NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387929 |
1mv2   |
5587 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mv2
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 142
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.033
_Distance_constraint_stats_list.Viol_max 0.027
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0109
_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 G 0.000 0.000 . 0 "[ ]"
1 2 G 0.000 0.000 . 0 "[ ]"
1 3 C 0.000 0.000 . 0 "[ ]"
1 4 A 0.027 0.027 1 0 "[ ]"
1 5 P5P 0.027 0.027 1 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
1 7 C 0.000 0.000 . 0 "[ ]"
1 8 C 0.005 0.005 1 0 "[ ]"
1 9 U 0.005 0.005 1 0 "[ ]"
2 1 G 0.000 0.000 . 0 "[ ]"
2 2 G 0.000 0.000 . 0 "[ ]"
2 3 C 0.000 0.000 . 0 "[ ]"
2 4 A 0.000 0.000 . 0 "[ ]"
2 5 P5P 0.000 0.000 1 0 "[ ]"
2 6 G 0.000 0.000 . 0 "[ ]"
2 7 C 0.000 0.000 . 0 "[ ]"
2 8 C 0.000 0.000 . 0 "[ ]"
2 9 U 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 G H1' 1 1 G H8 . 2.559 4.753 3.704 3.704 3.704 . 0 0 "[ ]" 1
2 1 1 G H1' 1 1 G H4' . 2.378 4.416 3.255 3.255 3.255 . 0 0 "[ ]" 1
3 1 1 G H1' 1 2 G H8 . 2.821 5.240 4.732 4.732 4.732 . 0 0 "[ ]" 1
4 1 1 G H1' 1 1 G H3' . 2.309 4.287 3.760 3.760 3.760 . 0 0 "[ ]" 1
5 1 1 G H1' 1 1 G H2' . . 3.504 2.744 2.744 2.744 . 0 0 "[ ]" 1
6 1 1 G H2' 1 1 G H3' . . 2.780 2.432 2.432 2.432 . 0 0 "[ ]" 1
7 1 1 G H2' 1 1 G H4' . 2.559 4.753 3.711 3.711 3.711 . 0 0 "[ ]" 1
8 1 1 G H3' 1 1 G H8 . 2.255 4.187 3.166 3.166 3.166 . 0 0 "[ ]" 1
9 1 1 G H2' 1 2 G H8 . . 3.085 2.189 2.189 2.189 . 0 0 "[ ]" 1
10 1 1 G H3' 1 2 G H8 . . 3.202 3.135 3.135 3.135 . 0 0 "[ ]" 1
11 1 2 G H1' 1 2 G H8 . 2.802 5.204 3.729 3.729 3.729 . 0 0 "[ ]" 1
12 1 1 G H2' 1 2 G H1' . 2.954 5.485 4.117 4.117 4.117 . 0 0 "[ ]" 1
13 1 2 G H1' 1 3 C H5 . 3.211 5.964 5.780 5.780 5.780 . 0 0 "[ ]" 1
14 1 2 G H1' 1 2 G H3' . 2.200 4.087 3.764 3.764 3.764 . 0 0 "[ ]" 1
15 1 2 G H1' 1 2 G H2' . 2.040 3.789 2.723 2.723 2.723 . 0 0 "[ ]" 1
16 1 2 G H2' 1 3 C H5 . 2.992 5.556 3.967 3.967 3.967 . 0 0 "[ ]" 1
17 1 2 G H2' 1 3 C H6 . . 3.208 2.450 2.450 2.450 . 0 0 "[ ]" 1
18 1 2 G H2' 1 3 C H1' . 3.211 5.964 4.543 4.543 4.543 . 0 0 "[ ]" 1
