NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388503 |
1n66   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1n66
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 230
_Distance_constraint_stats_list.Viol_count 1214
_Distance_constraint_stats_list.Viol_total 3705.350
_Distance_constraint_stats_list.Viol_max 0.978
_Distance_constraint_stats_list.Viol_rms 0.1185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0403
_Distance_constraint_stats_list.Viol_average_violations_only 0.1526
_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 0.161 0.042 7 0 "[ . 1 . 2]"
1 2 G 0.697 0.063 9 0 "[ . 1 . 2]"
1 3 A 2.288 0.115 1 0 "[ . 1 . 2]"
1 4 C 24.472 0.834 19 20 [******-***********+*]
1 5 C 6.479 0.178 7 0 "[ . 1 . 2]"
1 6 U 15.825 0.405 13 0 "[ . 1 . 2]"
1 7 C 11.037 0.223 9 0 "[ . 1 . 2]"
1 8 U 9.150 0.216 20 0 "[ . 1 . 2]"
1 9 C 13.786 0.234 8 0 "[ . 1 . 2]"
1 10 G 2.599 0.171 2 0 "[ . 1 . 2]"
1 11 A 9.766 0.775 12 11 "[ ** * * 1*+* .**- *]"
1 12 A 9.473 0.839 10 8 "[ .**-*+ *. **]"
1 13 A 11.174 0.458 12 0 "[ . 1 . 2]"
1 14 G 2.872 0.120 8 0 "[ . 1 . 2]"
1 15 A 2.012 0.120 8 0 "[ . 1 . 2]"
1 16 G 1.471 0.115 12 0 "[ . 1 . 2]"
1 17 U 11.970 0.416 2 0 "[ . 1 . 2]"
1 18 U 13.169 0.497 13 0 "[ . 1 . 2]"
1 19 G 0.295 0.062 11 0 "[ . 1 . 2]"
1 20 U 29.814 0.978 17 20 [*********-******+***]
1 21 C 9.630 0.399 18 0 "[ . 1 . 2]"
1 22 C 18.050 0.552 6 18 "[*****+-*** ***.*****]"
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 C H1' 1 5 C H6 4.400 3.500 5.300 4.978 4.889 5.045 . 0 0 "[ . 1 . 2]" 1
2 1 5 C H1' 1 6 U H6 5.050 4.050 6.050 4.214 4.013 4.327 0.037 13 0 "[ . 1 . 2]" 1
3 1 6 U H1' 1 7 C H6 5.400 4.300 6.500 5.529 5.475 5.567 . 0 0 "[ . 1 . 2]" 1
4 1 7 C H1' 1 8 U H6 3.700 3.000 4.400 4.399 4.347 4.460 0.060 13 0 "[ . 1 . 2]" 1
5 1 8 U H1' 1 9 C H6 3.750 2.850 4.650 4.839 4.820 4.866 0.216 20 0 "[ . 1 . 2]" 1
6 1 14 G H1' 1 15 A H8 3.300 2.600 4.000 4.086 4.062 4.120 0.120 8 0 "[ . 1 . 2]" 1
7 1 15 A H1' 1 16 G H8 5.000 4.000 6.000 4.441 4.313 4.563 . 0 0 "[ . 1 . 2]" 1
8 1 17 U H1' 1 18 U H6 4.600 3.500 5.700 4.922 4.581 5.478 . 0 0 "[ . 1 . 2]" 1
9 1 16 G H1' 1 17 U H6 4.400 3.300 5.500 4.919 4.703 5.183 . 0 0 "[ . 1 . 2]" 1
10 1 18 U H1' 1 19 G H8 4.200 3.200 5.200 4.517 4.045 5.228 0.028 2 0 "[ . 1 . 2]" 1
