NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392704 |
1q3z   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q3z
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 280
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 1.095
_Distance_constraint_stats_list.Viol_max 0.171
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0421
_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 2 VAL 0.000 0.000 . 0 "[ ]"
1 3 LYS 0.000 0.000 . 0 "[ ]"
1 4 CYS 0.099 0.064 1 0 "[ ]"
1 5 PHE 0.000 0.000 . 0 "[ ]"
1 6 ASN 0.006 0.006 1 0 "[ ]"
1 7 CYS 0.006 0.006 1 0 "[ ]"
1 8 GLY 0.064 0.064 1 0 "[ ]"
1 9 LYS 0.072 0.059 1 0 "[ ]"
1 10 GLU 0.000 0.000 . 0 "[ ]"
1 11 GLY 0.053 0.053 1 0 "[ ]"
1 12 HIS 0.229 0.068 1 0 "[ ]"
1 13 THR 0.000 0.000 . 0 "[ ]"
1 14 ALA 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.008 0.008 1 0 "[ ]"
1 16 ASN 0.000 0.000 . 0 "[ ]"
1 17 HIS 0.079 0.068 1 0 "[ ]"
1 18 ARG 0.011 0.011 1 0 "[ ]"
1 19 ALA 0.000 0.000 . 0 "[ ]"
1 21 ARG 0.000 0.000 . 0 "[ ]"
1 22 LYS 0.000 0.000 . 0 "[ ]"
1 24 GLY 0.165 0.100 1 0 "[ ]"
1 25 CYS 0.231 0.124 1 0 "[ ]"
1 26 TRP 0.139 0.124 1 0 "[ ]"
1 27 LYS 0.012 0.012 1 0 "[ ]"
1 28 CYS 0.014 0.014 1 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 30 LYS 0.065 0.057 1 0 "[ ]"
1 31 GLU 0.166 0.065 1 0 "[ ]"
1 32 GLY 0.044 0.026 1 0 "[ ]"
1 33 HIS 0.014 0.008 1 0 "[ ]"
1 34 GLN 0.307 0.171 1 0 "[ ]"
1 35 MET 0.326 0.171 1 0 "[ ]"
1 36 LYS 0.007 0.007 1 0 "[ ]"
1 37 ASP 0.008 0.008 1 0 "[ ]"
1 38 CYS 0.006 0.006 1 0 "[ ]"
1 39 THR 0.000 0.000 . 0 "[ ]"
1 40 GLU 0.033 0.019 1 0 "[ ]"
1 41 ARG 0.019 0.019 1 0 "[ ]"
1 42 GLN 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL HA 1 2 VAL MG1 3.500 . 4.200 2.483 2.483 2.483 . 0 0 "[ ]" 1
2 1 2 VAL HA 1 2 VAL MG2 3.500 . 4.200 2.083 2.083 2.083 . 0 0 "[ ]" 1
3 1 2 VAL QG 1 3 LYS H 3.500 . 4.200 2.575 2.575 2.575 . 0 0 "[ ]" 1
4 1 3 LYS H 1 3 LYS HB3 3.500 . 4.200 2.366 2.366 2.366 . 0 0 "[ ]" 1
5 1 3 LYS H 1 3 LYS HB2 3.500 . 4.200 2.546 2.546 2.546 . 0 0 "[ ]" 1
6 1 3 LYS H 1 3 LYS HG3 5.000 . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 1
7 1 3 LYS H 1 3 LYS HG2 5.000 . 6.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
8 1 3 LYS H 1 5 PHE H 5.000 . 6.000 5.487 5.487 5.487 . 0 0 "[ ]" 1
9 1 3 LYS HA 1 4 CYS H 3.500 . 4.200 2.211 2.211 2.211 . 0 0 "[ ]" 1
10 1 3 LYS HA 1 5 PHE H 5.000 . 6.000 5.104 5.104 5.104 . 0 0 "[ ]" 1
11 1 4 CYS H 1 4 CYS HB3 3.500 . 4.200 2.628 2.628 2.628 . 0 0 "[ ]" 1
12 1 4 CYS H 1 4 CYS HB2 3.500 . 4.200 3.548 3.548 3.548 . 0 0 "[ ]" 1
13 1 4 CYS HA 1 5 PHE H 3.500 . 4.200 2.345 2.345 2.345 . 0 0 "[ ]" 1
14 1 4 CYS HB3 1 8 GLY H 3.500 . 4.200 4.264 4.264 4.264 0.064 1 0 "[ ]" 1
15 1 4 CYS HB3 1 8 GLY HA2 5.000 . 6.000 5.544 5.544 5.544 . 0 0 "[ ]" 1
16 1 4 CYS HB3 1 9 LYS H 5.000 . 6.000 4.464 4.464 4.464 . 0 0 "[ ]" 1
17 1 4 CYS HB2 1 9 LYS H 5.000 . 6.000 5.312 5.312 5.312 . 0 0 "[ ]" 1
18 1 4 CYS HB3 1 12 HIS HD2 5.000 . 6.000 6.035 6.035 6.035 0.035 1 0 "[ ]" 1
19 1 4 CYS HB2 1 12 HIS HD2 5.000 . 6.000 5.652 5.652 5.652 . 0 0 "[ ]" 1
20 1 5 PHE H 1 5 PHE HB3 3.500 . 4.200 3.837 3.837 3.837 . 0 0 "[ ]" 1