19 1 2 G H8 1 3 C H5 . 2.776 5.156 4.498 4.498 4.498 . 0 0 "[ ]" 1
20 1 3 C H5 1 3 C H6 . . 3.210 2.412 2.412 2.412 . 0 0 "[ ]" 1
21 1 3 C H1' 1 3 C H6 . 2.560 4.754 3.655 3.655 3.655 . 0 0 "[ ]" 1
22 1 3 C H2' 1 3 C H6 . 2.293 4.258 3.760 3.760 3.760 . 0 0 "[ ]" 1
23 1 3 C H1' 1 3 C H3' . 2.171 4.032 3.771 3.771 3.771 . 0 0 "[ ]" 1
24 1 3 C H1' 1 3 C H2' . . 3.537 2.749 2.749 2.749 . 0 0 "[ ]" 1
25 1 3 C H2' 1 4 A H1' . 2.354 4.371 3.804 3.804 3.804 . 0 0 "[ ]" 1
26 1 3 C H3' 1 3 C H6 . 2.010 3.732 2.631 2.631 2.631 . 0 0 "[ ]" 1
27 1 3 C H3' 1 4 A H8 . 2.048 3.803 3.123 3.123 3.123 . 0 0 "[ ]" 1
28 1 3 C H2' 1 4 A H8 . . 3.406 2.267 2.267 2.267 . 0 0 "[ ]" 1
29 1 4 A H1' 1 4 A H8 . 2.875 5.339 3.889 3.889 3.889 . 0 0 "[ ]" 1
30 1 4 A H3' 1 4 A H8 . 2.176 4.040 2.606 2.606 2.606 . 0 0 "[ ]" 1
31 1 4 A H1' 1 4 A H2' . . 3.391 2.746 2.746 2.746 . 0 0 "[ ]" 1
32 1 4 A H1' 1 4 A H3' . 2.791 5.184 3.792 3.792 3.792 . 0 0 "[ ]" 1
33 1 4 A H2' 1 4 A H8 . 2.414 4.483 3.640 3.640 3.640 . 0 0 "[ ]" 1
34 1 5 P5P H1' 1 5 P5P H2 . 3.188 5.920 4.670 4.670 4.670 . 0 0 "[ ]" 1
35 1 4 A H3' 1 5 P5P H8 . 2.550 4.736 4.028 4.028 4.028 . 0 0 "[ ]" 1
36 1 5 P5P H2' 1 5 P5P H8 . 2.667 4.953 3.897 3.897 3.897 . 0 0 "[ ]" 1
37 1 4 A H2' 1 5 P5P H8 . 2.023 3.757 2.027 2.027 2.027 . 0 0 "[ ]" 1
38 1 5 P5P H1' 1 5 P5P H3' . 2.278 4.230 3.762 3.762 3.762 . 0 0 "[ ]" 1
39 1 4 A H2 1 5 P5P H1' . 2.897 5.380 5.407 5.407 5.407 0.027 1 0 "[ ]" 1
40 1 5 P5P H1' 1 5 P5P H2' . 2.079 3.861 2.725 2.725 2.725 . 0 0 "[ ]" 1
41 1 5 P5P H2' 1 6 G H8 . . 3.422 2.459 2.459 2.459 . 0 0 "[ ]" 1
42 1 6 G H3' 1 6 G H8 . . 3.454 3.074 3.074 3.074 . 0 0 "[ ]" 1
43 1 6 G H1' 1 6 G H8 . 2.958 5.494 3.744 3.744 3.744 . 0 0 "[ ]" 1
44 1 6 G H1' 1 6 G H2' . . 3.627 2.732 2.732 2.732 . 0 0 "[ ]" 1
45 1 6 G H1' 1 7 C H6 . 2.797 5.194 4.820 4.820 4.820 . 0 0 "[ ]" 1
46 1 6 G H2' 1 7 C H6 . . 3.357 2.227 2.227 2.227 . 0 0 "[ ]" 1
47 1 6 G H2' 1 7 C H5 . 2.635 4.893 3.781 3.781 3.781 . 0 0 "[ ]" 1
48 1 7 C H5 1 8 C H5 . 2.417 4.488 3.739 3.739 3.739 . 0 0 "[ ]" 1
49 1 7 C H5 1 7 C H6 . . 3.291 2.412 2.412 2.412 . 0 0 "[ ]" 1