11 1 19 G H1' 1 20 U H6 4.050 2.950 5.150 3.368 2.945 3.594 0.005 17 0 "[ . 1 . 2]" 1
12 1 20 U H1' 1 21 C H6 4.150 3.250 5.050 4.662 4.587 4.798 . 0 0 "[ . 1 . 2]" 1
13 1 21 C H1' 1 22 C H6 4.600 3.700 5.500 5.239 5.150 5.413 . 0 0 "[ . 1 . 2]" 1
14 1 3 A H2 1 21 C H1' 3.800 3.000 4.600 3.212 2.979 4.027 0.021 11 0 "[ . 1 . 2]" 1
15 1 3 A H2 1 4 C H1' 3.600 2.900 4.300 3.926 3.717 4.276 . 0 0 "[ . 1 . 2]" 1
16 1 9 C H1' 1 15 A H2 3.800 3.000 4.600 3.621 3.407 3.964 . 0 0 "[ . 1 . 2]" 1
17 1 15 A H2 1 16 G H1' 3.000 2.400 3.600 3.217 3.001 3.391 . 0 0 "[ . 1 . 2]" 1
18 1 1 G H2' 1 2 G H8 2.700 2.200 3.200 2.350 2.158 3.051 0.042 7 0 "[ . 1 . 2]" 1
19 1 2 G H2' 1 3 A H8 2.100 . 2.500 2.519 2.450 2.563 0.063 9 0 "[ . 1 . 2]" 1
20 1 3 A H2' 1 4 C H6 2.500 . 3.000 2.211 2.067 2.404 . 0 0 "[ . 1 . 2]" 1
21 1 4 C H2' 1 5 C H6 3.250 2.550 3.950 2.523 2.480 2.601 0.070 4 0 "[ . 1 . 2]" 1
22 1 5 C H2' 1 6 U H6 3.150 2.550 3.750 2.481 2.420 2.540 0.130 17 0 "[ . 1 . 2]" 1
23 1 6 U H2' 1 7 C H6 3.600 2.900 4.300 2.836 2.781 2.890 0.119 5 0 "[ . 1 . 2]" 1
24 1 7 C H2' 1 8 U H6 2.650 2.050 3.250 2.057 1.987 2.141 0.063 13 0 "[ . 1 . 2]" 1
25 1 8 U H2' 1 9 C H6 3.050 2.350 3.750 2.240 2.204 2.273 0.146 15 0 "[ . 1 . 2]" 1
26 1 14 G H2' 1 15 A H8 1.600 . 1.900 1.910 1.860 1.941 0.041 11 0 "[ . 1 . 2]" 1
27 1 15 A H2' 1 16 G H8 2.000 . 2.400 1.996 1.911 2.116 . 0 0 "[ . 1 . 2]" 1
28 1 16 G H2' 1 17 U H6 2.850 2.050 3.650 2.294 2.130 2.534 . 0 0 "[ . 1 . 2]" 1
29 1 17 U H2' 1 18 U H6 2.750 2.050 3.450 2.341 2.043 2.790 0.007 4 0 "[ . 1 . 2]" 1
30 1 18 U H2' 1 19 G H8 2.500 . 3.200 2.126 1.924 2.627 . 0 0 "[ . 1 . 2]" 1
31 1 19 G H2' 1 20 U H6 3.300 2.600 4.000 2.959 2.839 3.152 . 0 0 "[ . 1 . 2]" 1
32 1 20 U H2' 1 21 C H6 2.800 . 3.700 1.928 1.885 2.015 0.015 5 0 "[ . 1 . 2]" 1
33 1 21 C H2' 1 22 C H6 3.250 2.550 3.950 2.598 2.538 2.751 0.012 6 0 "[ . 1 . 2]" 1
34 1 6 U H2' 1 7 C H5 4.400 3.400 5.400 4.244 4.108 4.413 . 0 0 "[ . 1 . 2]" 1
35 1 16 G H2' 1 17 U H5 4.400 3.400 5.400 3.932 3.760 4.096 . 0 0 "[ . 1 . 2]" 1
36 1 17 U H2' 1 18 U H5 3.700 2.700 4.700 3.035 2.684 3.250 0.016 17 0 "[ . 1 . 2]" 1
37 1 5 C H6 1 6 U H5 5.000 4.000 6.000 5.294 4.838 5.626 . 0 0 "[ . 1 . 2]" 1
38 1 6 U H6 1 7 C H5 4.400 3.500 5.300 4.545 4.174 4.886 . 0 0 "[ . 1 . 2]" 1
39 1 8 U H6 1 9 C H5 5.500 4.300 6.700 4.281 4.246 4.371 0.054 7 0 "[ . 1 . 2]" 1
