174 4.174 . 0 0 "[ ]" 2
59 1 11 CYS HB2 1 15 GLY QA 5.000 . 6.000 4.204 4.204 4.204 . 0 0 "[ ]" 2
60 1 11 CYS HB2 1 15 GLY H 5.000 . 5.000 4.259 4.259 4.259 . 0 0 "[ ]" 2
61 1 11 CYS HB2 1 17 CYS HB3 5.000 . 5.000 4.443 4.443 4.443 . 0 0 "[ ]" 2
62 1 11 CYS HB2 1 17 CYS HB2 6.000 . 6.000 2.749 2.749 2.749 . 0 0 "[ ]" 2
63 1 11 CYS H 1 11 CYS HB2 2.700 . 2.700 2.455 2.455 2.455 . 0 0 "[ ]" 2
64 1 11 CYS H 1 17 CYS HB2 5.000 . 5.000 3.236 3.236 3.236 . 0 0 "[ ]" 2
65 1 12 GLN HA 1 13 ASN H 3.300 . 3.300 2.771 2.771 2.771 . 0 0 "[ ]" 2
66 1 12 GLN HA 1 14 GLY H 5.000 . 5.000 3.236 3.236 3.236 . 0 0 "[ ]" 2
67 1 12 GLN HE21 1 36 ASN HB3 5.000 . 5.000 3.730 3.730 3.730 . 0 0 "[ ]" 2
68 1 12 GLN HE22 1 38 GLU HB3 5.000 . 5.000 4.957 4.957 4.957 . 0 0 "[ ]" 2
69 1 12 GLN HE22 1 38 GLU HB2 6.000 . 6.000 5.914 5.914 5.914 . 0 0 "[ ]" 2
70 1 12 GLN QG 1 13 ASN HD21 5.000 . 6.000 5.354 5.354 5.354 . 0 0 "[ ]" 2
71 1 12 GLN QG 1 13 ASN HD22 5.000 . 6.000 5.122 5.122 5.122 . 0 0 "[ ]" 2
72 1 12 GLN QG 1 38 GLU HA 3.300 . 4.300 3.655 3.655 3.655 . 0 0 "[ ]" 2
73 1 12 GLN H 1 12 GLN HG3 5.000 . 5.000 4.454 4.454 4.454 . 0 0 "[ ]" 2
74 1 12 GLN H 1 12 GLN HG2 5.000 . 5.000 4.748 4.748 4.748 . 0 0 "[ ]" 2
75 1 12 GLN H 1 15 GLY H 5.000 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 2
76 1 12 GLN H 1 36 ASN HA 5.000 . 5.000 3.684 3.684 3.684 . 0 0 "[ ]" 2
77 1 12 GLN H 1 37 CYS HB3 5.000 . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 2
78 1 12 GLN H 1 37 CYS HB2 2.700 . 2.700 1.993 1.993 1.993 . 0 0 "[ ]" 2
79 1 13 ASN HB3 1 32 PHE HZ 6.000 . 6.000 3.747 3.747 3.747 . 0 0 "[ ]" 2
80 1 13 ASN HB2 1 32 PHE HZ 6.000 . 6.000 5.422 5.422 5.422 . 0 0 "[ ]" 2
81 1 13 ASN HB2 1 37 CYS HB3 6.000 . 6.000 2.010 2.010 2.010 . 0 0 "[ ]" 2
82 1 13 ASN HD21 1 37 CYS HB3 5.000 . 5.000 1.992 1.992 1.992 . 0 0 "[ ]" 2
83 1 13 ASN HD21 1 37 CYS HB2 6.000 . 6.000 3.589 3.589 3.589 . 0 0 "[ ]" 2
84 1 13 ASN HD21 1 38 GLU HA 5.000 . 5.000 4.591 4.591 4.591 . 0 0 "[ ]" 2
85 1 13 ASN HD22 1 38 GLU HA 5.000 . 5.000 3.836 3.836 3.836 . 0 0 "[ ]" 2
86 1 13 ASN H 1 13 ASN HD21 5.000 . 5.000 4.726 4.726 4.726 . 0 0 "[ ]" 2
87 1 13 ASN H 1 13 ASN HD22 5.000 . 5.000 4.834 4.834 4.834 . 0 0 "[ ]" 2
88 1 13 ASN H 1 14 GLY H 3.300 . 3.300 2.806 2.806 2.806 . 0 0 "[ ]" 2
89 1 13 ASN H 1 15 GLY H 5.000 . 5.000 4.585 4.585 4.585 . 0 0 "[ ]" 2
90 1 14 GLY HA2 1 29 LEU MD1 5.000 . 7.500 6.252 6.252 6.252 . 0 0 "[ ]" 2