21 1 5 PHE H 1 5 PHE HB2 3.500 . 4.200 3.122 3.122 3.122 . 0 0 "[ ]" 1
22 1 5 PHE H 1 6 ASN H 3.500 . 4.200 3.627 3.627 3.627 . 0 0 "[ ]" 1
23 1 5 PHE H 1 14 ALA MB 3.500 . 4.200 1.977 1.977 1.977 . 0 0 "[ ]" 1
24 1 5 PHE HA 1 6 ASN H 5.000 . 6.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
25 1 5 PHE HB3 1 6 ASN H 5.000 . 6.000 2.246 2.246 2.246 . 0 0 "[ ]" 1
26 1 5 PHE HB2 1 6 ASN H 5.000 . 6.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
27 1 5 PHE QD 1 14 ALA MB 5.000 . 6.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
28 1 6 ASN H 1 6 ASN HB3 3.500 . 4.200 3.586 3.586 3.586 . 0 0 "[ ]" 1
29 1 6 ASN H 1 6 ASN HB2 3.500 . 4.200 2.725 2.725 2.725 . 0 0 "[ ]" 1
30 1 6 ASN H 1 7 CYS H 2.500 . 3.000 1.994 1.994 1.994 0.006 1 0 "[ ]" 1
31 1 6 ASN H 1 14 ALA MB 5.000 . 6.000 5.016 5.016 5.016 . 0 0 "[ ]" 1
32 1 7 CYS H 1 8 GLY H 5.000 . 6.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
33 1 7 CYS HA 1 17 HIS HE1 5.000 . 6.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
34 1 7 CYS HB3 1 17 HIS HE1 3.500 . 4.200 3.453 3.453 3.453 . 0 0 "[ ]" 1
35 1 7 CYS HB2 1 17 HIS HE1 5.000 . 6.000 2.413 2.413 2.413 . 0 0 "[ ]" 1
36 1 8 GLY H 1 8 GLY HA3 2.500 . 3.000 2.970 2.970 2.970 . 0 0 "[ ]" 1
37 1 8 GLY H 1 8 GLY HA2 2.500 . 3.000 2.653 2.653 2.653 . 0 0 "[ ]" 1
38 1 8 GLY H 1 9 LYS H 3.500 . 4.200 2.217 2.217 2.217 . 0 0 "[ ]" 1
39 1 8 GLY HA3 1 9 LYS H 3.500 . 4.200 3.035 3.035 3.035 . 0 0 "[ ]" 1
40 1 8 GLY HA2 1 9 LYS H 3.500 . 4.200 3.517 3.517 3.517 . 0 0 "[ ]" 1
41 1 9 LYS H 1 9 LYS QD 5.000 . 6.000 4.601 4.601 4.601 . 0 0 "[ ]" 1
42 1 9 LYS HB3 1 12 HIS HE1 3.500 . 4.200 4.259 4.259 4.259 0.059 1 0 "[ ]" 1
43 1 9 LYS HB2 1 12 HIS HE1 3.500 . 4.200 4.213 4.213 4.213 0.013 1 0 "[ ]" 1
44 1 9 LYS HA 1 9 LYS QG 3.500 . 4.200 2.396 2.396 2.396 . 0 0 "[ ]" 1
45 1 9 LYS HA 1 10 GLU H 3.500 . 4.200 2.268 2.268 2.268 . 0 0 "[ ]" 1
46 1 10 GLU H 1 10 GLU HB3 3.500 . 4.200 3.246 3.246 3.246 . 0 0 "[ ]" 1
47 1 10 GLU H 1 10 GLU HB2 3.500 . 4.200 1.996 1.996 1.996 . 0 0 "[ ]" 1
48 1 10 GLU H 1 10 GLU QG 3.500 . 4.200 3.745 3.745 3.745 . 0 0 "[ ]" 1
49 1 10 GLU HA 1 11 GLY H 3.500 . 4.200 3.529 3.529 3.529 . 0 0 "[ ]" 1
50 1 10 GLU HA 1 12 HIS H 5.000 . 6.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
51 1 10 GLU HB3 1 11 GLY H 5.000 . 6.000 3.252 3.252 3.252 . 0 0 "[ ]" 1
52 1 10 GLU HB2 1 11 GLY H 5.000 . 6.000 3.215 3.215 3.215 . 0 0 "[ ]" 1
53 1 10 GLU QG 1 11 GLY H 5.000 . 6.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
54 1 11 GLY H 1 11 GLY HA3 2.500 . 3.000 2.444 2.444 2.444 . 0 0 "[ ]" 1
55 1 11 GLY H 1 11 GLY HA2 2.500 . 3.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
56 1 11 GLY H 1 12 HIS H 2.500 . 3.000 3.053 3.053 3.053 0.053 1 0 "[ ]" 1
57 1 11 GLY HA3 1 12 HIS H 5.000 . 6.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
58 1 11 GLY HA2 1 12 HIS H 5.000 . 6.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
59 1 12 HIS H 1 13 THR H 3.500 . 4.200 2.463 2.463 2.463 . 0 0 "[ ]" 1
60 1 12 HIS H 1 14 ALA MB 5.000 . 6.000 5.046 5.046 5.046 . 0 0 "[ ]" 1
61 1 12 HIS HA 1 13 THR H 3.500 . 4.200 3.090 3.090 3.090 . 0 0 "[ ]" 1