40 1 7 C H6 1 8 U H6 5.500 4.300 6.700 5.183 5.072 5.371 . 0 0 "[ . 1 . 2]" 1
41 1 17 U H5 1 18 U H5 . 4.000 5.000 4.282 4.040 4.547 . 0 0 "[ . 1 . 2]" 1
42 1 18 U H6 1 19 G H8 4.500 3.600 5.400 4.270 3.579 5.221 0.021 16 0 "[ . 1 . 2]" 1
43 1 18 U H5 1 19 G H8 5.000 4.000 6.000 5.002 4.258 6.062 0.062 11 0 "[ . 1 . 2]" 1
44 1 20 U H5 1 21 C H5 4.500 3.600 5.400 5.055 4.570 5.329 . 0 0 "[ . 1 . 2]" 1
45 1 21 C H5 1 22 C H5 4.400 3.500 5.300 3.915 3.473 4.155 0.027 18 0 "[ . 1 . 2]" 1
46 1 21 C H5 1 22 C H6 5.500 4.300 6.700 5.535 4.656 5.862 . 0 0 "[ . 1 . 2]" 1
47 1 16 G H8 1 17 U H6 4.400 3.400 5.400 4.414 4.207 4.635 . 0 0 "[ . 1 . 2]" 1
48 1 5 C H5 1 6 U H5 5.000 4.000 6.000 5.840 5.408 6.069 0.069 18 0 "[ . 1 . 2]" 1
49 1 4 C H3' 1 5 C H6 3.500 2.800 4.200 2.725 2.641 2.843 0.159 8 0 "[ . 1 . 2]" 1
50 1 5 C H3' 1 6 U H6 3.800 3.000 4.600 4.335 4.229 4.457 . 0 0 "[ . 1 . 2]" 1
51 1 6 U H3' 1 7 C H6 3.950 2.950 4.950 2.997 2.872 3.188 0.078 13 0 "[ . 1 . 2]" 1
52 1 7 C H3' 1 8 U H6 3.700 2.900 4.500 3.893 3.718 4.039 . 0 0 "[ . 1 . 2]" 1
53 1 8 U H3' 1 9 C H6 3.150 2.550 3.750 3.264 3.073 3.442 . 0 0 "[ . 1 . 2]" 1
54 1 17 U H3' 1 18 U H6 4.200 3.200 5.200 3.970 3.745 4.140 . 0 0 "[ . 1 . 2]" 1
55 1 18 U H3' 1 19 G H8 3.500 2.800 4.200 3.798 3.133 4.232 0.032 11 0 "[ . 1 . 2]" 1
56 1 20 U H3' 1 21 C H6 3.850 3.050 4.650 3.364 3.151 3.536 . 0 0 "[ . 1 . 2]" 1
57 1 6 U H1' 1 18 U H1' 5.000 3.800 6.200 3.858 3.686 4.797 0.114 4 0 "[ . 1 . 2]" 1
58 1 3 A H1' 1 3 A H8 3.800 3.000 4.600 3.884 3.872 3.891 . 0 0 "[ . 1 . 2]" 1
59 1 4 C H1' 1 4 C H6 3.800 3.000 4.600 3.534 3.511 3.550 . 0 0 "[ . 1 . 2]" 1
60 1 6 U H1' 1 6 U H6 3.200 2.600 3.800 3.569 3.542 3.615 . 0 0 "[ . 1 . 2]" 1
61 1 7 C H1' 1 7 C H6 3.600 2.900 4.300 3.712 3.696 3.727 . 0 0 "[ . 1 . 2]" 1
62 1 8 U H1' 1 8 U H6 3.850 3.050 4.650 3.655 3.622 3.676 . 0 0 "[ . 1 . 2]" 1
63 1 15 A H1' 1 15 A H8 3.700 3.000 4.400 3.775 3.755 3.788 . 0 0 "[ . 1 . 2]" 1
64 1 16 G H1' 1 16 G H8 3.700 3.000 4.400 3.766 3.735 3.780 . 0 0 "[ . 1 . 2]" 1
65 1 17 U H1' 1 17 U H6 3.700 3.000 4.400 3.662 3.619 3.698 . 0 0 "[ . 1 . 2]" 1
66 1 20 U H1' 1 20 U H6 3.800 3.000 4.600 3.391 3.350 3.457 . 0 0 "[ . 1 . 2]" 1
67 1 21 C H1' 1 21 C H6 3.500 2.800 4.200 3.629 3.591 3.652 . 0 0 "[ . 1 . 2]" 1
