NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
399862 |
1ugl   |
5848 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ugl
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 235
_Distance_constraint_stats_list.Viol_count 633
_Distance_constraint_stats_list.Viol_total 1652.852
_Distance_constraint_stats_list.Viol_max 2.823
_Distance_constraint_stats_list.Viol_rms 0.0612
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0870
_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 4 LYS 0.629 0.093 3 0 "[ . 1 . 2 . 3]"
1 5 ARG 0.894 0.093 3 0 "[ . 1 . 2 . 3]"
1 6 CYS 0.889 0.136 12 0 "[ . 1 . 2 . 3]"
1 7 THR 4.806 0.214 30 0 "[ . 1 . 2 . 3]"
1 8 ARG 0.592 0.057 9 0 "[ . 1 . 2 . 3]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 PHE 0.039 0.020 25 0 "[ . 1 . 2 . 3]"
1 11 ARG 7.738 0.298 22 0 "[ . 1 . 2 . 3]"
1 12 LYS 4.577 0.214 30 0 "[ . 1 . 2 . 3]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 LYS 1.420 0.077 6 0 "[ . 1 . 2 . 3]"
1 17 THR 4.071 0.173 29 0 "[ . 1 . 2 . 3]"
1 18 THR 2.180 0.110 6 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 GLU 3.561 0.122 10 0 "[ . 1 . 2 . 3]"
1 21 GLU 0.032 0.024 20 0 "[ . 1 . 2 . 3]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 LYS 7.387 0.253 24 0 "[ . 1 . 2 . 3]"
1 24 CYS 0.531 0.095 5 0 "[ . 1 . 2 . 3]"
1 25 LYS 0.400 0.050 29 0 "[ . 1 . 2 . 3]"
1 26 THR 0.035 0.035 21 0 "[ . 1 . 2 . 3]"
1 27 LEU 1.195 0.105 25 0 "[ . 1 . 2 . 3]"
1 28 TYR 0.379 0.084 16 0 "[ . 1 . 2 . 3]"
1 29 PRO 0.191 0.050 29 0 "[ . 1 . 2 . 3]"
1 30 ARG 14.425 2.823 28 3 "[ . 1 . 2 . +*-]"
1 31 GLY 0.407 0.110 30 0 "[ . 1 . 2 . 3]"
1 32 GLN 2.041 0.115 5 0 "[ . 1 . 2 . 3]"
1 33 CYS 1.898 0.115 5 0 "[ . 1 . 2 . 3]"
1 34 THR 5.709 0.300 26 0 "[ . 1 . 2 . 3]"
1 35 CYS 0.032 0.024 20 0 "[ . 1 . 2 . 3]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 ASP 0.014 0.014 30 0 "[ . 1 . 2 . 3]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 MET 0.253 0.092 26 0 "[ . 1 . 2 . 3]"
1 41 ASN 1.044 0.077 6 0 "[ . 1 . 2 . 3]"
1 42 THR 1.724 0.092 26 0 "[ . 1 . 2 . 3]"
1 43 HIS 5.750 0.173 29 0 "[ . 1 . 2 . 3]"
1 44 SER 13.787 0.298 22 0 "[ . 1 . 2 . 3]"
1 45 CYS 1.616 0.121 24 0 "[ . 1 . 2 . 3]"
1 46 ASP 1.532 0.115 27 0 "[ . 1 . 2 . 3]"
1 47 CYS 1.862 0.140 30 0 "[ . 1 . 2 . 3]"
1 48 LYS 12.476 2.823 28 3 "[ . 1 . 2 . +*-]"
1 49 SER 3.488 0.141 26 0 "[ . 1 . 2 . 3]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 7 THR H 1 7 THR HA 3.000 . 3.000 2.266 2.259 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 7 THR HA 1 8 ARG H 3.000 . 3.000 2.293 2.116 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 7 THR HB 1 8 ARG H 5.000 . 5.000 2.904 2.257 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 8 ARG HA 1 9 GLY H 3.000 . 3.000 2.834 2.687 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 8 ARG QB 1 9 GLY H 5.000 . 6.000 3.822 3.666 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 8 ARG H 1 8 ARG QD 5.000 . 6.000 3.531 2.181 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 8 ARG H 1 8 ARG QG 3.000 . 4.000 3.126 1.876 4.057 0.057 9 0 "[ . 1 . 2 . 3]" 1
8 1 8 ARG QG 1 9 GLY H 5.000 . 6.000 4.300 3.536 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 7 THR MG 1 9 GLY QA 5.000 . 7.000 5.011 3.214 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 9 GLY QA 1 10 PHE H 5.000 . 6.000 2.865 2.702 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 9 GLY QA 1 11 ARG QD 5.000 . 7.000 5.597 3.174 6.911 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 10 PHE HA 1 11 ARG H 3.000 . 3.000 2.328 2.242 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 10 PHE QB 1 11 ARG H 5.000 . 6.000 4.012 3.934 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 10 PHE H 1 10 PHE QD 5.000 . 7.400 4.308 3.775 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 11 ARG HA 1 12 LYS H 3.000 . 3.000 2.606 2.338 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 11 ARG HA 1 44 SER QB 3.000 . 4.000 4.219 4.160 4.298 0.298 22 0 "[ . 1 . 2 . 3]" 1