62 1 12 HIS HB3 1 12 HIS HD2 3.500 . 4.200 3.652 3.652 3.652 . 0 0 "[ ]" 1
63 1 12 HIS HB2 1 12 HIS HD2 3.500 . 4.200 3.818 3.818 3.818 . 0 0 "[ ]" 1
64 1 12 HIS HD2 1 17 HIS HA 5.000 . 6.000 4.347 4.347 4.347 . 0 0 "[ ]" 1
65 1 12 HIS HD2 1 17 HIS HB3 5.000 . 6.000 6.068 6.068 6.068 0.068 1 0 "[ ]" 1
66 1 13 THR H 1 13 THR MG 3.500 . 4.200 2.386 2.386 2.386 . 0 0 "[ ]" 1
67 1 13 THR H 1 14 ALA H 3.500 . 4.200 3.663 3.663 3.663 . 0 0 "[ ]" 1
68 1 13 THR HA 1 14 ALA H 3.500 . 4.200 2.240 2.240 2.240 . 0 0 "[ ]" 1
69 1 14 ALA H 1 15 ARG H 3.500 . 4.200 3.635 3.635 3.635 . 0 0 "[ ]" 1
70 1 14 ALA HA 1 15 ARG H 5.000 . 6.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
71 1 14 ALA HA 1 17 HIS H 5.000 . 6.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
72 1 15 ARG H 1 15 ARG HB3 3.500 . 4.200 3.730 3.730 3.730 . 0 0 "[ ]" 1
73 1 15 ARG H 1 15 ARG HB2 3.500 . 4.200 2.640 2.640 2.640 . 0 0 "[ ]" 1
74 1 15 ARG H 1 15 ARG QG 3.500 . 4.200 3.767 3.767 3.767 . 0 0 "[ ]" 1
75 1 15 ARG H 1 16 ASN H 2.500 . 3.000 2.131 2.131 2.131 . 0 0 "[ ]" 1
76 1 15 ARG HA 1 15 ARG HB3 2.500 . 3.000 2.651 2.651 2.651 . 0 0 "[ ]" 1
77 1 15 ARG HA 1 15 ARG HB2 2.500 . 3.000 3.008 3.008 3.008 0.008 1 0 "[ ]" 1
78 1 15 ARG HA 1 15 ARG QG 3.500 . 4.200 2.066 2.066 2.066 . 0 0 "[ ]" 1
79 1 16 ASN H 1 16 ASN QB 3.500 . 4.200 3.031 3.031 3.031 . 0 0 "[ ]" 1
80 1 16 ASN H 1 17 HIS H 3.500 . 4.200 2.015 2.015 2.015 . 0 0 "[ ]" 1
81 1 16 ASN HA 1 17 HIS H 5.000 . 6.000 3.302 3.302 3.302 . 0 0 "[ ]" 1
82 1 17 HIS H 1 17 HIS HB3 3.500 . 4.200 3.787 3.787 3.787 . 0 0 "[ ]" 1
83 1 17 HIS H 1 17 HIS HB2 3.500 . 4.200 2.902 2.902 2.902 . 0 0 "[ ]" 1
84 1 17 HIS HA 1 18 ARG H 3.500 . 4.200 2.606 2.606 2.606 . 0 0 "[ ]" 1
85 1 17 HIS HB3 1 17 HIS HD2 3.500 . 4.200 3.944 3.944 3.944 . 0 0 "[ ]" 1
86 1 17 HIS HB2 1 17 HIS HD2 3.500 . 4.200 3.379 3.379 3.379 . 0 0 "[ ]" 1
87 1 17 HIS HD2 1 18 ARG HA 5.000 . 6.000 6.011 6.011 6.011 0.011 1 0 "[ ]" 1
88 1 18 ARG H 1 18 ARG QB 3.500 . 4.200 2.479 2.479 2.479 . 0 0 "[ ]" 1
89 1 18 ARG H 1 18 ARG QG 3.500 . 4.200 3.760 3.760 3.760 . 0 0 "[ ]" 1
90 1 18 ARG HA 1 18 ARG QG 3.500 . 4.200 2.024 2.024 2.024 . 0 0 "[ ]" 1
91 1 18 ARG HA 1 19 ALA H 2.500 . 3.000 2.813 2.813 2.813 . 0 0 "[ ]" 1
92 1 21 ARG HG2 1 26 TRP HD1 5.000 . 6.000 5.037 5.037 5.037 . 0 0 "[ ]" 1
93 1 22 LYS HB2 1 26 TRP HD1 5.000 . 6.000 1.941 1.941 1.941 . 0 0 "[ ]" 1
94 1 22 LYS HG2 1 26 TRP HD1 5.000 . 6.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
95 1 22 LYS HE2 1 26 TRP HD1 5.000 . 6.000 5.145 5.145 5.145 . 0 0 "[ ]" 1
96 1 24 GLY HA3 1 25 CYS H 2.500 . 3.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
97 1 24 GLY HA3 1 31 GLU HA 3.500 . 4.200 4.265 4.265 4.265 0.065 1 0 "[ ]" 1
98 1 24 GLY HA3 1 31 GLU HG3 5.000 . 6.000 5.974 5.974 5.974 . 0 0 "[ ]" 1
99 1 24 GLY HA3 1 31 GLU HG2 5.000 . 6.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
100 1 24 GLY HA2 1 25 CYS H 2.500 . 3.000 3.100 3.100 3.100 0.100 1 0 "[ ]" 1
101 1 24 GLY HA2 1 31 GLU HA 3.500 . 4.200 2.734 2.734 2.734 . 0 0 "[ ]" 1
102 1 24 GLY HA2 1 31 GLU HG3 5.000 . 6.000 5.254 5.254 5.254 . 0 0 "[ ]" 1
