NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387889 |
1muv   |
5614 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1muv
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 166
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.241
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0402
_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 0.022 0.022 1 0 "[ ]"
1 2 G 0.022 0.022 1 0 "[ ]"
1 3 C 0.000 0.000 . 0 "[ ]"
1 4 A 0.000 0.000 . 0 "[ ]"
1 5 A 0.000 0.000 . 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
1 7 C 0.097 0.094 1 0 "[ ]"
1 8 C 0.003 0.003 1 0 "[ ]"
1 9 U 0.000 0.000 . 0 "[ ]"
2 1 G 0.024 0.024 1 0 "[ ]"
2 2 G 0.024 0.024 1 0 "[ ]"
2 3 C 0.000 0.000 . 0 "[ ]"
2 4 A 0.000 0.000 . 0 "[ ]"
2 5 A 0.000 0.000 . 0 "[ ]"
2 6 G 0.000 0.000 . 0 "[ ]"
2 7 C 0.098 0.094 1 0 "[ ]"
2 8 C 0.004 0.004 1 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 . 2.928 5.437 3.625 3.625 3.625 . 0 0 "[ ]" 1
2 1 1 G H2' 1 1 G H8 . 3.389 6.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
3 1 1 G H3' 1 1 G H8 . 2.662 4.943 3.272 3.272 3.272 . 0 0 "[ ]" 1
4 1 1 G H4' 1 1 G H8 . 4.033 6.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
5 1 1 G H1' 1 1 G H2' . . 3.531 2.712 2.712 2.712 . 0 0 "[ ]" 1
6 1 1 G H1' 1 1 G H3' . 2.269 4.214 3.688 3.688 3.688 . 0 0 "[ ]" 1
7 1 1 G H1' 1 1 G H4' . 2.544 4.725 3.458 3.458 3.458 . 0 0 "[ ]" 1
8 1 1 G H1' 1 2 G H8 . 2.783 5.169 5.191 5.191 5.191 0.022 1 0 "[ ]" 1
9 1 1 G H2' 1 1 G H3' . . 2.872 2.358 2.358 2.358 . 0 0 "[ ]" 1
10 1 1 G H2' 1 1 G H4' . 2.279 4.233 3.776 3.776 3.776 . 0 0 "[ ]" 1
11 1 1 G H2' 1 2 G H8 . . 3.138 3.023 3.023 3.023 . 0 0 "[ ]" 1
12 1 2 G H3' 1 2 G H8 . . 3.229 3.112 3.112 3.112 . 0 0 "[ ]" 1
13 1 2 G H8 1 3 C H5 . 3.030 5.628 4.492 4.492 4.492 . 0 0 "[ ]" 1
14 1 2 G H1' 1 2 G H8 . 2.629 4.883 3.763 3.763 3.763 . 0 0 "[ ]" 1
15 1 2 G H1' 1 2 G H4' . 2.085 3.872 3.219 3.219 3.219 . 0 0 "[ ]" 1
16 1 2 G H1' 1 3 C H6 . 2.756 5.117 4.847 4.847 4.847 . 0 0 "[ ]" 1
17 1 2 G H1' 1 2 G H2' . . 3.205 2.751 2.751 2.751 . 0 0 "[ ]" 1
18 1 2 G H2' 1 3 C H6 . . 2.895 2.200 2.200 2.200 . 0 0 "[ ]" 1
19 1 3 C H5 1 3 C H6 . . 3.262 2.414 2.414 2.414 . 0 0 "[ ]" 1
20 1 3 C H1' 1 3 C H6 . 2.699 5.012 3.640 3.640 3.640 . 0 0 "[ ]" 1