17 1 8 ARG QG 1 11 ARG QD 5.000 . 7.000 4.945 2.499 5.927 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 11 ARG QD 1 42 THR MG 5.000 . 7.000 6.071 6.034 6.146 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 12 LYS HA 1 13 LEU H 3.000 . 3.000 2.418 2.338 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 12 LYS QB 1 13 LEU H 5.000 . 6.000 2.664 2.570 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 7 THR H 1 12 LYS QD 5.000 . 6.000 5.722 5.033 6.015 0.015 6 0 "[ . 1 . 2 . 3]" 1
22 1 10 PHE QD 1 12 LYS QD 5.000 . 8.400 4.221 3.721 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 12 LYS H 1 12 LYS QD 5.000 . 6.000 2.257 1.793 2.588 0.007 5 0 "[ . 1 . 2 . 3]" 1
24 1 12 LYS QD 1 13 LEU H 5.000 . 6.000 4.816 4.692 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 8 ARG H 1 12 LYS QE 5.000 . 6.000 3.216 2.390 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 7 THR H 1 12 LYS QG 5.000 . 6.000 6.152 6.116 6.214 0.214 30 0 "[ . 1 . 2 . 3]" 1
27 1 12 LYS QG 1 13 LEU H 5.000 . 6.000 3.998 3.899 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 12 LYS H 1 43 HIS H 5.000 . 5.000 3.560 3.460 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 13 LEU H 1 13 LEU HA 3.000 . 3.000 2.923 2.910 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 13 LEU HA 1 14 GLY H 3.000 . 3.000 2.296 2.240 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 13 LEU HA 1 42 THR HA 5.000 . 5.000 2.156 2.062 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 13 LEU HA 1 42 THR MG 5.000 . 6.000 2.770 2.603 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 13 LEU H 1 13 LEU QB 3.000 . 3.600 3.279 3.231 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 13 LEU H 1 13 LEU MD1 5.000 . 7.400 3.546 3.164 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 13 LEU MD1 1 14 GLY H 5.000 . 7.400 3.918 3.587 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 13 LEU H 1 13 LEU MD2 5.000 . 7.400 3.388 3.070 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 13 LEU MD2 1 14 GLY H 5.000 . 7.400 4.862 4.783 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 13 LEU H 1 13 LEU HG 3.000 . 3.000 2.095 2.029 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 14 GLY H 1 42 THR HA 5.000 . 5.000 3.339 3.184 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 15 LYS HA 1 15 LYS QE 5.000 . 6.000 4.336 3.260 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 15 LYS HA 1 43 HIS QB 5.000 . 6.000 4.312 3.975 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 15 LYS HA 1 43 HIS HE1 3.000 . 3.000 3.011 2.949 3.054 0.054 21 0 "[ . 1 . 2 . 3]" 1
43 1 15 LYS H 1 15 LYS QB 3.000 . 3.600 2.854 2.642 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 15 LYS QB 1 43 HIS HE1 5.000 . 6.000 4.257 4.170 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 15 LYS QB 1 15 LYS QE 3.000 . 5.000 3.193 2.113 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 15 LYS QG 1 43 HIS HE1 5.000 . 6.000 4.364 3.942 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 17 THR HB 1 20 GLU QB 5.000 . 6.000 3.029 2.532 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 17 THR HB 1 20 GLU QG 5.000 . 6.000 3.457 1.769 4.520 0.031 30 0 "[ . 1 . 2 . 3]" 1