91 1 14 GLY HA3 1 29 LEU MD1 4.300 . 6.800 5.103 5.103 5.103 . 0 0 "[ ]" 2
92 1 14 GLY H 1 15 GLY H 2.700 . 2.700 2.714 2.714 2.714 0.014 1 0 "[ ]" 2
93 1 15 GLY HA3 1 16 SER H 3.300 . 3.300 2.819 2.819 2.819 . 0 0 "[ ]" 2
94 1 15 GLY HA2 1 16 SER H 2.700 . 2.700 2.416 2.416 2.416 . 0 0 "[ ]" 2
95 1 15 GLY QA 1 27 PHE H 5.000 . 6.000 3.462 3.462 3.462 . 0 0 "[ ]" 2
96 1 15 GLY HA2 1 28 CYS HA 3.300 . 3.300 2.916 2.916 2.916 . 0 0 "[ ]" 2
97 1 15 GLY HA3 1 28 CYS HA 3.300 . 3.300 3.128 3.128 3.128 . 0 0 "[ ]" 2
98 1 15 GLY H 1 15 GLY HA3 2.700 . 2.700 2.414 2.414 2.414 . 0 0 "[ ]" 2
99 1 16 SER H 1 26 CYS HA 5.000 . 5.000 4.507 4.507 4.507 . 0 0 "[ ]" 2
100 1 16 SER H 1 27 PHE HB3 6.000 . 6.000 3.082 3.082 3.082 . 0 0 "[ ]" 2
101 1 16 SER H 1 27 PHE HB2 5.000 . 5.000 1.998 1.998 1.998 . 0 0 "[ ]" 2
102 1 16 SER H 1 27 PHE H 3.300 . 3.300 2.539 2.539 2.539 . 0 0 "[ ]" 2
103 1 17 CYS HA 1 26 CYS HA 2.700 . 2.700 2.703 2.703 2.703 0.003 1 0 "[ ]" 2
104 1 17 CYS HA 1 27 PHE H 5.000 . 5.000 3.859 3.859 3.859 . 0 0 "[ ]" 2
105 1 17 CYS H 1 17 CYS HB3 2.700 . 2.700 2.435 2.435 2.435 . 0 0 "[ ]" 2
106 1 17 CYS H 1 17 CYS HB2 2.700 . 2.700 2.704 2.704 2.704 0.004 1 0 "[ ]" 2
107 1 17 CYS H 1 26 CYS HA 5.000 . 5.000 4.911 4.911 4.911 . 0 0 "[ ]" 2
108 1 18 LYS HB2 1 25 ILE MD 6.000 . 6.500 4.267 4.267 4.267 . 0 0 "[ ]" 2
109 1 18 LYS HB3 1 25 ILE MD 6.000 . 6.500 4.497 4.497 4.497 . 0 0 "[ ]" 2
110 1 18 LYS HB2 1 25 ILE MG 6.000 . 6.500 1.870 1.870 1.870 . 0 0 "[ ]" 2
111 1 18 LYS HB3 1 25 ILE MG 6.000 . 6.500 2.265 2.265 2.265 . 0 0 "[ ]" 2
112 1 18 LYS H 1 24 TYR HB3 6.000 . 6.000 5.330 5.330 5.330 . 0 0 "[ ]" 2
113 1 18 LYS H 1 24 TYR HB2 6.000 . 6.000 3.700 3.700 3.700 . 0 0 "[ ]" 2
114 1 18 LYS H 1 25 ILE MG 5.000 . 5.500 2.497 2.497 2.497 . 0 0 "[ ]" 2
115 1 18 LYS H 1 25 ILE H 3.300 . 3.300 2.795 2.795 2.795 . 0 0 "[ ]" 2
116 1 18 LYS H 1 26 CYS HA 5.000 . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 2
117 1 19 ASP HA 1 19 ASP HB3 2.700 . 2.700 2.465 2.465 2.465 . 0 0 "[ ]" 2
118 1 19 ASP HA 1 24 TYR HA 5.000 . 5.000 2.795 2.795 2.795 . 0 0 "[ ]" 2
119 1 19 ASP HA 1 24 TYR QB 5.000 . 6.000 3.074 3.074 3.074 . 0 0 "[ ]" 2
120 1 19 ASP H 1 19 ASP HB3 2.700 . 2.700 2.571 2.571 2.571 . 0 0 "[ ]" 2
121 1 20 GLN HA 1 21 LEU H 3.300 . 3.300 2.761 2.761 2.761 . 0 0 "[ ]" 2
122 1 20 GLN HB3 1 21 LEU H 5.000 . 5.000 4.408 4.408 4.408 . 0 0 "[ ]" 2