21 1 3 C H3' 1 3 C H6 . . 3.392 2.888 2.888 2.888 . 0 0 "[ ]" 1
22 1 3 C H6 1 4 A H8 . 2.921 5.425 4.420 4.420 4.420 . 0 0 "[ ]" 1
23 1 3 C H1' 1 3 C H3' . 2.137 3.968 3.823 3.823 3.823 . 0 0 "[ ]" 1
24 1 3 C H1' 1 3 C H2' . . 3.495 2.749 2.749 2.749 . 0 0 "[ ]" 1
25 1 3 C H2' 1 4 A H8 . . 3.504 2.446 2.446 2.446 . 0 0 "[ ]" 1
26 1 3 C H3' 1 4 A H8 . 2.118 3.934 2.847 2.847 2.847 . 0 0 "[ ]" 1
27 1 3 C H5 1 4 A H8 . 3.200 5.943 5.137 5.137 5.137 . 0 0 "[ ]" 1
28 1 3 C H1' 1 4 A H8 . 3.173 5.893 4.990 4.990 4.990 . 0 0 "[ ]" 1
29 1 4 A H2' 1 4 A H8 . 2.239 4.158 3.878 3.878 3.878 . 0 0 "[ ]" 1
30 1 4 A H3' 1 4 A H8 . 2.239 4.158 2.706 2.706 2.706 . 0 0 "[ ]" 1
31 1 4 A H1' 1 4 A H8 . 2.873 5.336 3.841 3.841 3.841 . 0 0 "[ ]" 1
32 1 4 A H1' 1 4 A H3' . 2.782 5.167 3.795 3.795 3.795 . 0 0 "[ ]" 1
33 1 4 A H1' 1 5 A H8 . 3.263 6.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
34 1 4 A H1' 1 4 A H2' . . 3.414 2.743 2.743 2.743 . 0 0 "[ ]" 1
35 1 4 A H2' 1 4 A H3' . . 3.248 2.404 2.404 2.404 . 0 0 "[ ]" 1
36 1 4 A H2' 1 5 A H8 . . 3.544 2.557 2.557 2.557 . 0 0 "[ ]" 1
37 1 4 A H3' 1 5 A H8 . 2.607 4.842 4.564 4.564 4.564 . 0 0 "[ ]" 1
38 1 5 A H2 1 5 A H2' . 3.444 6.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
39 1 5 A H2 1 6 G H1' . 2.890 5.367 3.172 3.172 3.172 . 0 0 "[ ]" 1
40 1 5 A H2' 1 5 A H8 . 2.565 4.764 4.075 4.075 4.075 . 0 0 "[ ]" 1
41 1 5 A H3' 1 5 A H8 . 2.237 4.154 3.160 3.160 3.160 . 0 0 "[ ]" 1
42 1 5 A H8 1 6 G H8 . 2.976 5.526 4.168 4.168 4.168 . 0 0 "[ ]" 1
43 1 5 A H1' 1 5 A H8 . 2.592 4.813 3.771 3.771 3.771 . 0 0 "[ ]" 1
44 1 5 A H1' 1 5 A H2' . . 3.629 2.731 2.731 2.731 . 0 0 "[ ]" 1
45 1 5 A H2' 1 5 A H3' . . 3.212 2.404 2.404 2.404 . 0 0 "[ ]" 1
46 1 5 A H3' 1 6 G H8 . . 3.087 2.385 2.385 2.385 . 0 0 "[ ]" 1
47 1 5 A H1' 1 6 G H8 . 3.065 5.692 5.050 5.050 5.050 . 0 0 "[ ]" 1
48 1 5 A H2' 1 6 G H8 . 2.133 3.960 2.709 2.709 2.709 . 0 0 "[ ]" 1
49 1 6 G H8 1 7 C H5 . 2.550 4.736 4.315 4.315 4.315 . 0 0 "[ ]" 1
50 1 6 G H2' 1 6 G H8 . 2.633 4.889 3.924 3.924 3.924 . 0 0 "[ ]" 1
51 1 6 G H2' 1 7 C H5 . 2.434 4.520 3.666 3.666 3.666 . 0 0 "[ ]" 1
52 1 6 G H2' 1 7 C H6 . . 2.999 2.284 2.284 2.284 . 0 0 "[ ]" 1
53 1 6 G H2' 1 7 C H1' . 2.796 5.192 4.153 4.153 4.153 . 0 0 "[ ]" 1