49 1 17 THR HB 1 43 HIS HD2 5.000 . 5.000 5.130 5.103 5.173 0.173 29 0 "[ . 1 . 2 . 3]" 1
50 1 17 THR HB 1 43 HIS HE1 5.000 . 5.000 3.535 3.185 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 17 THR H 1 20 GLU H 5.000 . 5.000 4.150 4.113 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 18 THR HB 1 19 LEU H 5.000 . 5.000 2.496 2.118 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 18 THR MG 1 19 LEU H 5.000 . 6.000 2.631 2.427 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 18 THR MG 1 20 GLU HA 5.000 . 6.000 6.073 6.051 6.110 0.110 6 0 "[ . 1 . 2 . 3]" 1
55 1 19 LEU H 1 19 LEU HA 3.000 . 3.000 2.751 2.704 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 19 LEU HA 1 22 GLU H 5.000 . 5.000 3.553 3.445 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 19 LEU H 1 19 LEU MD1 5.000 . 7.400 4.261 3.368 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 19 LEU H 1 19 LEU MD2 5.000 . 7.400 3.116 2.703 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 19 LEU MD2 1 20 GLU H 5.000 . 7.400 4.507 3.108 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 18 THR H 1 19 LEU H 5.000 . 5.000 2.897 2.793 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 19 LEU H 1 20 GLU H 3.000 . 3.000 2.767 2.684 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 20 GLU HA 1 21 GLU H 5.000 . 5.000 3.566 3.539 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 20 GLU HA 1 23 LYS HA 5.000 . 5.000 5.031 4.907 5.122 0.122 10 0 "[ . 1 . 2 . 3]" 1
64 1 20 GLU HA 1 23 LYS H 5.000 . 5.000 3.170 3.047 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 20 GLU HA 1 24 CYS H 5.000 . 5.000 4.345 4.155 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 17 THR H 1 20 GLU QB 5.000 . 6.000 2.696 2.417 3.078 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 20 GLU H 1 20 GLU QB 3.000 . 3.600 2.255 2.071 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 20 GLU QB 1 21 GLU H 5.000 . 6.000 2.776 2.225 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 20 GLU QB 1 43 HIS HD2 5.000 . 6.000 2.957 2.509 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 17 THR H 1 20 GLU QG 5.000 . 6.000 2.655 2.179 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 20 GLU H 1 20 GLU QG 3.000 . 4.000 3.120 2.169 4.033 0.033 14 0 "[ . 1 . 2 . 3]" 1
72 1 20 GLU QG 1 21 GLU H 5.000 . 6.000 2.649 1.965 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 20 GLU H 1 21 GLU H 3.000 . 3.000 2.565 2.360 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 21 GLU HA 1 21 GLU QG 3.000 . 4.000 3.326 3.310 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 21 GLU HA 1 22 GLU H 5.000 . 5.000 3.455 3.415 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 21 GLU HA 1 24 CYS QB 5.000 . 6.000 3.395 2.841 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 21 GLU HA 1 24 CYS H 5.000 . 5.000 3.668 3.387 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 21 GLU HA 1 35 CYS QB 5.000 . 6.000 2.805 2.288 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 21 GLU HA 1 35 CYS H 5.000 . 5.000 3.874 3.747 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 21 GLU H 1 21 GLU QG 3.000 . 4.000 2.494 2.347 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 21 GLU QG 1 22 GLU HA 5.000 . 6.000 3.195 3.022 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 21 GLU QG 1 22 GLU H 3.000 . 4.000 2.264 1.996 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 21 GLU QG 1 35 CYS QB 5.000 . 7.000 4.316 3.792 4.778 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 21 GLU QG 1 35 CYS H 5.000 . 6.000 5.772 5.296 6.024 0.024 20 0 "[ . 1 . 2 . 3]" 1