123 1 20 GLN HB3 1 24 TYR HA 5.000 . 5.000 4.576 4.576 4.576 . 0 0 "[ ]" 2
124 1 20 GLN HB3 1 25 ILE MD 5.000 . 5.500 4.585 4.585 4.585 . 0 0 "[ ]" 2
125 1 20 GLN HB3 1 25 ILE MG 6.000 . 6.500 4.205 4.205 4.205 . 0 0 "[ ]" 2
126 1 20 GLN HB2 1 21 LEU H 5.000 . 5.000 4.327 4.327 4.327 . 0 0 "[ ]" 2
127 1 20 GLN HB2 1 24 TYR HA 5.000 . 5.000 2.834 2.834 2.834 . 0 0 "[ ]" 2
128 1 20 GLN HB2 1 25 ILE MD 5.000 . 5.500 4.471 4.471 4.471 . 0 0 "[ ]" 2
129 1 20 GLN HB2 1 25 ILE MG 5.000 . 5.500 3.490 3.490 3.490 . 0 0 "[ ]" 2
130 1 20 GLN HE21 1 25 ILE MD 6.000 . 6.500 3.638 3.638 3.638 . 0 0 "[ ]" 2
131 1 20 GLN HE21 1 25 ILE MG 6.000 . 6.500 4.186 4.186 4.186 . 0 0 "[ ]" 2
132 1 20 GLN HE22 1 25 ILE MD 6.000 . 6.500 4.467 4.467 4.467 . 0 0 "[ ]" 2
133 1 20 GLN HE22 1 25 ILE MG 6.000 . 6.500 4.804 4.804 4.804 . 0 0 "[ ]" 2
134 1 20 GLN H 1 20 GLN HB2 3.300 . 3.300 2.325 2.325 2.325 . 0 0 "[ ]" 2
135 1 20 GLN H 1 23 SER H 5.000 . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 2
136 1 20 GLN H 1 24 TYR HA 3.300 . 3.300 2.124 2.124 2.124 . 0 0 "[ ]" 2
137 1 20 GLN H 1 24 TYR HB3 5.000 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 2
138 1 20 GLN H 1 24 TYR HB2 5.000 . 5.000 4.263 4.263 4.263 . 0 0 "[ ]" 2
139 1 20 GLN H 1 25 ILE H 5.000 . 5.000 4.039 4.039 4.039 . 0 0 "[ ]" 2
140 1 21 LEU H 1 21 LEU MD2 5.000 . 5.500 4.582 4.582 4.582 . 0 0 "[ ]" 2
141 1 21 LEU H 1 21 LEU MD1 5.000 . 5.500 4.581 4.581 4.581 . 0 0 "[ ]" 2
142 1 22 GLN HA 1 23 SER H 5.000 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 2
143 1 22 GLN H 1 23 SER H 5.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 2
144 1 23 SER HA 1 24 TYR H 3.300 . 3.300 2.753 2.753 2.753 . 0 0 "[ ]" 2
145 1 24 TYR HA 1 25 ILE HB 5.000 . 5.000 4.202 4.202 4.202 . 0 0 "[ ]" 2
146 1 24 TYR HA 1 25 ILE MG 6.000 . 6.500 3.715 3.715 3.715 . 0 0 "[ ]" 2
147 1 24 TYR HA 1 25 ILE H 2.700 . 2.700 2.573 2.573 2.573 . 0 0 "[ ]" 2
148 1 24 TYR HB3 1 25 ILE H 5.000 . 5.000 3.716 3.716 3.716 . 0 0 "[ ]" 2
149 1 24 TYR HB2 1 25 ILE H 3.300 . 3.300 2.294 2.294 2.294 . 0 0 "[ ]" 2
150 1 24 TYR QB 1 26 CYS HA 5.000 . 6.000 5.361 5.361 5.361 . 0 0 "[ ]" 2
151 1 25 ILE HA 1 26 CYS HA 5.000 . 5.000 4.494 4.494 4.494 . 0 0 "[ ]" 2
152 1 25 ILE HA 1 26 CYS HB3 6.000 . 6.000 5.697 5.697 5.697 . 0 0 "[ ]" 2
153 1 25 ILE HA 1 26 CYS HB2 6.000 . 6.000 4.435 4.435 4.435 . 0 0 "[ ]" 2
154 1 25 ILE HA 1 26 CYS H 3.300 . 3.300 2.207 2.207 2.207 . 0 0 "[ ]" 2