54 1 6 G H3' 1 6 G H8 . . 3.596 2.869 2.869 2.869 . 0 0 "[ ]" 1
55 1 7 C H3' 1 7 C H5 . 2.207 4.099 4.193 4.193 4.193 0.094 1 0 "[ ]" 1
56 1 7 C H5 1 8 C H5 . 3.287 6.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
57 1 7 C H5 1 7 C H6 . . 3.287 2.368 2.368 2.368 . 0 0 "[ ]" 1
58 1 7 C H1' 1 7 C H6 . 2.694 5.003 3.698 3.698 3.698 . 0 0 "[ ]" 1
59 1 7 C H2' 1 7 C H6 . 2.039 3.786 3.584 3.584 3.584 . 0 0 "[ ]" 1
60 1 7 C H1' 1 7 C H2' . 2.056 3.819 2.738 2.738 2.738 . 0 0 "[ ]" 1
61 1 7 C H1' 1 8 C H6 . 2.615 4.857 4.787 4.787 4.787 . 0 0 "[ ]" 1
62 1 7 C H2' 1 8 C H6 . . 3.070 2.128 2.128 2.128 . 0 0 "[ ]" 1
63 1 7 C H3' 1 7 C H6 . . 2.958 2.303 2.303 2.303 . 0 0 "[ ]" 1
64 1 7 C H1' 1 7 C H3' . 2.151 3.994 3.782 3.782 3.782 . 0 0 "[ ]" 1
65 1 7 C H3' 1 8 C H6 . . 3.336 3.339 3.339 3.339 0.003 1 0 "[ ]" 1
66 1 7 C H2' 1 8 C H5 . 2.239 4.158 3.579 3.579 3.579 . 0 0 "[ ]" 1
67 1 7 C H3' 1 8 C H5 . 2.293 4.259 3.729 3.729 3.729 . 0 0 "[ ]" 1
68 1 8 C H5 1 8 C H6 . . 3.262 2.406 2.406 2.406 . 0 0 "[ ]" 1
69 1 8 C H1' 1 8 C H6 . 2.315 4.300 3.668 3.668 3.668 . 0 0 "[ ]" 1
70 1 8 C H1' 1 8 C H2' . . 3.344 2.749 2.749 2.749 . 0 0 "[ ]" 1
71 1 8 C H2' 1 9 U H6 . . 3.293 2.316 2.316 2.316 . 0 0 "[ ]" 1
72 1 8 C H3' 1 9 U H5 . 2.584 4.799 3.516 3.516 3.516 . 0 0 "[ ]" 1
73 1 9 U H3' 1 9 U H5 . 3.268 6.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
74 1 8 C H3' 1 9 U H6 . . 3.067 2.965 2.965 2.965 . 0 0 "[ ]" 1
75 1 9 U H5 1 9 U H6 . . 3.173 2.416 2.416 2.416 . 0 0 "[ ]" 1
76 1 9 U H1' 1 9 U H6 . 2.502 4.647 3.663 3.663 3.663 . 0 0 "[ ]" 1
77 1 8 C H2' 1 9 U H1' . 2.470 4.587 4.097 4.097 4.097 . 0 0 "[ ]" 1
78 1 9 U H1' 1 9 U H3' . 2.176 4.041 3.818 3.818 3.818 . 0 0 "[ ]" 1
79 1 9 U H2' 1 9 U H6 . 2.383 4.425 3.722 3.722 3.722 . 0 0 "[ ]" 1
80 1 9 U H1' 1 9 U H2' . 2.043 3.795 2.790 2.790 2.790 . 0 0 "[ ]" 1
81 1 9 U H3' 1 9 U H6 . . 3.479 2.751 2.751 2.751 . 0 0 "[ ]" 1
82 2 1 G H1' 2 1 G H8 . 2.928 5.437 3.620 3.620 3.620 . 0 0 "[ ]" 1
83 2 1 G H2' 2 1 G H8 . 3.389 6.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
84 2 1 G H3' 2 1 G H8 . 2.662 4.943 3.307 3.307 3.307 . 0 0 "[ ]" 1
85 2 1 G H4' 2 1 G H8 . 4.033 6.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