50 1 7 C H1' 1 7 C H6 . 2.272 4.219 3.662 3.662 3.662 . 0 0 "[ ]" 1
51 1 7 C H1' 1 7 C H2' . . 3.541 2.737 2.737 2.737 . 0 0 "[ ]" 1
52 1 7 C H2' 1 8 C H5 . 2.570 4.773 3.697 3.697 3.697 . 0 0 "[ ]" 1
53 1 7 C H3' 1 7 C H6 . . 3.552 2.637 2.637 2.637 . 0 0 "[ ]" 1
54 1 7 C H1' 1 7 C H3' . 2.409 4.474 3.766 3.766 3.766 . 0 0 "[ ]" 1
55 1 7 C H2' 1 8 C H6 . . 2.968 2.141 2.141 2.141 . 0 0 "[ ]" 1
56 1 8 C H5 1 8 C H6 . . 3.175 2.418 2.418 2.418 . 0 0 "[ ]" 1
57 1 8 C H1' 1 8 C H6 . 2.658 4.936 3.659 3.659 3.659 . 0 0 "[ ]" 1
58 1 8 C H1' 1 8 C H2' . . 3.364 2.751 2.751 2.751 . 0 0 "[ ]" 1
59 1 8 C H2' 1 9 U H5 . 2.232 4.145 4.150 4.150 4.150 0.005 1 0 "[ ]" 1
60 1 8 C H2' 1 9 U H6 . . 3.254 2.380 2.380 2.380 . 0 0 "[ ]" 1
61 1 9 U H5 1 9 U H6 . . 3.236 2.416 2.416 2.416 . 0 0 "[ ]" 1
62 1 9 U H3' 1 9 U H6 . . 3.347 2.679 2.679 2.679 . 0 0 "[ ]" 1
63 1 9 U H1' 1 9 U H6 . 3.136 5.824 3.664 3.664 3.664 . 0 0 "[ ]" 1
64 1 9 U H2' 1 9 U H6 . 2.404 4.464 3.702 3.702 3.702 . 0 0 "[ ]" 1
65 1 9 U H1' 1 9 U H2' . 2.009 3.730 2.788 2.788 2.788 . 0 0 "[ ]" 1
66 1 9 U H1' 1 9 U H3' . 2.496 4.635 3.813 3.813 3.813 . 0 0 "[ ]" 1
67 1 8 C H3' 1 8 C H6 . . 3.700 2.697 2.697 2.697 . 0 0 "[ ]" 1
68 1 8 C H3' 1 9 U H6 . . 3.670 3.039 3.039 3.039 . 0 0 "[ ]" 1
69 1 8 C H1' 1 8 C H3' . 2.717 5.046 3.785 3.785 3.785 . 0 0 "[ ]" 1
70 2 1 G H1' 2 1 G H8 . 2.559 4.753 3.689 3.689 3.689 . 0 0 "[ ]" 1
71 2 1 G H1' 2 1 G H4' . 2.378 4.416 3.425 3.425 3.425 . 0 0 "[ ]" 1
72 2 1 G H1' 2 2 G H8 . 2.821 5.240 4.800 4.800 4.800 . 0 0 "[ ]" 1
73 2 1 G H1' 2 1 G H3' . 2.309 4.287 3.761 3.761 3.761 . 0 0 "[ ]" 1
74 2 1 G H1' 2 1 G H2' . . 3.504 2.718 2.718 2.718 . 0 0 "[ ]" 1
75 2 1 G H2' 2 1 G H3' . . 2.780 2.405 2.405 2.405 . 0 0 "[ ]" 1
76 2 1 G H2' 2 1 G H4' . 2.559 4.753 3.778 3.778 3.778 . 0 0 "[ ]" 1
77 2 1 G H3' 2 1 G H8 . 2.255 4.187 3.191 3.191 3.191 . 0 0 "[ ]" 1
78 2 1 G H2' 2 2 G H8 . . 3.085 2.345 2.345 2.345 . 0 0 "[ ]" 1
79 2 1 G H3' 2 2 G H8 . . 3.202 2.986 2.986 2.986 . 0 0 "[ ]" 1
80 2 2 G H1' 2 2 G H8 . 2.802 5.204 3.734 3.734 3.734 . 0 0 "[ ]" 1
81 2 1 G H2' 2 2 G H1' . 2.954 5.485 4.136 4.136 4.136 . 0 0 "[ ]" 1