155 1 25 ILE HB 1 26 CYS H 5.000 . 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 2
156 1 25 ILE MD 1 26 CYS H 6.000 . 6.500 4.694 4.694 4.694 . 0 0 "[ ]" 2
157 1 25 ILE MD 1 27 PHE HZ 6.000 . 6.500 2.877 2.877 2.877 . 0 0 "[ ]" 2
158 1 25 ILE HG13 1 26 CYS H 5.000 . 5.000 3.260 3.260 3.260 . 0 0 "[ ]" 2
159 1 25 ILE HG12 1 26 CYS H 5.000 . 5.000 3.565 3.565 3.565 . 0 0 "[ ]" 2
160 1 25 ILE MG 1 26 CYS HA 6.000 . 6.500 4.175 4.175 4.175 . 0 0 "[ ]" 2
161 1 25 ILE MG 1 26 CYS H 5.000 . 5.500 4.083 4.083 4.083 . 0 0 "[ ]" 2
162 1 25 ILE MG 1 27 PHE HZ 6.000 . 6.500 3.344 3.344 3.344 . 0 0 "[ ]" 2
163 1 25 ILE H 1 25 ILE HG12 5.000 . 5.000 4.472 4.472 4.472 . 0 0 "[ ]" 2
164 1 25 ILE H 1 25 ILE HG13 5.000 . 5.000 4.659 4.659 4.659 . 0 0 "[ ]" 2
165 1 25 ILE H 1 26 CYS H 5.000 . 5.000 4.187 4.187 4.187 . 0 0 "[ ]" 2
166 1 26 CYS HA 1 26 CYS HB3 2.700 . 2.700 2.549 2.549 2.549 . 0 0 "[ ]" 2
167 1 26 CYS HB3 1 27 PHE H 3.300 . 3.300 3.312 3.312 3.312 0.012 1 0 "[ ]" 2
168 1 26 CYS HB3 1 36 ASN HA 5.000 . 5.000 4.424 4.424 4.424 . 0 0 "[ ]" 2
169 1 26 CYS HB3 1 37 CYS H 6.000 . 6.000 5.036 5.036 5.036 . 0 0 "[ ]" 2
170 1 26 CYS HB2 1 27 PHE HA 6.000 . 6.000 5.097 5.097 5.097 . 0 0 "[ ]" 2
171 1 26 CYS HB2 1 36 ASN HA 5.000 . 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 2
172 1 26 CYS HB2 1 37 CYS H 5.000 . 5.000 4.552 4.552 4.552 . 0 0 "[ ]" 2
173 1 26 CYS H 1 26 CYS HB2 2.700 . 2.700 2.268 2.268 2.268 . 0 0 "[ ]" 2
174 1 27 PHE HB3 1 28 CYS H 5.000 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 2
175 1 27 PHE H 1 27 PHE HB2 3.300 . 3.300 2.196 2.196 2.196 . 0 0 "[ ]" 2
176 1 28 CYS HA 1 28 CYS HB3 2.700 . 2.700 2.511 2.511 2.511 . 0 0 "[ ]" 2
177 1 28 CYS HA 1 37 CYS HB2 6.000 . 6.000 5.976 5.976 5.976 . 0 0 "[ ]" 2
178 1 28 CYS HB3 1 29 LEU H 3.300 . 3.300 2.609 2.609 2.609 . 0 0 "[ ]" 2
179 1 28 CYS HB3 1 32 PHE HB3 3.300 . 3.300 3.333 3.333 3.333 0.033 1 0 "[ ]" 2
180 1 28 CYS HB3 1 32 PHE HB2 3.300 . 3.300 2.601 2.601 2.601 . 0 0 "[ ]" 2
181 1 28 CYS HB3 1 32 PHE H 5.000 . 5.000 4.603 4.603 4.603 . 0 0 "[ ]" 2
182 1 28 CYS HB2 1 32 PHE HB3 5.000 . 5.000 3.995 3.995 3.995 . 0 0 "[ ]" 2
183 1 28 CYS HB2 1 32 PHE H 5.000 . 5.000 4.929 4.929 4.929 . 0 0 "[ ]" 2
184 1 28 CYS H 1 28 CYS HB2 2.700 . 2.700 2.415 2.415 2.415 . 0 0 "[ ]" 2
185 1 29 LEU HA 1 30 PRO HD3 5.000 . 5.000 2.416 2.416 2.416 . 0 0 "[ ]" 2