85 1 18 THR MG 1 21 GLU QG 5.000 . 7.000 3.107 2.860 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 21 GLU H 1 22 GLU H 3.000 . 3.000 2.511 2.417 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 22 GLU H 1 22 GLU HA 3.000 . 3.000 2.858 2.827 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 22 GLU HA 1 26 THR MG 5.000 . 6.000 3.492 2.773 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 22 GLU H 1 22 GLU QB 3.000 . 3.600 2.095 2.057 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 22 GLU QB 1 23 LYS H 5.000 . 6.000 2.708 2.450 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 18 THR MG 1 22 GLU QB 5.000 . 7.000 2.961 2.789 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 22 GLU QB 1 26 THR MG 5.000 . 7.000 3.033 2.295 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 18 THR MG 1 22 GLU QG 5.000 . 7.000 2.366 2.084 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 22 GLU QG 1 26 THR MG 5.000 . 7.000 3.641 3.085 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 22 GLU H 1 23 LYS H 3.000 . 3.000 2.450 2.325 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 23 LYS HA 1 23 LYS QE 5.000 . 6.000 4.212 2.136 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 23 LYS H 1 23 LYS HA 3.000 . 3.000 2.764 2.693 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 23 LYS HA 1 25 LYS H 5.000 . 5.000 4.524 4.076 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 23 LYS HA 1 26 THR H 5.000 . 5.000 4.405 3.792 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 23 LYS HA 1 27 LEU H 5.000 . 5.000 3.770 3.114 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 23 LYS H 1 23 LYS QB 3.000 . 3.600 2.231 2.178 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 23 LYS QB 1 24 CYS H 5.000 . 6.000 2.448 2.036 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 8 ARG QG 1 23 LYS QB 5.000 . 7.000 6.270 4.951 6.919 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 19 LEU MD2 1 23 LYS QB 5.000 . 8.400 5.003 3.188 5.648 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 23 LYS QB 1 27 LEU MD1 5.000 . 8.400 4.119 3.327 5.285 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 23 LYS H 1 23 LYS QD 5.000 . 6.000 4.581 4.265 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 23 LYS QG 1 27 LEU MD1 5.000 . 8.400 2.882 1.795 3.596 0.005 18 0 "[ . 1 . 2 . 3]" 1
108 1 23 LYS QG 1 27 LEU MD2 5.000 . 8.400 3.027 2.178 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 23 LYS H 1 24 CYS H 3.000 . 3.000 2.780 2.600 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 23 LYS QE 1 24 CYS HA 5.000 . 6.000 5.952 5.384 6.095 0.095 5 0 "[ . 1 . 2 . 3]" 1
111 1 24 CYS HA 1 25 LYS H 5.000 . 5.000 3.536 3.423 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 24 CYS H 1 24 CYS QB 3.000 . 3.600 2.547 2.027 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 24 CYS QB 1 25 LYS H 5.000 . 6.000 2.630 2.234 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 24 CYS H 1 25 LYS H 3.000 . 3.000 2.678 2.522 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 25 LYS HA 1 25 LYS QE 5.000 . 6.000 1.870 1.763 2.146 0.037 28 0 "[ . 1 . 2 . 3]" 1
116 1 25 LYS HA 1 29 PRO QB 5.000 . 6.000 5.676 4.771 6.050 0.050 29 0 "[ . 1 . 2 . 3]" 1