86 2 1 G H1' 2 1 G H2' . . 3.531 2.710 2.710 2.710 . 0 0 "[ ]" 1
87 2 1 G H1' 2 1 G H3' . 2.269 4.214 3.695 3.695 3.695 . 0 0 "[ ]" 1
88 2 1 G H1' 2 1 G H4' . 2.544 4.725 3.488 3.488 3.488 . 0 0 "[ ]" 1
89 2 1 G H1' 2 2 G H8 . 2.783 5.169 5.193 5.193 5.193 0.024 1 0 "[ ]" 1
90 2 1 G H2' 2 1 G H3' . . 2.872 2.349 2.349 2.349 . 0 0 "[ ]" 1
91 2 1 G H2' 2 1 G H4' . 2.279 4.233 3.794 3.794 3.794 . 0 0 "[ ]" 1
92 2 1 G H2' 2 2 G H8 . . 3.138 3.010 3.010 3.010 . 0 0 "[ ]" 1
93 2 2 G H3' 2 2 G H8 . . 3.229 3.123 3.123 3.123 . 0 0 "[ ]" 1
94 2 2 G H8 2 3 C H5 . 3.030 5.628 4.507 4.507 4.507 . 0 0 "[ ]" 1
95 2 2 G H1' 2 2 G H8 . 2.629 4.883 3.763 3.763 3.763 . 0 0 "[ ]" 1
96 2 2 G H1' 2 2 G H4' . 2.085 3.872 3.221 3.221 3.221 . 0 0 "[ ]" 1
97 2 2 G H1' 2 3 C H6 . 2.756 5.117 4.861 4.861 4.861 . 0 0 "[ ]" 1
98 2 2 G H1' 2 2 G H2' . . 3.205 2.750 2.750 2.750 . 0 0 "[ ]" 1
99 2 2 G H2' 2 3 C H6 . . 2.895 2.209 2.209 2.209 . 0 0 "[ ]" 1
100 2 3 C H5 2 3 C H6 . . 3.262 2.413 2.413 2.413 . 0 0 "[ ]" 1
101 2 3 C H1' 2 3 C H6 . 2.699 5.012 3.646 3.646 3.646 . 0 0 "[ ]" 1
102 2 3 C H3' 2 3 C H6 . . 3.392 2.866 2.866 2.866 . 0 0 "[ ]" 1
103 2 3 C H6 2 4 A H8 . 2.921 5.425 4.406 4.406 4.406 . 0 0 "[ ]" 1
104 2 3 C H1' 2 3 C H3' . 2.137 3.968 3.823 3.823 3.823 . 0 0 "[ ]" 1
105 2 3 C H1' 2 3 C H2' . . 3.495 2.750 2.750 2.750 . 0 0 "[ ]" 1
106 2 3 C H2' 2 4 A H8 . . 3.504 2.445 2.445 2.445 . 0 0 "[ ]" 1
107 2 3 C H3' 2 4 A H8 . 2.118 3.934 2.859 2.859 2.859 . 0 0 "[ ]" 1
108 2 3 C H5 2 4 A H8 . 3.200 5.943 5.123 5.123 5.123 . 0 0 "[ ]" 1
109 2 3 C H1' 2 4 A H8 . 3.173 5.893 4.997 4.997 4.997 . 0 0 "[ ]" 1
110 2 4 A H2' 2 4 A H8 . 2.239 4.158 3.873 3.873 3.873 . 0 0 "[ ]" 1
111 2 4 A H3' 2 4 A H8 . 2.239 4.158 2.699 2.699 2.699 . 0 0 "[ ]" 1
112 2 4 A H1' 2 4 A H8 . 2.873 5.336 3.843 3.843 3.843 . 0 0 "[ ]" 1
113 2 4 A H1' 2 4 A H3' . 2.782 5.167 3.795 3.795 3.795 . 0 0 "[ ]" 1
114 2 4 A H1' 2 5 A H8 . 3.263 6.000 4.434 4.434 4.434 . 0 0 "[ ]" 1
115 2 4 A H1' 2 4 A H2' . . 3.414 2.743 2.743 2.743 . 0 0 "[ ]" 1
116 2 4 A H2' 2 4 A H3' . . 3.248 2.404 2.404 2.404 . 0 0 "[ ]" 1
117 2 4 A H2' 2 5 A H8 . . 3.544 2.553 2.553 2.553 . 0 0 "[ ]" 1
118 2 4 A H3' 2 5 A H8 . 2.607 4.842 4.559 4.559 4.559 . 0 0 "[ ]" 1