82 2 2 G H1' 2 3 C H5 . 3.211 5.964 5.837 5.837 5.837 . 0 0 "[ ]" 1
83 2 2 G H1' 2 2 G H3' . 2.200 4.087 3.758 3.758 3.758 . 0 0 "[ ]" 1
84 2 2 G H1' 2 2 G H2' . 2.040 3.789 2.743 2.743 2.743 . 0 0 "[ ]" 1
85 2 2 G H2' 2 3 C H5 . 2.992 5.556 3.951 3.951 3.951 . 0 0 "[ ]" 1
86 2 2 G H2' 2 3 C H6 . . 3.208 2.436 2.436 2.436 . 0 0 "[ ]" 1
87 2 2 G H2' 2 3 C H1' . 3.211 5.964 4.504 4.504 4.504 . 0 0 "[ ]" 1
88 2 2 G H8 2 3 C H5 . 2.776 5.156 4.536 4.536 4.536 . 0 0 "[ ]" 1
89 2 3 C H5 2 3 C H6 . . 3.210 2.415 2.415 2.415 . 0 0 "[ ]" 1
90 2 3 C H1' 2 3 C H6 . 2.560 4.754 3.672 3.672 3.672 . 0 0 "[ ]" 1
91 2 3 C H2' 2 3 C H6 . 2.293 4.258 3.643 3.643 3.643 . 0 0 "[ ]" 1
92 2 3 C H1' 2 3 C H3' . 2.171 4.032 3.778 3.778 3.778 . 0 0 "[ ]" 1
93 2 3 C H1' 2 3 C H2' . . 3.537 2.760 2.760 2.760 . 0 0 "[ ]" 1
94 2 3 C H2' 2 4 A H1' . 2.354 4.371 4.221 4.221 4.221 . 0 0 "[ ]" 1
95 2 3 C H3' 2 3 C H6 . 2.010 3.732 2.568 2.568 2.568 . 0 0 "[ ]" 1
96 2 3 C H3' 2 4 A H8 . 2.048 3.803 3.538 3.538 3.538 . 0 0 "[ ]" 1
97 2 3 C H2' 2 4 A H8 . . 3.406 2.249 2.249 2.249 . 0 0 "[ ]" 1
98 2 4 A H1' 2 4 A H8 . 2.875 5.339 3.890 3.890 3.890 . 0 0 "[ ]" 1
99 2 4 A H3' 2 4 A H8 . 2.176 4.040 2.416 2.416 2.416 . 0 0 "[ ]" 1
100 2 4 A H1' 2 4 A H2' . . 3.391 2.722 2.722 2.722 . 0 0 "[ ]" 1
101 2 4 A H1' 2 4 A H3' . 2.791 5.184 3.765 3.765 3.765 . 0 0 "[ ]" 1
102 2 4 A H2' 2 4 A H8 . 2.414 4.483 3.684 3.684 3.684 . 0 0 "[ ]" 1
103 2 5 P5P H1' 2 5 P5P H2 . 3.188 5.920 4.586 4.586 4.586 . 0 0 "[ ]" 1
104 2 4 A H3' 2 5 P5P H8 . 2.550 4.736 3.337 3.337 3.337 . 0 0 "[ ]" 1
105 2 5 P5P H2' 2 5 P5P H8 . 2.667 4.953 3.832 3.832 3.832 . 0 0 "[ ]" 1
106 2 4 A H2' 2 5 P5P H8 . 2.023 3.757 2.110 2.110 2.110 . 0 0 "[ ]" 1
107 2 5 P5P H1' 2 5 P5P H3' . 2.278 4.230 3.745 3.745 3.745 . 0 0 "[ ]" 1
108 2 4 A H2 2 5 P5P H1' . 2.897 5.380 4.389 4.389 4.389 . 0 0 "[ ]" 1
109 2 5 P5P H1' 2 5 P5P H2' . 2.079 3.861 2.737 2.737 2.737 . 0 0 "[ ]" 1
110 2 5 P5P H2' 2 6 G H8 . . 3.422 2.239 2.239 2.239 . 0 0 "[ ]" 1
111 2 6 G H3' 2 6 G H8 . . 3.454 3.024 3.024 3.024 . 0 0 "[ ]" 1
112 2 6 G H1' 2 6 G H8 . 2.958 5.494 3.760 3.760 3.760 . 0 0 "[ ]" 1