117 1 25 LYS HA 1 33 CYS QB 5.000 . 6.000 4.330 3.565 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 19 LEU MD2 1 25 LYS QB 5.000 . 8.400 7.264 6.499 7.889 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 25 LYS H 1 25 LYS QB 3.000 . 3.600 2.141 2.046 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 25 LYS QB 1 26 THR H 5.000 . 6.000 2.219 1.765 2.972 0.035 21 0 "[ . 1 . 2 . 3]" 1
121 1 25 LYS H 1 25 LYS QD 5.000 . 6.000 2.881 2.203 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 25 LYS H 1 26 THR H 5.000 . 5.000 2.878 2.511 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 25 LYS H 1 27 LEU H 5.000 . 5.000 3.985 3.594 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 26 THR HA 1 27 LEU H 5.000 . 5.000 3.556 3.449 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 26 THR HB 1 27 LEU H 5.000 . 5.000 3.705 3.401 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 26 THR MG 1 27 LEU H 5.000 . 6.000 3.998 3.791 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 27 LEU HA 1 28 TYR H 5.000 . 5.000 3.542 3.504 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 27 LEU QB 1 28 TYR H 5.000 . 6.000 2.643 2.460 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 27 LEU H 1 27 LEU MD1 5.000 . 7.400 3.028 1.991 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 27 LEU H 1 27 LEU MD2 5.000 . 7.400 3.352 1.801 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 27 LEU H 1 27 LEU HG 5.000 . 5.000 3.647 1.860 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 27 LEU HG 1 28 TYR H 5.000 . 5.000 4.860 3.815 5.047 0.047 23 0 "[ . 1 . 2 . 3]" 1
133 1 26 THR H 1 27 LEU H 5.000 . 5.000 2.874 2.368 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 27 LEU H 1 28 TYR H 5.000 . 5.000 2.436 2.350 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 28 TYR HA 1 29 PRO QD 3.000 . 4.000 1.981 1.821 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 27 LEU H 1 28 TYR QB 5.000 . 6.000 4.963 4.817 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 7 THR H 1 28 TYR QB 5.000 . 6.000 5.389 4.205 6.084 0.084 16 0 "[ . 1 . 2 . 3]" 1
138 1 29 PRO QD 1 30 ARG H 5.000 . 6.000 3.848 2.676 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 28 TYR H 1 29 PRO QD 5.000 . 6.000 4.037 3.336 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 29 PRO QG 1 30 ARG H 5.000 . 6.000 4.276 1.782 4.989 0.018 29 0 "[ . 1 . 2 . 3]" 1
141 1 30 ARG HA 1 31 GLY H 3.000 . 3.000 2.574 2.188 3.110 0.110 30 0 "[ . 1 . 2 . 3]" 1
142 1 30 ARG QB 1 34 THR HB 5.000 . 6.000 6.190 6.103 6.300 0.300 26 0 "[ . 1 . 2 . 3]" 1
143 1 30 ARG QG 1 31 GLY H 5.000 . 6.000 3.427 2.385 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 30 ARG QG 1 48 LYS H 5.000 . 6.000 5.974 4.826 8.823 2.823 28 3 "[ . 1 . 2 . +*-]" 1
145 1 30 ARG H 1 31 GLY H 5.000 . 5.000 4.422 4.080 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 31 GLY QA 1 32 GLN H 5.000 . 6.000 2.782 2.331 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 31 GLY H 1 32 GLN H 3.000 . 3.000 2.063 1.650 3.053 0.053 29 0 "[ . 1 . 2 . 3]" 1
148 1 32 GLN H 1 32 GLN HA 3.000 . 3.000 2.870 2.279 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 32 GLN HA 1 33 CYS H 3.000 . 3.000 3.051 2.826 3.115 0.115 5 0 "[ . 1 . 2 . 3]" 1
150 1 32 GLN QB 1 33 CYS H 5.000 . 6.000 3.677 3.521 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 32 GLN QB 1 48 LYS H 5.000 . 6.000 5.363 4.703 6.040 0.040 27 0 "[ . 1 . 2 . 3]" 1