119 2 5 A H2 2 5 A H2' . 3.444 6.000 4.572 4.572 4.572 . 0 0 "[ ]" 1
120 2 5 A H2 2 6 G H1' . 2.890 5.367 3.167 3.167 3.167 . 0 0 "[ ]" 1
121 2 5 A H2' 2 5 A H8 . 2.565 4.764 4.077 4.077 4.077 . 0 0 "[ ]" 1
122 2 5 A H3' 2 5 A H8 . 2.237 4.154 3.163 3.163 3.163 . 0 0 "[ ]" 1
123 2 5 A H8 2 6 G H8 . 2.976 5.526 4.169 4.169 4.169 . 0 0 "[ ]" 1
124 2 5 A H1' 2 5 A H8 . 2.592 4.813 3.772 3.772 3.772 . 0 0 "[ ]" 1
125 2 5 A H1' 2 5 A H2' . . 3.629 2.731 2.731 2.731 . 0 0 "[ ]" 1
126 2 5 A H2' 2 5 A H3' . . 3.212 2.405 2.405 2.405 . 0 0 "[ ]" 1
127 2 5 A H3' 2 6 G H8 . . 3.087 2.381 2.381 2.381 . 0 0 "[ ]" 1
128 2 5 A H1' 2 6 G H8 . 3.065 5.692 5.046 5.046 5.046 . 0 0 "[ ]" 1
129 2 5 A H2' 2 6 G H8 . 2.133 3.960 2.705 2.705 2.705 . 0 0 "[ ]" 1
130 2 6 G H8 2 7 C H5 . 2.550 4.736 4.317 4.317 4.317 . 0 0 "[ ]" 1
131 2 6 G H2' 2 6 G H8 . 2.633 4.889 3.924 3.924 3.924 . 0 0 "[ ]" 1
132 2 6 G H2' 2 7 C H5 . 2.434 4.520 3.676 3.676 3.676 . 0 0 "[ ]" 1
133 2 6 G H2' 2 7 C H6 . . 2.999 2.280 2.280 2.280 . 0 0 "[ ]" 1
134 2 6 G H2' 2 7 C H1' . 2.796 5.192 4.146 4.146 4.146 . 0 0 "[ ]" 1
135 2 6 G H3' 2 6 G H8 . . 3.596 2.865 2.865 2.865 . 0 0 "[ ]" 1
136 2 7 C H3' 2 7 C H5 . 2.207 4.099 4.193 4.193 4.193 0.094 1 0 "[ ]" 1
137 2 7 C H5 2 8 C H5 . 3.287 6.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
138 2 7 C H5 2 7 C H6 . . 3.287 2.369 2.369 2.369 . 0 0 "[ ]" 1
139 2 7 C H1' 2 7 C H6 . 2.694 5.003 3.697 3.697 3.697 . 0 0 "[ ]" 1
140 2 7 C H2' 2 7 C H6 . 2.039 3.786 3.593 3.593 3.593 . 0 0 "[ ]" 1
141 2 7 C H1' 2 7 C H2' . 2.056 3.819 2.736 2.736 2.736 . 0 0 "[ ]" 1
142 2 7 C H1' 2 8 C H6 . 2.615 4.857 4.777 4.777 4.777 . 0 0 "[ ]" 1
143 2 7 C H2' 2 8 C H6 . . 3.070 2.121 2.121 2.121 . 0 0 "[ ]" 1
144 2 7 C H3' 2 7 C H6 . . 2.958 2.309 2.309 2.309 . 0 0 "[ ]" 1
145 2 7 C H1' 2 7 C H3' . 2.151 3.994 3.780 3.780 3.780 . 0 0 "[ ]" 1
146 2 7 C H3' 2 8 C H6 . . 3.336 3.340 3.340 3.340 0.004 1 0 "[ ]" 1
147 2 7 C H2' 2 8 C H5 . 2.239 4.158 3.567 3.567 3.567 . 0 0 "[ ]" 1
148 2 7 C H3' 2 8 C H5 . 2.293 4.259 3.725 3.725 3.725 . 0 0 "[ ]" 1
149 2 8 C H5 2 8 C H6 . . 3.262 2.405 2.405 2.405 . 0 0 "[ ]" 1
150 2 8 C H1' 2 8 C H6 . 2.315 4.300 3.664 3.664 3.664 . 0 0 "[ ]" 1
151 2 8 C H1' 2 8 C H2' . . 3.344 2.748 2.748 2.748 . 0 0 "[ ]" 1