113 2 6 G H1' 2 6 G H2' . . 3.627 2.733 2.733 2.733 . 0 0 "[ ]" 1
114 2 6 G H1' 2 7 C H6 . 2.797 5.194 4.796 4.796 4.796 . 0 0 "[ ]" 1
115 2 6 G H2' 2 7 C H6 . . 3.357 2.224 2.224 2.224 . 0 0 "[ ]" 1
116 2 6 G H2' 2 7 C H5 . 2.635 4.893 3.819 3.819 3.819 . 0 0 "[ ]" 1
117 2 7 C H5 2 8 C H5 . 2.417 4.488 3.729 3.729 3.729 . 0 0 "[ ]" 1
118 2 7 C H5 2 7 C H6 . . 3.291 2.413 2.413 2.413 . 0 0 "[ ]" 1
119 2 7 C H1' 2 7 C H6 . 2.272 4.219 3.655 3.655 3.655 . 0 0 "[ ]" 1
120 2 7 C H1' 2 7 C H2' . . 3.541 2.755 2.755 2.755 . 0 0 "[ ]" 1
121 2 7 C H2' 2 8 C H5 . 2.570 4.773 3.672 3.672 3.672 . 0 0 "[ ]" 1
122 2 7 C H3' 2 7 C H6 . . 3.552 2.632 2.632 2.632 . 0 0 "[ ]" 1
123 2 7 C H1' 2 7 C H3' . 2.409 4.474 3.756 3.756 3.756 . 0 0 "[ ]" 1
124 2 7 C H2' 2 8 C H6 . . 2.968 2.118 2.118 2.118 . 0 0 "[ ]" 1
125 2 8 C H5 2 8 C H6 . . 3.175 2.416 2.416 2.416 . 0 0 "[ ]" 1
126 2 8 C H1' 2 8 C H6 . 2.658 4.936 3.655 3.655 3.655 . 0 0 "[ ]" 1
127 2 8 C H1' 2 8 C H2' . . 3.364 2.744 2.744 2.744 . 0 0 "[ ]" 1
128 2 8 C H2' 2 9 U H5 . 2.232 4.145 4.132 4.132 4.132 . 0 0 "[ ]" 1
129 2 8 C H2' 2 9 U H6 . . 3.254 2.387 2.387 2.387 . 0 0 "[ ]" 1
130 2 9 U H5 2 9 U H6 . . 3.236 2.416 2.416 2.416 . 0 0 "[ ]" 1
131 2 9 U H3' 2 9 U H6 . . 3.347 2.596 2.596 2.596 . 0 0 "[ ]" 1
132 2 9 U H1' 2 9 U H6 . 3.136 5.824 3.677 3.677 3.677 . 0 0 "[ ]" 1
133 2 9 U H2' 2 9 U H6 . 2.404 4.464 3.701 3.701 3.701 . 0 0 "[ ]" 1
134 2 9 U H1' 2 9 U H2' . 2.009 3.730 2.764 2.764 2.764 . 0 0 "[ ]" 1
135 2 9 U H1' 2 9 U H3' . 2.496 4.635 3.798 3.798 3.798 . 0 0 "[ ]" 1
136 2 8 C H3' 2 8 C H6 . . 3.700 2.708 2.708 2.708 . 0 0 "[ ]" 1
137 2 8 C H3' 2 9 U H6 . . 3.670 3.026 3.026 3.026 . 0 0 "[ ]" 1
138 2 8 C H1' 2 8 C H3' . 2.717 5.046 3.777 3.777 3.777 . 0 0 "[ ]" 1
139 1 5 P5P H2 2 4 A H2 . 3.207 5.955 3.774 3.774 3.774 . 0 0 "[ ]" 1
140 1 4 A H2 2 5 P5P H2 . 3.207 5.955 3.207 3.207 3.207 0.000 1 0 "[ ]" 1
141 1 5 P5P H6 2 4 A H2 . 2.632 4.888 3.424 3.424 3.424 . 0 0 "[ ]" 1
142 1 4 A H2 2 5 P5P H6 . 2.632 4.888 3.555 3.555 3.555 . 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 18
_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 .