103 1 24 GLY HA2 1 31 GLU HG2 5.000 . 6.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
104 1 25 CYS H 1 26 TRP H 4.500 . 5.400 2.675 2.675 2.675 . 0 0 "[ ]" 1
105 1 25 CYS H 1 31 GLU HA 4.500 . 5.400 5.098 5.098 5.098 . 0 0 "[ ]" 1
106 1 25 CYS HA 1 26 TRP H 2.500 . 3.000 3.124 3.124 3.124 0.124 1 0 "[ ]" 1
107 1 25 CYS HA 1 27 LYS H 4.500 . 5.400 4.355 4.355 4.355 . 0 0 "[ ]" 1
108 1 25 CYS HA 1 34 GLN HA 3.500 . 4.200 2.593 2.593 2.593 . 0 0 "[ ]" 1
109 1 25 CYS HA 1 35 MET H 3.500 . 4.200 3.101 3.101 3.101 . 0 0 "[ ]" 1
110 1 25 CYS HB3 1 26 TRP H 4.500 . 5.400 4.461 4.461 4.461 . 0 0 "[ ]" 1
111 1 25 CYS HB3 1 27 LYS H 4.500 . 5.400 4.002 4.002 4.002 . 0 0 "[ ]" 1
112 1 25 CYS HB3 1 28 CYS H 3.500 . 4.200 3.266 3.266 3.266 . 0 0 "[ ]" 1
113 1 25 CYS HB3 1 29 GLY H 3.500 . 4.200 4.099 4.099 4.099 . 0 0 "[ ]" 1
114 1 25 CYS HB3 1 30 LYS H 3.500 . 4.200 4.208 4.208 4.208 0.008 1 0 "[ ]" 1
115 1 25 CYS HB3 1 33 HIS HD2 3.500 . 4.200 3.141 3.141 3.141 . 0 0 "[ ]" 1
116 1 25 CYS HB2 1 26 TRP H 4.500 . 5.400 3.828 3.828 3.828 . 0 0 "[ ]" 1
117 1 25 CYS HB2 1 27 LYS H 4.500 . 5.400 2.933 2.933 2.933 . 0 0 "[ ]" 1
118 1 25 CYS HB2 1 28 CYS H 3.500 . 4.200 2.033 2.033 2.033 . 0 0 "[ ]" 1
119 1 25 CYS HB2 1 29 GLY H 3.500 . 4.200 2.342 2.342 2.342 . 0 0 "[ ]" 1
120 1 25 CYS HB2 1 30 LYS H 3.500 . 4.200 2.825 2.825 2.825 . 0 0 "[ ]" 1
121 1 25 CYS HB2 1 33 HIS HD2 3.500 . 4.200 4.050 4.050 4.050 . 0 0 "[ ]" 1
122 1 26 TRP H 1 27 LYS H 3.500 . 4.200 2.851 2.851 2.851 . 0 0 "[ ]" 1
123 1 26 TRP H 1 35 MET HB3 4.500 . 5.400 4.042 4.042 4.042 . 0 0 "[ ]" 1
124 1 26 TRP H 1 35 MET HB2 4.500 . 5.400 4.951 4.951 4.951 . 0 0 "[ ]" 1
125 1 26 TRP HA 1 26 TRP HD1 3.500 . 4.200 2.538 2.538 2.538 . 0 0 "[ ]" 1
126 1 26 TRP HA 1 26 TRP HE3 4.500 . 5.400 4.837 4.837 4.837 . 0 0 "[ ]" 1
127 1 26 TRP HB3 1 27 LYS H 4.500 . 5.400 3.869 3.869 3.869 . 0 0 "[ ]" 1
128 1 26 TRP HB3 1 35 MET HB3 5.000 . 6.000 2.474 2.474 2.474 . 0 0 "[ ]" 1
129 1 26 TRP HB3 1 35 MET HB2 5.000 . 6.000 2.024 2.024 2.024 . 0 0 "[ ]" 1
130 1 26 TRP HB3 1 35 MET HG3 5.000 . 6.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
131 1 26 TRP HB3 1 35 MET HG2 5.000 . 6.000 4.732 4.732 4.732 . 0 0 "[ ]" 1
132 1 26 TRP HB2 1 27 LYS H 4.500 . 5.400 4.463 4.463 4.463 . 0 0 "[ ]" 1
133 1 26 TRP HB2 1 35 MET HB3 5.000 . 6.000 2.247 2.247 2.247 . 0 0 "[ ]" 1
134 1 26 TRP HB2 1 35 MET HB2 5.000 . 6.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
135 1 26 TRP HB2 1 35 MET HG3 5.000 . 6.000 4.734 4.734 4.734 . 0 0 "[ ]" 1
136 1 26 TRP HB2 1 35 MET HG2 5.000 . 6.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
137 1 26 TRP HD1 1 35 MET HB3 4.500 . 5.400 5.015 5.015 5.015 . 0 0 "[ ]" 1
138 1 26 TRP HD1 1 35 MET HB2 4.500 . 5.400 5.414 5.414 5.414 0.014 1 0 "[ ]" 1
139 1 26 TRP HE3 1 27 LYS HA 4.500 . 5.400 5.401 5.401 5.401 0.001 1 0 "[ ]" 1
140 1 26 TRP HE3 1 27 LYS HG3 5.000 . 6.000 5.905 5.905 5.905 . 0 0 "[ ]" 1
141 1 26 TRP HE3 1 27 LYS HG2 5.000 . 6.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
142 1 26 TRP HE3 1 35 MET ME 5.000 . 6.000 2.606 2.606 2.606 . 0 0 "[ ]" 1
143 1 27 LYS H 1 27 LYS HG3 4.500 . 5.400 3.611 3.611 3.611 . 0 0 "[ ]" 1