152 1 32 GLN QB 1 49 SER H 5.000 . 6.000 5.632 5.086 5.766 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 32 GLN H 1 32 GLN QG 3.000 . 4.000 2.429 1.894 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 32 GLN H 1 33 CYS H 5.000 . 5.000 2.333 2.002 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 33 CYS HA 1 34 THR H 3.000 . 3.000 2.280 2.118 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 33 CYS HA 1 47 CYS HA 3.000 . 3.000 1.935 1.644 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 33 CYS HA 1 48 LYS H 5.000 . 5.000 4.862 4.685 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 33 CYS QB 1 34 THR H 5.000 . 6.000 3.601 3.005 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 33 CYS QB 1 46 ASP QB 5.000 . 7.000 5.974 5.201 6.514 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 33 CYS H 1 34 THR H 5.000 . 5.000 4.334 3.489 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 34 THR HB 1 35 CYS H 5.000 . 5.000 3.429 3.326 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 34 THR H 1 35 CYS H 5.000 . 5.000 4.191 3.876 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 35 CYS HA 1 36 SER H 3.000 . 3.000 2.153 2.098 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 35 CYS HA 1 45 CYS HA 5.000 . 5.000 3.185 2.635 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 36 SER HA 1 37 ASP H 3.000 . 3.000 2.139 2.110 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 36 SER QB 1 37 ASP H 5.000 . 6.000 3.628 3.113 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 36 SER H 1 44 SER H 5.000 . 5.000 3.641 3.241 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 37 ASP HA 1 38 SER H 3.000 . 3.000 2.329 2.134 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 37 ASP HA 1 43 HIS HA 5.000 . 5.000 3.429 3.120 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 37 ASP HA 1 43 HIS QB 5.000 . 6.000 2.090 1.803 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 17 THR H 1 37 ASP QB 5.000 . 6.000 5.530 4.764 6.014 0.014 30 0 "[ . 1 . 2 . 3]" 1
172 1 37 ASP H 1 37 ASP QB 3.000 . 3.600 2.624 2.410 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 37 ASP QB 1 38 SER H 5.000 . 6.000 3.289 2.373 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 37 ASP QB 1 43 HIS HE1 5.000 . 6.000 4.942 4.502 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 38 SER QB 1 39 LYS H 5.000 . 6.000 2.401 1.865 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 39 LYS H 1 39 LYS HA 3.000 . 3.000 2.816 2.269 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 40 MET H 1 40 MET HA 3.000 . 3.000 2.919 2.901 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 15 LYS H 1 41 ASN HA 3.000 . 3.000 3.027 2.816 3.077 0.077 6 0 "[ . 1 . 2 . 3]" 1
179 1 41 ASN H 1 41 ASN HA 3.000 . 3.000 2.813 2.281 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 41 ASN HA 1 42 THR H 5.000 . 5.000 3.460 3.303 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 41 ASN H 1 42 THR H 5.000 . 5.000 2.512 1.781 3.241 0.019 4 0 "[ . 1 . 2 . 3]" 1
182 1 42 THR HA 1 43 HIS H 5.000 . 5.000 2.158 2.136 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 12 LYS H 1 42 THR HB 5.000 . 5.000 4.627 4.569 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 42 THR HB 1 43 HIS H 3.000 . 3.000 3.048 2.983 3.079 0.079 7 0 "[ . 1 . 2 . 3]" 1
185 1 13 LEU H 1 42 THR MG 5.000 . 6.000 4.538 4.306 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 14 GLY H 1 42 THR MG 5.000 . 6.000 3.900 3.791 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 42 THR MG 1 43 HIS H 5.000 . 6.000 3.166 2.978 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 43 HIS HA 1 44 SER H 3.000 . 3.000 2.700 2.632 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 43 HIS QB 1 44 SER H 5.000 . 6.000 1.934 1.808 2.046 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 43 HIS HD2 1 44 SER HA 5.000 . 5.000 4.173 3.979 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 44 SER HA 1 45 CYS H 3.000 . 3.000 2.976 2.670 3.121 0.121 24 0 "[ . 1 . 2 . 3]" 1