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 G 0.000 0.000 . 0 "[ ]"
1 2 G 0.000 0.000 . 0 "[ ]"
1 3 C 0.000 0.000 . 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
1 7 C 0.000 0.000 . 0 "[ ]"
1 8 C 0.000 0.000 . 0 "[ ]"
2 1 G 0.000 0.000 . 0 "[ ]"
2 2 G 0.000 0.000 . 0 "[ ]"
2 3 C 0.000 0.000 . 0 "[ ]"
2 6 G 0.000 0.000 . 0 "[ ]"
2 7 C 0.000 0.000 . 0 "[ ]"
2 8 C 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 G H1 2 8 C N3 . . 2.500 1.958 1.958 1.958 . 0 0 "[ ]" 2
2 1 1 G O6 2 8 C H41 . . 2.500 1.898 1.898 1.898 . 0 0 "[ ]" 2
3 1 1 G H21 2 8 C O2 . . 2.500 1.857 1.857 1.857 . 0 0 "[ ]" 2
4 1 2 G H1 2 7 C N3 . . 2.500 1.950 1.950 1.950 . 0 0 "[ ]" 2
5 1 2 G O6 2 7 C H41 . . 2.500 1.941 1.941 1.941 . 0 0 "[ ]" 2
6 1 2 G H21 2 7 C O2 . . 2.500 1.836 1.836 1.836 . 0 0 "[ ]" 2
7 1 3 C N3 2 6 G H1 . . 2.500 1.991 1.991 1.991 . 0 0 "[ ]" 2
8 1 3 C H41 2 6 G O6 . . 2.500 1.897 1.897 1.897 . 0 0 "[ ]" 2
9 1 3 C O2 2 6 G H21 . . 2.500 1.944 1.944 1.944 . 0 0 "[ ]" 2
10 1 6 G H1 2 3 C N3 . . 2.500 1.989 1.989 1.989 . 0 0 "[ ]" 2
11 1 6 G O6 2 3 C H41 . . 2.500 1.900 1.900 1.900 . 0 0 "[ ]" 2
12 1 6 G H21 2 3 C O2 . . 2.500 1.924 1.924 1.924 . 0 0 "[ ]" 2
13 1 7 C N3 2 2 G H1 . . 2.500 1.956 1.956 1.956 . 0 0 "[ ]" 2
14 1 7 C H41 2 2 G O6 . . 2.500 1.949 1.949 1.949 . 0 0 "[ ]" 2
15 1 7 C O2 2 2 G H21 . . 2.500 1.824 1.824 1.824 . 0 0 "[ ]" 2
16 1 8 C N3 2 1 G H1 . . 2.500 1.954 1.954 1.954 . 0 0 "[ ]" 2
17 1 8 C H41 2 1 G O6 . . 2.500 1.899 1.899 1.899 . 0 0 "[ ]" 2
18 1 8 C O2 2 1 G H21 . . 2.500 1.852 1.852 1.852 . 0 0 "[ ]" 2
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