144 1 27 LYS H 1 27 LYS HG2 4.500 . 5.400 2.635 2.635 2.635 . 0 0 "[ ]" 1
145 1 27 LYS H 1 28 CYS H 3.500 . 4.200 2.010 2.010 2.010 . 0 0 "[ ]" 1
146 1 27 LYS H 1 29 GLY H 3.500 . 4.200 2.684 2.684 2.684 . 0 0 "[ ]" 1
147 1 27 LYS H 1 35 MET HB3 4.500 . 5.400 5.400 5.400 5.400 . 0 0 "[ ]" 1
148 1 27 LYS H 1 35 MET HB2 4.500 . 5.400 5.412 5.412 5.412 0.012 1 0 "[ ]" 1
149 1 27 LYS HB3 1 28 CYS H 3.500 . 4.200 3.827 3.827 3.827 . 0 0 "[ ]" 1
150 1 27 LYS HB2 1 28 CYS H 3.500 . 4.200 3.815 3.815 3.815 . 0 0 "[ ]" 1
151 1 27 LYS HB3 1 35 MET HB3 6.500 . 7.800 5.842 5.842 5.842 . 0 0 "[ ]" 1
152 1 27 LYS HB2 1 35 MET HB2 6.500 . 7.800 6.421 6.421 6.421 . 0 0 "[ ]" 1
153 1 27 LYS HG3 1 28 CYS H 4.500 . 5.400 2.294 2.294 2.294 . 0 0 "[ ]" 1
154 1 27 LYS HG2 1 28 CYS H 4.500 . 5.400 2.096 2.096 2.096 . 0 0 "[ ]" 1
155 1 27 LYS HG3 1 28 CYS HA 5.000 . 6.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
156 1 27 LYS HG2 1 28 CYS HA 5.000 . 6.000 4.600 4.600 4.600 . 0 0 "[ ]" 1
157 1 27 LYS HG3 1 28 CYS HB3 6.500 . 7.800 3.115 3.115 3.115 . 0 0 "[ ]" 1
158 1 27 LYS HG2 1 28 CYS HB3 6.500 . 7.800 3.371 3.371 3.371 . 0 0 "[ ]" 1
159 1 27 LYS HG3 1 28 CYS HB2 6.500 . 7.800 2.929 2.929 2.929 . 0 0 "[ ]" 1
160 1 27 LYS HG2 1 28 CYS HB2 6.500 . 7.800 4.022 4.022 4.022 . 0 0 "[ ]" 1
161 1 28 CYS H 1 29 GLY H 2.500 . 3.000 2.214 2.214 2.214 . 0 0 "[ ]" 1
162 1 28 CYS HB3 1 29 GLY H 4.500 . 5.400 2.842 2.842 2.842 . 0 0 "[ ]" 1
163 1 28 CYS HB3 1 40 GLU HB3 4.500 . 5.400 5.414 5.414 5.414 0.014 1 0 "[ ]" 1
164 1 28 CYS HB3 1 40 GLU HB2 4.500 . 5.400 4.206 4.206 4.206 . 0 0 "[ ]" 1
165 1 28 CYS HB2 1 29 GLY H 4.500 . 5.400 4.123 4.123 4.123 . 0 0 "[ ]" 1
166 1 28 CYS HB2 1 40 GLU HB3 4.500 . 5.400 4.046 4.046 4.046 . 0 0 "[ ]" 1
167 1 28 CYS HB2 1 40 GLU HB2 4.500 . 5.400 2.991 2.991 2.991 . 0 0 "[ ]" 1
168 1 29 GLY H 1 30 LYS H 3.500 . 4.200 2.318 2.318 2.318 . 0 0 "[ ]" 1
169 1 29 GLY HA3 1 30 LYS H 3.500 . 4.200 3.501 3.501 3.501 . 0 0 "[ ]" 1
170 1 29 GLY HA2 1 30 LYS H 3.500 . 4.200 3.032 3.032 3.032 . 0 0 "[ ]" 1
171 1 30 LYS H 1 30 LYS HG3 4.500 . 5.400 4.324 4.324 4.324 . 0 0 "[ ]" 1
172 1 30 LYS H 1 30 LYS HG2 4.500 . 5.400 3.986 3.986 3.986 . 0 0 "[ ]" 1
173 1 30 LYS HA 1 31 GLU H 3.500 . 4.200 2.322 2.322 2.322 . 0 0 "[ ]" 1
174 1 30 LYS HB3 1 31 GLU H 3.500 . 4.200 3.190 3.190 3.190 . 0 0 "[ ]" 1
175 1 30 LYS HB3 1 33 HIS HE1 3.500 . 4.200 3.164 3.164 3.164 . 0 0 "[ ]" 1
176 1 30 LYS HB2 1 31 GLU H 3.500 . 4.200 4.257 4.257 4.257 0.057 1 0 "[ ]" 1
177 1 30 LYS HB2 1 33 HIS HE1 3.500 . 4.200 3.839 3.839 3.839 . 0 0 "[ ]" 1
178 1 30 LYS HG3 1 31 GLU H 4.500 . 5.400 4.532 4.532 4.532 . 0 0 "[ ]" 1
179 1 30 LYS HG3 1 33 HIS HE1 4.500 . 5.400 2.741 2.741 2.741 . 0 0 "[ ]" 1
180 1 30 LYS HG2 1 31 GLU H 4.500 . 5.400 3.499 3.499 3.499 . 0 0 "[ ]" 1
181 1 30 LYS HG2 1 33 HIS HE1 4.500 . 5.400 4.187 4.187 4.187 . 0 0 "[ ]" 1
182 1 30 LYS HD2 1 33 HIS HE1 4.500 . 5.400 2.308 2.308 2.308 . 0 0 "[ ]" 1
183 1 30 LYS HD3 1 33 HIS HE1 5.380 . 6.460 2.822 2.822 2.822 . 0 0 "[ ]" 1
184 1 31 GLU H 1 31 GLU HG3 3.500 . 4.200 2.710 2.710 2.710 . 0 0 "[ ]" 1
185 1 31 GLU H 1 31 GLU HG2 3.500 . 4.200 2.454 2.454 2.454 . 0 0 "[ ]" 1