152 2 8 C H2' 2 9 U H6 . . 3.293 2.319 2.319 2.319 . 0 0 "[ ]" 1
153 2 8 C H3' 2 9 U H5 . 2.584 4.799 3.465 3.465 3.465 . 0 0 "[ ]" 1
154 2 9 U H3' 2 9 U H5 . 3.268 6.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
155 2 8 C H3' 2 9 U H6 . . 3.067 2.995 2.995 2.995 . 0 0 "[ ]" 1
156 2 9 U H5 2 9 U H6 . . 3.173 2.414 2.414 2.414 . 0 0 "[ ]" 1
157 2 9 U H1' 2 9 U H6 . 2.502 4.647 3.681 3.681 3.681 . 0 0 "[ ]" 1
158 2 8 C H2' 2 9 U H1' . 2.470 4.587 4.227 4.227 4.227 . 0 0 "[ ]" 1
159 2 9 U H1' 2 9 U H3' . 2.176 4.041 3.791 3.791 3.791 . 0 0 "[ ]" 1
160 2 9 U H2' 2 9 U H6 . 2.383 4.425 3.703 3.703 3.703 . 0 0 "[ ]" 1
161 2 9 U H1' 2 9 U H2' . 2.043 3.795 2.766 2.766 2.766 . 0 0 "[ ]" 1
162 2 9 U H3' 2 9 U H6 . . 3.479 2.603 2.603 2.603 . 0 0 "[ ]" 1
163 1 4 A H2 2 5 A H8 . 3.074 5.708 3.543 3.543 3.543 . 0 0 "[ ]" 1
164 1 5 A H2 2 5 A H1' . 2.417 4.490 2.849 2.849 2.849 . 0 0 "[ ]" 1
165 1 5 A H8 2 4 A H2 . 3.074 5.708 3.543 3.543 3.543 . 0 0 "[ ]" 1
166 1 5 A H1' 2 5 A H2 . 2.417 4.490 2.851 2.851 2.851 . 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 1.955 1.955 1.955 . 0 0 "[ ]" 2
2 1 1 G O6 2 8 C H41 . . 2.500 1.901 1.901 1.901 . 0 0 "[ ]" 2
3 1 1 G H21 2 8 C O2 . . 2.500 1.860 1.860 1.860 . 0 0 "[ ]" 2
4 1 2 G H1 2 7 C N3 . . 2.500 1.981 1.981 1.981 . 0 0 "[ ]" 2
5 1 2 G O6 2 7 C H41 . . 2.500 1.995 1.995 1.995 . 0 0 "[ ]" 2
6 1 2 G H21 2 7 C O2 . . 2.500 1.854 1.854 1.854 . 0 0 "[ ]" 2
7 1 3 C N3 2 6 G H1 . . 2.500 1.979 1.979 1.979 . 0 0 "[ ]" 2
8 1 3 C H41 2 6 G O6 . . 2.500 1.944 1.944 1.944 . 0 0 "[ ]" 2
9 1 3 C O2 2 6 G H21 . . 2.500 1.858 1.858 1.858 . 0 0 "[ ]" 2
10 1 6 G H1 2 3 C N3 . . 2.500 1.979 1.979 1.979 . 0 0 "[ ]" 2
11 1 6 G O6 2 3 C H41 . . 2.500 1.944 1.944 1.944 . 0 0 "[ ]" 2
12 1 6 G H21 2 3 C O2 . . 2.500 1.860 1.860 1.860 . 0 0 "[ ]" 2
13 1 7 C N3 2 2 G H1 . . 2.500 1.982 1.982 1.982 . 0 0 "[ ]" 2
14 1 7 C H41 2 2 G O6 . . 2.500 1.997 1.997 1.997 . 0 0 "[ ]" 2
15 1 7 C O2 2 2 G H21 . . 2.500 1.856 1.856 1.856 . 0 0 "[ ]" 2
16 1 8 C N3 2 1 G H1 . . 2.500 1.955 1.955 1.955 . 0 0 "[ ]" 2
17 1 8 C H41 2 1 G O6 . . 2.500 1.901 1.901 1.901 . 0 0 "[ ]" 2
18 1 8 C O2 2 1 G H21 . . 2.500 1.858 1.858 1.858 . 0 0 "[ ]" 2
stop_
save_
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