186 1 29 LEU HA 1 30 PRO HD2 5.000 . 5.000 2.543 2.543 2.543 . 0 0 "[ ]" 2
187 1 29 LEU MD2 1 30 PRO HD2 6.000 . 6.500 3.532 3.532 3.532 . 0 0 "[ ]" 2
188 1 29 LEU MD1 1 30 PRO HD2 6.000 . 6.500 4.140 4.140 4.140 . 0 0 "[ ]" 2
189 1 29 LEU MD1 1 30 PRO HD3 6.000 . 6.500 4.463 4.463 4.463 . 0 0 "[ ]" 2
190 1 29 LEU MD2 1 30 PRO HD3 6.000 . 6.500 4.781 4.781 4.781 . 0 0 "[ ]" 2
191 1 29 LEU MD1 1 32 PHE HZ 6.000 . 8.500 4.090 4.090 4.090 . 0 0 "[ ]" 2
192 1 29 LEU HG 1 30 PRO HD3 5.000 . 5.000 3.713 3.713 3.713 . 0 0 "[ ]" 2
193 1 29 LEU HG 1 30 PRO HD2 5.000 . 5.000 2.886 2.886 2.886 . 0 0 "[ ]" 2
194 1 29 LEU HG 1 31 ALA H 5.000 . 5.000 4.674 4.674 4.674 . 0 0 "[ ]" 2
195 1 29 LEU HG 1 32 PHE HZ 6.000 . 6.000 6.099 6.099 6.099 0.099 1 0 "[ ]" 2
196 1 29 LEU H 1 29 LEU MD1 5.000 . 5.500 1.897 1.897 1.897 . 0 0 "[ ]" 2
197 1 29 LEU H 1 29 LEU MD2 5.000 . 5.500 3.657 3.657 3.657 . 0 0 "[ ]" 2
198 1 29 LEU H 1 29 LEU HG 5.000 . 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 2
199 1 29 LEU H 1 32 PHE HB2 6.000 . 6.000 3.831 3.831 3.831 . 0 0 "[ ]" 2
200 1 30 PRO HA 1 30 PRO HB3 2.700 . 2.700 2.309 2.309 2.309 . 0 0 "[ ]" 2
201 1 30 PRO HA 1 32 PHE H 5.000 . 5.000 3.669 3.669 3.669 . 0 0 "[ ]" 2
202 1 30 PRO HD2 1 31 ALA H 6.000 . 6.000 2.884 2.884 2.884 . 0 0 "[ ]" 2
203 1 30 PRO HD3 1 31 ALA H 6.000 . 6.000 3.998 3.998 3.998 . 0 0 "[ ]" 2
204 1 31 ALA HA 1 32 PHE H 3.300 . 3.300 3.334 3.334 3.334 0.034 1 0 "[ ]" 2
205 1 31 ALA HA 1 41 LYS HB3 5.000 . 5.000 4.714 4.714 4.714 . 0 0 "[ ]" 2
206 1 31 ALA HA 1 41 LYS H 5.000 . 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 2
207 1 31 ALA MB 1 32 PHE HZ 6.000 . 6.500 4.732 4.732 4.732 . 0 0 "[ ]" 2
208 1 31 ALA MB 1 40 HIS HA 6.000 . 6.500 4.192 4.192 4.192 . 0 0 "[ ]" 2
209 1 31 ALA MB 1 40 HIS HD2 5.000 . 5.500 3.018 3.018 3.018 . 0 0 "[ ]" 2
210 1 31 ALA MB 1 40 HIS HE1 6.000 . 6.500 3.872 3.872 3.872 . 0 0 "[ ]" 2
211 1 31 ALA H 1 32 PHE H 2.700 . 2.700 2.552 2.552 2.552 . 0 0 "[ ]" 2
212 1 32 PHE HA 1 33 GLU H 2.700 . 2.700 2.433 2.433 2.433 . 0 0 "[ ]" 2
213 1 32 PHE HA 1 40 HIS HA 2.700 . 2.700 1.998 1.998 1.998 . 0 0 "[ ]" 2
214 1 32 PHE HA 1 40 HIS HD2 5.000 . 5.000 4.590 4.590 4.590 . 0 0 "[ ]" 2
215 1 32 PHE HA 1 41 LYS QG 5.000 . 6.000 4.515 4.515 4.515 . 0 0 "[ ]" 2
216 1 32 PHE HA 1 41 LYS H 2.700 . 2.700 2.674 2.674 2.674 . 0 0 "[ ]" 2
217 1 32 PHE HB3 1 33 GLU H 5.000 . 5.000 2.532 2.532 2.532 . 0 0 "[ ]" 2