192 1 7 THR MG 1 44 SER QB 5.000 . 5.000 2.191 1.820 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 44 SER QB 1 45 CYS H 3.000 . 4.000 1.776 1.698 1.901 0.102 22 0 "[ . 1 . 2 . 3]" 1
194 1 43 HIS HD2 1 44 SER H 5.000 . 5.000 3.856 3.606 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 36 SER H 1 45 CYS HA 5.000 . 5.000 3.177 2.693 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 45 CYS HA 1 46 ASP H 3.000 . 3.000 2.441 2.136 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 46 ASP HA 1 48 LYS H 3.000 . 3.000 3.051 3.013 3.115 0.115 27 0 "[ . 1 . 2 . 3]" 1
198 1 34 THR H 1 46 ASP QB 5.000 . 6.000 4.136 3.688 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 46 ASP QB 1 47 CYS H 5.000 . 6.000 3.915 3.767 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 36 SER QB 1 46 ASP QB 5.000 . 7.000 2.154 1.817 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 34 THR H 1 47 CYS HA 5.000 . 5.000 3.894 3.115 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 47 CYS H 1 47 CYS HA 3.000 . 3.000 2.802 2.738 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 47 CYS QB 1 48 LYS H 5.000 . 6.000 2.979 2.686 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 47 CYS QB 1 49 SER H 5.000 . 6.000 6.062 5.996 6.140 0.140 30 0 "[ . 1 . 2 . 3]" 1
205 1 6 CYS QB 1 47 CYS QB 3.000 . 5.000 3.229 2.255 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 48 LYS HA 1 49 SER QB 3.000 . 4.000 4.054 4.024 4.141 0.141 26 0 "[ . 1 . 2 . 3]" 1
207 1 48 LYS HA 1 49 SER H 5.000 . 5.000 2.188 2.110 2.567 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 6 CYS H 1 48 LYS HA 5.000 . 5.000 4.928 4.207 5.136 0.136 12 0 "[ . 1 . 2 . 3]" 1
209 1 48 LYS QB 1 49 SER H 5.000 . 6.000 3.389 2.508 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 6 CYS H 1 48 LYS QB 5.000 . 6.000 2.440 1.857 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 47 CYS HA 1 48 LYS H 5.000 . 5.000 3.418 3.378 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 48 LYS H 1 49 SER H 5.000 . 5.000 4.311 4.149 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 6 CYS HA 1 47 CYS H 5.000 . 5.000 2.462 1.953 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 6 CYS QB 1 47 CYS H 5.000 . 5.000 2.310 1.906 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 6 CYS H 1 47 CYS H 5.000 . 5.000 4.384 3.933 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 40 MET QB 1 42 THR MG 5.000 . 5.000 4.870 4.598 5.092 0.092 26 0 "[ . 1 . 2 . 3]" 1
217 1 45 CYS QB 1 47 CYS H 5.000 . 5.000 3.028 2.590 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 30 ARG HA 1 33 CYS QB 5.000 . 5.000 3.999 1.797 4.821 0.003 30 0 "[ . 1 . 2 . 3]" 1
219 1 23 LYS HG2 1 44 SER QB 5.000 . 5.000 5.185 5.102 5.253 0.253 24 0 "[ . 1 . 2 . 3]" 1
220 1 14 GLY QA 1 15 LYS H 5.000 . 5.600 2.633 2.487 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 49 SER HA 1 50 CYS H 5.000 . 5.600 2.311 2.193 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 4 LYS H 1 5 ARG QB 5.000 . 5.600 5.036 3.831 5.618 0.018 19 0 "[ . 1 . 2 . 3]" 1
223 1 4 LYS H 1 5 ARG QG 5.000 . 5.600 5.408 4.593 5.693 0.093 3 0 "[ . 1 . 2 . 3]" 1
224 1 4 LYS QB 1 5 ARG H 5.000 . 5.600 2.453 1.724 3.814 0.076 28 0 "[ . 1 . 2 . 3]" 1
225 1 4 LYS QG 1 5 ARG H 5.000 . 5.600 3.746 1.890 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 12 LYS QD 1 23 LYS QG 5.000 . 5.600 3.375 2.816 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 10 PHE HA 1 44 SER QB 5.000 . 5.600 2.030 1.780 2.572 0.020 25 0 "[ . 1 . 2 . 3]" 1