186 1 31 GLU H 1 32 GLY H 3.500 . 4.200 2.118 2.118 2.118 . 0 0 "[ ]" 1
187 1 31 GLU HA 1 32 GLY H 3.500 . 4.200 3.520 3.520 3.520 . 0 0 "[ ]" 1
188 1 31 GLU HA 1 33 HIS H 4.500 . 5.400 4.149 4.149 4.149 . 0 0 "[ ]" 1
189 1 31 GLU HB3 1 32 GLY H 4.500 . 5.400 4.040 4.040 4.040 . 0 0 "[ ]" 1
190 1 31 GLU HB2 1 32 GLY H 4.500 . 5.400 2.836 2.836 2.836 . 0 0 "[ ]" 1
191 1 31 GLU HG3 1 32 GLY H 3.500 . 4.200 4.226 4.226 4.226 0.026 1 0 "[ ]" 1
192 1 31 GLU HG2 1 32 GLY H 3.500 . 4.200 4.218 4.218 4.218 0.018 1 0 "[ ]" 1
193 1 32 GLY H 1 33 HIS H 3.500 . 4.200 2.858 2.858 2.858 . 0 0 "[ ]" 1
194 1 32 GLY HA3 1 33 HIS H 3.500 . 4.200 2.819 2.819 2.819 . 0 0 "[ ]" 1
195 1 32 GLY HA2 1 33 HIS H 3.500 . 4.200 3.563 3.563 3.563 . 0 0 "[ ]" 1
196 1 33 HIS H 1 34 GLN H 4.500 . 5.400 4.478 4.478 4.478 . 0 0 "[ ]" 1
197 1 33 HIS HB3 1 34 GLN H 3.500 . 4.200 3.544 3.544 3.544 . 0 0 "[ ]" 1
198 1 33 HIS HB2 1 34 GLN H 3.500 . 4.200 2.331 2.331 2.331 . 0 0 "[ ]" 1
199 1 33 HIS HD2 1 34 GLN H 4.500 . 5.400 4.258 4.258 4.258 . 0 0 "[ ]" 1
200 1 33 HIS HD2 1 37 ASP HB3 4.500 . 5.400 5.408 5.408 5.408 0.008 1 0 "[ ]" 1
201 1 33 HIS HD2 1 37 ASP HB2 4.500 . 5.400 4.315 4.315 4.315 . 0 0 "[ ]" 1
202 1 33 HIS HD2 1 38 CYS HA 3.500 . 4.200 3.040 3.040 3.040 . 0 0 "[ ]" 1
203 1 33 HIS HD2 1 38 CYS HB3 3.800 . 4.560 3.544 3.544 3.544 . 0 0 "[ ]" 1
204 1 33 HIS HD2 1 38 CYS HB2 3.500 . 4.200 1.794 1.794 1.794 0.006 1 0 "[ ]" 1
205 1 34 GLN H 1 34 GLN HG3 3.500 . 4.200 1.973 1.973 1.973 . 0 0 "[ ]" 1
206 1 34 GLN H 1 34 GLN HG2 3.500 . 4.200 3.006 3.006 3.006 . 0 0 "[ ]" 1
207 1 34 GLN H 1 37 ASP HB3 3.500 . 4.200 3.679 3.679 3.679 . 0 0 "[ ]" 1
208 1 34 GLN H 1 37 ASP HB2 3.500 . 4.200 2.002 2.002 2.002 . 0 0 "[ ]" 1
209 1 34 GLN HA 1 35 MET H 3.500 . 4.200 2.888 2.888 2.888 . 0 0 "[ ]" 1
210 1 34 GLN HB3 1 35 MET H 3.500 . 4.200 2.106 2.106 2.106 . 0 0 "[ ]" 1
211 1 34 GLN HB3 1 36 LYS H 4.500 . 5.400 3.634 3.634 3.634 . 0 0 "[ ]" 1
212 1 34 GLN HB2 1 35 MET H 3.500 . 4.200 2.222 2.222 2.222 . 0 0 "[ ]" 1
213 1 34 GLN HB2 1 36 LYS H 5.000 . 6.000 2.409 2.409 2.409 . 0 0 "[ ]" 1
214 1 34 GLN HB3 1 36 LYS HG3 6.500 . 7.800 4.561 4.561 4.561 . 0 0 "[ ]" 1
215 1 34 GLN HB2 1 36 LYS HG3 6.500 . 7.800 2.854 2.854 2.854 . 0 0 "[ ]" 1
216 1 34 GLN HB3 1 36 LYS HG2 6.500 . 7.800 3.927 3.927 3.927 . 0 0 "[ ]" 1
217 1 34 GLN HB2 1 36 LYS HG2 6.500 . 7.800 2.650 2.650 2.650 . 0 0 "[ ]" 1
218 1 34 GLN HG3 1 35 MET H 3.500 . 4.200 4.371 4.371 4.371 0.171 1 0 "[ ]" 1
219 1 34 GLN HG3 1 36 LYS H 4.500 . 5.400 4.630 4.630 4.630 . 0 0 "[ ]" 1
220 1 34 GLN HG3 1 37 ASP H 4.500 . 5.400 4.160 4.160 4.160 . 0 0 "[ ]" 1
221 1 34 GLN HG2 1 35 MET H 3.500 . 4.200 4.328 4.328 4.328 0.128 1 0 "[ ]" 1
222 1 34 GLN HG2 1 36 LYS H 4.500 . 5.400 5.407 5.407 5.407 0.007 1 0 "[ ]" 1
223 1 34 GLN HG2 1 37 ASP H 4.500 . 5.400 5.393 5.393 5.393 . 0 0 "[ ]" 1
224 1 35 MET H 1 35 MET HG3 3.500 . 4.200 3.650 3.650 3.650 . 0 0 "[ ]" 1
225 1 35 MET H 1 35 MET HG2 3.500 . 4.200 2.219 2.219 2.219 . 0 0 "[ ]" 1
226 1 35 MET H 1 36 LYS H 3.500 . 4.200 2.393 2.393 2.393 . 0 0 "[ ]" 1
227 1 35 MET H 1 37 ASP H 4.500 . 5.400 3.792 3.792 3.792 . 0 0 "[ ]" 1