218 1 32 PHE HB3 1 37 CYS HA 5.000 . 5.000 3.163 3.163 3.163 . 0 0 "[ ]" 2
219 1 32 PHE HB3 1 40 HIS HA 5.000 . 5.000 4.170 4.170 4.170 . 0 0 "[ ]" 2
220 1 32 PHE HB2 1 33 GLU H 5.000 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 2
221 1 32 PHE HB2 1 37 CYS HA 5.000 . 5.000 4.379 4.379 4.379 . 0 0 "[ ]" 2
222 1 32 PHE H 1 32 PHE HB2 2.700 . 2.700 2.348 2.348 2.348 . 0 0 "[ ]" 2
223 1 32 PHE HZ 1 40 HIS HA 6.000 . 6.000 5.958 5.958 5.958 . 0 0 "[ ]" 2
224 1 32 PHE HZ 1 40 HIS HE1 6.000 . 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 2
225 1 33 GLU HA 1 34 GLY H 2.700 . 2.700 2.461 2.461 2.461 . 0 0 "[ ]" 2
226 1 33 GLU HA 1 37 CYS HA 5.000 . 5.000 4.341 4.341 4.341 . 0 0 "[ ]" 2
227 1 33 GLU H 1 34 GLY QA 6.000 . 7.000 4.503 4.503 4.503 . 0 0 "[ ]" 2
228 1 33 GLU H 1 37 CYS HA 5.000 . 5.000 3.540 3.540 3.540 . 0 0 "[ ]" 2
229 1 33 GLU H 1 37 CYS H 6.000 . 6.000 5.551 5.551 5.551 . 0 0 "[ ]" 2
230 1 33 GLU H 1 39 THR HA 5.000 . 5.000 4.343 4.343 4.343 . 0 0 "[ ]" 2
231 1 33 GLU H 1 39 THR HB 5.000 . 5.000 2.667 2.667 2.667 . 0 0 "[ ]" 2
232 1 33 GLU H 1 39 THR MG 6.000 . 6.500 3.626 3.626 3.626 . 0 0 "[ ]" 2
233 1 33 GLU H 1 39 THR H 5.000 . 5.000 2.679 2.679 2.679 . 0 0 "[ ]" 2
234 1 33 GLU H 1 40 HIS HA 6.000 . 6.000 3.527 3.527 3.527 . 0 0 "[ ]" 2
235 1 33 GLU H 1 41 LYS QG 5.000 . 6.000 4.264 4.264 4.264 . 0 0 "[ ]" 2
236 1 33 GLU H 1 41 LYS H 6.000 . 6.000 3.732 3.732 3.732 . 0 0 "[ ]" 2
237 1 34 GLY HA3 1 36 ASN H 5.000 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 2
238 1 34 GLY HA2 1 36 ASN H 5.000 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 2
239 1 34 GLY QA 1 37 CYS H 5.000 . 6.000 3.422 3.422 3.422 . 0 0 "[ ]" 2
240 1 34 GLY QA 1 38 GLU H 5.000 . 6.000 2.454 2.454 2.454 . 0 0 "[ ]" 2
241 1 34 GLY QA 1 39 THR HB 5.000 . 6.000 3.513 3.513 3.513 . 0 0 "[ ]" 2
242 1 34 GLY QA 1 39 THR H 5.000 . 6.000 3.778 3.778 3.778 . 0 0 "[ ]" 2
243 1 35 ARG HA 1 37 CYS H 5.000 . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 2
244 1 35 ARG HB2 1 36 ASN H 5.000 . 5.000 3.854 3.854 3.854 . 0 0 "[ ]" 2
245 1 35 ARG HB3 1 36 ASN H 5.000 . 5.000 2.589 2.589 2.589 . 0 0 "[ ]" 2
246 1 35 ARG QB 1 37 CYS H 6.000 . 7.000 4.594 4.594 4.594 . 0 0 "[ ]" 2
247 1 35 ARG H 1 36 ASN H 5.000 . 5.000 2.712 2.712 2.712 . 0 0 "[ ]" 2
248 1 35 ARG H 1 37 CYS H 5.000 . 5.000 4.171 4.171 4.171 . 0 0 "[ ]" 2
249 1 36 ASN HA 1 36 ASN HB3 2.700 . 2.700 2.571 2.571 2.571 . 0 0 "[ ]" 2