228 1 4 LYS QG 1 30 ARG QG 5.000 . 5.600 2.308 1.796 2.864 0.004 21 0 "[ . 1 . 2 . 3]" 1
229 1 4 LYS QB 1 30 ARG QG 5.000 . 5.600 2.462 1.836 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 11 ARG QB 1 23 LYS QD 5.000 . 5.600 5.381 2.596 5.625 0.025 14 0 "[ . 1 . 2 . 3]" 1
231 1 11 ARG QD 1 23 LYS QD 5.000 . 5.600 3.259 2.931 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 5 ARG QG 1 8 ARG QD 5.000 . 5.600 5.452 4.642 5.652 0.052 3 0 "[ . 1 . 2 . 3]" 1
233 1 11 ARG QG 1 27 LEU QD 5.000 . 5.600 5.622 5.287 5.705 0.105 25 0 "[ . 1 . 2 . 3]" 1
234 1 7 THR MG 1 9 GLY H 5.000 . 5.600 3.977 1.919 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 7 THR MG 1 10 PHE HA 5.000 . 5.600 3.022 2.420 3.592 . 0 0 "[ . 1 . 2 . 3]" 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 20
_Distance_constraint_stats_list.Viol_count 32
_Distance_constraint_stats_list.Viol_total 60.123
_Distance_constraint_stats_list.Viol_max 0.112
_Distance_constraint_stats_list.Viol_rms 0.0151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0626
_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 24 CYS 0.299 0.104 27 0 "[ . 1 . 2 . 3]"
1 27 LEU 1.705 0.112 15 0 "[ . 1 . 2 . 3]"
1 28 TYR 2.004 0.112 15 0 "[ . 1 . 2 . 3]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 CYS HA 1 28 TYR QD 5.000 . 5.000 2.402 1.696 3.360 0.104 27 0 "[ . 1 . 2 . 3]" 2
2 1 27 LEU QB 1 28 TYR QD 5.000 . 6.000 2.524 2.253 2.936 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 27 LEU MD1 1 28 TYR QD 5.000 . 7.400 4.499 2.574 4.827 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 27 LEU MD2 1 28 TYR QD 5.000 . 7.400 4.226 3.685 4.777 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 27 LEU HG 1 28 TYR QD 5.000 . 5.000 4.836 4.517 5.069 0.069 8 0 "[ . 1 . 2 . 3]" 2
6 1 27 LEU H 1 28 TYR QD 5.000 . 5.000 4.328 4.064 4.442 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 28 TYR HA 1 28 TYR QD 3.000 . 5.000 2.689 2.434 3.027 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 28 TYR H 1 28 TYR QD 5.000 . 5.000 2.876 2.616 3.067 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 28 TYR QD 1 29 PRO QD 5.000 . 6.000 3.982 3.756 4.173 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 28 TYR QD 1 33 CYS QB 5.000 . 6.000 3.871 3.263 4.091 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 24 CYS HA 1 28 TYR QE 5.000 . 5.000 2.867 2.027 3.643 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 27 LEU HB2 1 28 TYR QE 5.000 . 6.000 3.034 2.376 3.430 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 27 LEU MD1 1 28 TYR QE 5.000 . 7.400 3.859 1.952 4.279 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 27 LEU MD2 1 28 TYR QE 5.000 . 7.400 3.379 2.313 4.568 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 27 LEU HG 1 28 TYR QE 5.000 . 5.000 4.251 3.398 4.752 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 27 LEU H 1 28 TYR QE 5.000 . 5.000 5.031 4.867 5.112 0.112 15 0 "[ . 1 . 2 . 3]" 2
17 1 28 TYR HA 1 28 TYR QE 3.000 . 5.000 4.838 4.747 4.925 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 28 TYR QB 1 28 TYR QE 3.000 . 4.000 3.955 3.930 3.975 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 28 TYR QE 1 29 PRO QD 5.000 . 6.000 5.843 5.638 5.949 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 28 TYR QE 1 29 PRO HD3 5.000 . 6.000 5.710 5.369 5.865 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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