228 1 35 MET HA 1 38 CYS HB3 3.500 . 4.200 2.931 2.931 2.931 . 0 0 "[ ]" 1
229 1 35 MET HA 1 38 CYS HB2 3.500 . 4.200 3.741 3.741 3.741 . 0 0 "[ ]" 1
230 1 35 MET HB3 1 36 LYS H 3.500 . 4.200 3.844 3.844 3.844 . 0 0 "[ ]" 1
231 1 35 MET HB2 1 36 LYS H 5.000 . 6.000 4.068 4.068 4.068 . 0 0 "[ ]" 1
232 1 35 MET HG3 1 36 LYS H 4.500 . 5.400 2.997 2.997 2.997 . 0 0 "[ ]" 1
233 1 35 MET HG3 1 36 LYS HA 4.500 . 5.400 3.494 3.494 3.494 . 0 0 "[ ]" 1
234 1 35 MET HG2 1 36 LYS H 4.500 . 5.400 2.036 2.036 2.036 . 0 0 "[ ]" 1
235 1 35 MET HG2 1 36 LYS HA 4.500 . 5.400 4.002 4.002 4.002 . 0 0 "[ ]" 1
236 1 36 LYS H 1 36 LYS HG3 3.500 . 4.200 2.395 2.395 2.395 . 0 0 "[ ]" 1
237 1 36 LYS H 1 36 LYS HG2 3.500 . 4.200 2.158 2.158 2.158 . 0 0 "[ ]" 1
238 1 36 LYS H 1 37 ASP H 3.500 . 4.200 2.370 2.370 2.370 . 0 0 "[ ]" 1
239 1 36 LYS H 1 38 CYS H 4.500 . 5.400 4.440 4.440 4.440 . 0 0 "[ ]" 1
240 1 36 LYS HA 1 37 ASP H 3.500 . 4.200 3.460 3.460 3.460 . 0 0 "[ ]" 1
241 1 36 LYS HA 1 38 CYS H 4.500 . 5.400 3.822 3.822 3.822 . 0 0 "[ ]" 1
242 1 36 LYS HB3 1 37 ASP H 4.500 . 5.400 4.185 4.185 4.185 . 0 0 "[ ]" 1
243 1 36 LYS HB2 1 37 ASP H 4.500 . 5.400 4.070 4.070 4.070 . 0 0 "[ ]" 1
244 1 36 LYS HG3 1 37 ASP H 4.500 . 5.400 2.236 2.236 2.236 . 0 0 "[ ]" 1
245 1 36 LYS HG2 1 37 ASP H 4.500 . 5.400 3.475 3.475 3.475 . 0 0 "[ ]" 1
246 1 37 ASP H 1 38 CYS H 3.500 . 4.200 2.801 2.801 2.801 . 0 0 "[ ]" 1
247 1 37 ASP HB3 1 38 CYS H 4.500 . 5.400 4.561 4.561 4.561 . 0 0 "[ ]" 1
248 1 37 ASP HB2 1 38 CYS H 4.500 . 5.400 4.086 4.086 4.086 . 0 0 "[ ]" 1
249 1 38 CYS H 1 39 THR H 4.500 . 5.400 4.276 4.276 4.276 . 0 0 "[ ]" 1
250 1 38 CYS HA 1 39 THR H 2.500 . 3.000 2.208 2.208 2.208 . 0 0 "[ ]" 1
251 1 38 CYS HA 1 39 THR MG 6.500 . 7.800 5.456 5.456 5.456 . 0 0 "[ ]" 1
252 1 38 CYS HA 1 40 GLU H 4.500 . 5.400 4.506 4.506 4.506 . 0 0 "[ ]" 1
253 1 38 CYS HB3 1 39 THR H 4.500 . 5.400 4.312 4.312 4.312 . 0 0 "[ ]" 1
254 1 38 CYS HB2 1 39 THR H 4.500 . 5.400 4.330 4.330 4.330 . 0 0 "[ ]" 1
255 1 39 THR H 1 39 THR MG 4.500 . 5.400 3.695 3.695 3.695 . 0 0 "[ ]" 1
256 1 39 THR H 1 40 GLU H 3.500 . 4.200 2.625 2.625 2.625 . 0 0 "[ ]" 1
257 1 39 THR HA 1 39 THR MG 3.500 . 4.200 2.378 2.378 2.378 . 0 0 "[ ]" 1
258 1 39 THR HA 1 40 GLU H 3.500 . 4.200 3.588 3.588 3.588 . 0 0 "[ ]" 1
259 1 39 THR HB 1 40 GLU H 4.500 . 5.400 2.126 2.126 2.126 . 0 0 "[ ]" 1
260 1 39 THR MG 1 40 GLU H 5.000 . 6.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
261 1 40 GLU H 1 40 GLU HB3 3.500 . 4.200 3.873 3.873 3.873 . 0 0 "[ ]" 1
262 1 40 GLU H 1 40 GLU HB2 3.500 . 4.200 2.911 2.911 2.911 . 0 0 "[ ]" 1
263 1 40 GLU H 1 40 GLU HG3 4.500 . 5.400 4.023 4.023 4.023 . 0 0 "[ ]" 1
264 1 40 GLU H 1 40 GLU HG2 4.500 . 5.400 4.200 4.200 4.200 . 0 0 "[ ]" 1
265 1 40 GLU H 1 41 ARG H 2.500 . 3.000 2.951 2.951 2.951 . 0 0 "[ ]" 1
266 1 40 GLU HB3 1 41 ARG H 4.500 . 5.400 4.290 4.290 4.290 . 0 0 "[ ]" 1
267 1 40 GLU HB2 1 41 ARG H 4.500 . 5.400 4.552 4.552 4.552 . 0 0 "[ ]" 1
268 1 40 GLU HG3 1 41 ARG H 4.500 . 5.400 5.419 5.419 5.419 0.019 1 0 "[ ]" 1
269 1 40 GLU HG2 1 41 ARG H 4.500 . 5.400 4.528 4.528 4.528 . 0 0 "[ ]" 1