250 1 36 ASN HB3 1 38 GLU H 5.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 2
251 1 36 ASN HB3 1 36 ASN HD21 3.300 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 2
252 1 36 ASN H 1 36 ASN HB2 3.300 . 3.300 2.299 2.299 2.299 . 0 0 "[ ]" 2
253 1 36 ASN H 1 36 ASN HD21 5.000 . 5.000 4.311 4.311 4.311 . 0 0 "[ ]" 2
254 1 36 ASN H 1 37 CYS HA 5.000 . 5.000 4.742 4.742 4.742 . 0 0 "[ ]" 2
255 1 36 ASN H 1 37 CYS H 2.700 . 2.700 2.703 2.703 2.703 0.003 1 0 "[ ]" 2
256 1 36 ASN H 1 38 GLU H 5.000 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 2
257 1 37 CYS HA 1 37 CYS HB3 2.700 . 2.700 2.501 2.501 2.501 . 0 0 "[ ]" 2
258 1 37 CYS HA 1 39 THR H 5.000 . 5.000 3.225 3.225 3.225 . 0 0 "[ ]" 2
259 1 37 CYS HB3 1 39 THR H 5.000 . 5.000 4.493 4.493 4.493 . 0 0 "[ ]" 2
260 1 37 CYS H 1 37 CYS HA 2.700 . 2.700 2.361 2.361 2.361 . 0 0 "[ ]" 2
261 1 37 CYS H 1 38 GLU H 3.300 . 3.300 2.949 2.949 2.949 . 0 0 "[ ]" 2
262 1 37 CYS H 1 39 THR H 5.000 . 5.000 4.876 4.876 4.876 . 0 0 "[ ]" 2
263 1 38 GLU HG3 1 39 THR H 5.000 . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 2
264 1 38 GLU HG2 1 39 THR H 5.000 . 5.000 4.116 4.116 4.116 . 0 0 "[ ]" 2
265 1 38 GLU H 1 38 GLU HB3 3.300 . 3.300 2.847 2.847 2.847 . 0 0 "[ ]" 2
266 1 38 GLU H 1 39 THR HB 5.000 . 5.000 4.208 4.208 4.208 . 0 0 "[ ]" 2
267 1 38 GLU H 1 39 THR H 2.700 . 2.700 2.618 2.618 2.618 . 0 0 "[ ]" 2
268 1 39 THR HA 1 40 HIS H 3.300 . 3.300 2.305 2.305 2.305 . 0 0 "[ ]" 2
269 1 39 THR MG 1 40 HIS HA 6.000 . 6.500 3.802 3.802 3.802 . 0 0 "[ ]" 2
270 1 39 THR MG 1 40 HIS H 5.000 . 5.500 2.333 2.333 2.333 . 0 0 "[ ]" 2
271 1 39 THR H 1 39 THR HB 2.700 . 2.700 2.718 2.718 2.718 0.018 1 0 "[ ]" 2
272 1 40 HIS HA 1 40 HIS HD2 5.000 . 5.000 3.219 3.219 3.219 . 0 0 "[ ]" 2
273 1 40 HIS HA 1 41 LYS H 2.700 . 2.700 2.324 2.324 2.324 . 0 0 "[ ]" 2
274 1 40 HIS HD2 1 41 LYS H 5.000 . 5.000 3.490 3.490 3.490 . 0 0 "[ ]" 2
275 1 40 HIS H 1 40 HIS HD2 5.000 . 5.000 4.868 4.868 4.868 . 0 0 "[ ]" 2
276 1 41 LYS HA 1 41 LYS HB3 2.700 . 2.700 2.586 2.586 2.586 . 0 0 "[ ]" 2
277 1 41 LYS HA 1 43 ASP H 5.000 . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 2
278 1 41 LYS HB3 1 42 ASP H 5.000 . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 2
279 1 41 LYS HB3 1 43 ASP H 5.000 . 5.000 3.681 3.681 3.681 . 0 0 "[ ]" 2
280 1 41 LYS HB2 1 41 LYS HG3 2.700 . 2.700 2.311 2.311 2.311 . 0 0 "[ ]" 2
281 1 41 LYS HB2 1 41 LYS HG2 2.700 . 2.700 2.673 2.673 2.673 . 0 0 "[ ]" 2
282 1 41 LYS HB2 1 43 ASP H 6.000 . 6.000 5.072 5.072 5.072 . 0 0 "[ ]" 2
283 1 41 LYS H 1 41 LYS HB2 2.700 . 2.700 2.191 2.191 2.191 . 0 0 "[ ]" 2
284 1 41 LYS H 1 41 LYS HG2 5.000 . 5.000 2.659 2.659 2.659 . 0 0 "[ ]" 2
285 1 41 LYS H 1 41 LYS HG3 5.000 . 5.000 3.404 3.404 3.404 . 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 5
_Distance_constraint_stats_list.Viol_total 0.145
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0172
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0289
_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 12 GLN 0.016 0.016 1 0 "[ ]"
1 15 GLY 0.000 0.000 . 0 "[ ]"
1 16 SER 0.010 0.010 1 0 "[ ]"
1 18 LYS 0.019 0.019 1 0 "[ ]"
1 25 ILE 0.019 0.019 1 0 "[ ]"
1 27 PHE 0.010 0.010 1 0 "[ ]"
1 29 LEU 0.063 0.063 1 0 "[ ]"
1 32 PHE 0.063 0.063 1 0 "[ ]"
1 33 GLU 0.037 0.037 1 0 "[ ]"
1 36 ASN 0.016 0.016 1 0 "[ ]"
1 39 THR 0.037 0.037 1 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 18 LYS N 1 25 ILE O 3.300 2.500 3.300 3.090 3.090 3.090 . 0 0 "[ ]" 3
2 1 18 LYS H 1 25 ILE O 2.200 . 2.200 2.219 2.219 2.219 0.019 1 0 "[ ]" 3
3 1 16 SER O 1 27 PHE N 3.300 2.500 3.300 2.729 2.729 2.729 . 0 0 "[ ]" 3
4 1 16 SER O 1 27 PHE H 2.200 . 2.200 1.813 1.813 1.813 . 0 0 "[ ]" 3
5 1 12 GLN N 1 36 ASN O 3.300 2.500 3.300 2.996 2.996 2.996 . 0 0 "[ ]" 3
6 1 12 GLN H 1 36 ASN O 2.200 . 2.200 2.216 2.216 2.216 0.016 1 0 "[ ]" 3
7 1 33 GLU O 1 39 THR N 3.300 2.500 3.300 2.844 2.844 2.844 . 0 0 "[ ]" 3
8 1 33 GLU O 1 39 THR H 2.200 . 2.200 2.237 2.237 2.237 0.037 1 0 "[ ]" 3
9 1 18 LYS O 1 25 ILE N 3.300 2.500 3.300 2.940 2.940 2.940 . 0 0 "[ ]" 3
10 1 18 LYS O 1 25 ILE H 2.200 . 2.200 2.066 2.066 2.066 . 0 0 "[ ]" 3
11 1 33 GLU N 1 39 THR O 3.300 2.500 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 3
12 1 33 GLU H 1 39 THR O 2.200 . 2.200 1.731 1.731 1.731 . 0 0 "[ ]" 3
13 1 16 SER N 1 27 PHE O 3.300 2.500 3.300 3.072 3.072 3.072 . 0 0 "[ ]" 3
14 1 16 SER H 1 27 PHE O 2.200 . 2.200 2.210 2.210 2.210 0.010 1 0 "[ ]" 3
15 1 29 LEU O 1 32 PHE N 3.300 2.500 3.300 3.216 3.216 3.216 . 0 0 "[ ]" 3
16 1 29 LEU O 1 32 PHE H 2.200 . 2.200 2.263 2.263 2.263 0.063 1 0 "[ ]" 3
17 1 12 GLN O 1 15 GLY N 3.300 2.500 3.300 2.917 2.917 2.917 . 0 0 "[ ]" 3
18 1 12 GLN O 1 15 GLY H 2.200 . 2.200 2.167 2.167 2.167 . 0 0 "[ ]" 3
stop_
save_
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