270 1 41 ARG H 1 41 ARG HB3 3.500 . 4.200 3.983 3.983 3.983 . 0 0 "[ ]" 1
271 1 41 ARG H 1 41 ARG HB2 3.500 . 4.200 3.565 3.565 3.565 . 0 0 "[ ]" 1
272 1 41 ARG H 1 41 ARG HG3 3.500 . 4.200 2.651 2.651 2.651 . 0 0 "[ ]" 1
273 1 41 ARG H 1 41 ARG HG2 3.500 . 4.200 2.992 2.992 2.992 . 0 0 "[ ]" 1
274 1 41 ARG HA 1 42 GLN H 3.500 . 4.200 2.713 2.713 2.713 . 0 0 "[ ]" 1
275 1 42 GLN H 1 42 GLN HB3 3.500 . 4.200 2.388 2.388 2.388 . 0 0 "[ ]" 1
276 1 42 GLN H 1 42 GLN HB2 3.500 . 4.200 3.562 3.562 3.562 . 0 0 "[ ]" 1
277 1 42 GLN H 1 42 GLN HG3 3.500 . 4.200 3.624 3.624 3.624 . 0 0 "[ ]" 1
278 1 42 GLN H 1 42 GLN HG2 3.500 . 4.200 2.169 2.169 2.169 . 0 0 "[ ]" 1
279 1 42 GLN HA 1 42 GLN HG3 3.500 . 4.200 3.766 3.766 3.766 . 0 0 "[ ]" 1
280 1 42 GLN HA 1 42 GLN HG2 3.500 . 4.200 3.627 3.627 3.627 . 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 20
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 3.637
_Distance_constraint_stats_list.Viol_max 0.761
_Distance_constraint_stats_list.Viol_rms 0.2325
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1818
_Distance_constraint_stats_list.Viol_average_violations_only 0.2598
_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 CYS 1.512 0.615 1 1 [+]
1 7 CYS 1.618 0.761 1 1 [+]
1 12 HIS 1.715 0.761 1 1 [+]
1 17 HIS 1.152 0.434 1 0 "[ ]"
1 25 CYS 0.016 0.016 1 0 "[ ]"
1 28 CYS 0.063 0.063 1 0 "[ ]"
1 33 HIS 0.078 0.063 1 0 "[ ]"
1 38 CYS 0.030 0.016 1 0 "[ ]"
2 1 ZN 1.088 0.350 1 0 "[ ]"
3 1 ZN 0.002 0.002 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 4 CYS SG 2 1 ZN ZN 2.300 2.300 2.300 2.558 2.558 2.558 0.258 1 0 "[ ]" 2
2 1 7 CYS SG 2 1 ZN ZN 2.300 2.300 2.300 2.537 2.537 2.537 0.237 1 0 "[ ]" 2
3 1 12 HIS ND1 2 1 ZN ZN 2.000 . 2.000 2.243 2.243 2.243 0.243 1 0 "[ ]" 2
4 1 17 HIS NE2 2 1 ZN ZN 2.000 . 2.000 2.350 2.350 2.350 0.350 1 0 "[ ]" 2
5 1 25 CYS SG 3 1 ZN ZN 2.300 . 2.760 2.618 2.618 2.618 . 0 0 "[ ]" 2
6 1 28 CYS SG 3 1 ZN ZN 2.300 . 2.760 2.633 2.633 2.633 . 0 0 "[ ]" 2
7 1 38 CYS SG 3 1 ZN ZN 2.300 . 2.760 2.608 2.608 2.608 . 0 0 "[ ]" 2
8 1 4 CYS SG 1 12 HIS ND1 3.570 3.570 3.570 3.847 3.847 3.847 0.277 1 0 "[ ]" 2
9 1 7 CYS SG 1 12 HIS ND1 3.520 3.520 3.520 4.281 4.281 4.281 0.761 1 1 [+] 2
10 1 12 HIS ND1 1 17 HIS NE2 3.080 3.080 3.080 2.646 2.646 2.646 0.434 1 0 "[ ]" 2
11 1 4 CYS SG 1 7 CYS SG 3.770 3.770 3.770 4.385 4.385 4.385 0.615 1 1 [+] 2
12 1 7 CYS SG 1 17 HIS NE2 3.490 3.490 3.490 3.496 3.496 3.496 0.006 1 0 "[ ]" 2
13 1 4 CYS SG 1 17 HIS NE2 3.500 3.500 3.500 3.138 3.138 3.138 0.362 1 0 "[ ]" 2
14 1 33 HIS NE2 3 1 ZN ZN 2.000 . 2.400 2.402 2.402 2.402 0.002 1 0 "[ ]" 2
15 1 25 CYS SG 1 33 HIS NE2 3.400 2.720 4.080 3.509 3.509 3.509 . 0 0 "[ ]" 2
16 1 28 CYS SG 1 33 HIS NE2 3.450 2.760 4.140 4.203 4.203 4.203 0.063 1 0 "[ ]" 2
17 1 33 HIS NE2 1 38 CYS SG 3.500 2.800 4.200 4.214 4.214 4.214 0.014 1 0 "[ ]" 2
18 1 25 CYS SG 1 28 CYS SG 3.800 3.040 4.560 4.539 4.539 4.539 . 0 0 "[ ]" 2
19 1 28 CYS SG 1 38 CYS SG 3.800 3.040 4.560 4.337 4.337 4.337 . 0 0 "[ ]" 2
20 1 25 CYS SG 1 38 CYS SG 3.500 2.800 4.200 4.216 4.216 4.216 0.016 1 0 "[ ]" 2
stop_
save_
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