68 1 22 C H1' 1 22 C H6 3.000 2.400 3.600 3.682 3.636 3.701 0.101 11 0 "[ . 1 . 2]" 1
69 1 1 G H2' 1 1 G H8 3.900 3.100 4.700 4.182 3.437 4.485 . 0 0 "[ . 1 . 2]" 1
70 1 2 G H2' 1 2 G H8 3.200 2.600 3.800 3.683 3.148 3.836 0.036 2 0 "[ . 1 . 2]" 1
71 1 3 A H2' 1 3 A H8 2.600 2.100 3.100 3.189 3.164 3.215 0.115 1 0 "[ . 1 . 2]" 1
72 1 4 C H2' 1 4 C H6 4.600 3.700 5.500 4.008 3.972 4.043 . 0 0 "[ . 1 . 2]" 1
73 1 5 C H2' 1 5 C H6 3.700 3.000 4.400 3.893 3.797 3.997 . 0 0 "[ . 1 . 2]" 1
74 1 7 C H2' 1 7 C H6 3.100 2.500 3.700 3.310 3.222 3.382 . 0 0 "[ . 1 . 2]" 1
75 1 8 U H2' 1 8 U H6 3.300 2.600 4.000 3.567 3.467 3.697 . 0 0 "[ . 1 . 2]" 1
76 1 16 G H2' 1 16 G H8 3.200 2.600 3.800 3.874 3.844 3.915 0.115 12 0 "[ . 1 . 2]" 1
77 1 19 G H2' 1 19 G H8 2.600 . 3.300 3.128 2.546 3.270 . 0 0 "[ . 1 . 2]" 1
78 1 20 U H2' 1 20 U H6 4.200 3.400 5.000 4.160 4.074 4.220 . 0 0 "[ . 1 . 2]" 1
79 1 21 C H2' 1 21 C H6 4.700 3.800 5.600 3.739 3.694 3.822 0.106 7 0 "[ . 1 . 2]" 1
80 1 22 C H2' 1 22 C H6 3.700 2.900 4.500 3.350 3.258 3.597 . 0 0 "[ . 1 . 2]" 1
81 1 4 C H3' 1 4 C H6 3.700 3.000 4.400 2.948 2.908 2.981 0.092 16 0 "[ . 1 . 2]" 1
82 1 5 C H3' 1 5 C H6 4.400 3.500 5.300 3.383 3.322 3.487 0.178 7 0 "[ . 1 . 2]" 1
83 1 6 U H3' 1 6 U H6 3.800 3.000 4.600 2.920 2.857 2.964 0.143 17 0 "[ . 1 . 2]" 1
84 1 7 C H3' 1 7 C H6 2.900 2.300 3.500 2.264 2.232 2.291 0.068 7 0 "[ . 1 . 2]" 1
85 1 8 U H3' 1 8 U H6 2.400 . 2.900 2.295 2.125 2.420 . 0 0 "[ . 1 . 2]" 1
86 1 16 G H3' 1 16 G H8 2.800 2.200 3.400 3.008 2.833 3.107 . 0 0 "[ . 1 . 2]" 1
87 1 17 U H3' 1 17 U H6 2.500 . 3.000 2.583 2.345 2.835 . 0 0 "[ . 1 . 2]" 1
88 1 18 U H3' 1 18 U H6 2.800 2.200 3.400 2.555 2.298 2.910 . 0 0 "[ . 1 . 2]" 1
89 1 19 G H3' 1 19 G H8 4.200 3.400 5.000 4.700 4.281 4.826 . 0 0 "[ . 1 . 2]" 1
90 1 20 U H3' 1 20 U H6 3.000 . 4.000 3.683 3.499 3.792 . 0 0 "[ . 1 . 2]" 1
91 1 21 C H3' 1 21 C H6 3.100 2.400 3.800 2.594 2.524 2.728 . 0 0 "[ . 1 . 2]" 1
92 1 4 C Q5' 1 4 C H6 3.750 2.950 4.550 2.207 2.116 2.315 0.834 19 20 [******-***********+*] 1
93 1 5 C Q5' 1 5 C H6 3.700 3.000 4.400 3.347 3.129 3.534 . 0 0 "[ . 1 . 2]" 1
94 1 6 U Q5' 1 6 U H6 4.300 3.400 4.300 3.133 2.995 3.391 0.405 13 0 "[ . 1 . 2]" 1
95 1 7 C Q5' 1 7 C H6 4.000 3.100 4.600 3.390 3.286 3.445 . 0 0 "[ . 1 . 2]" 1
96 1 8 U Q5' 1 8 U H6 3.650 2.850 3.950 3.031 2.924 3.134 . 0 0 "[ . 1 . 2]" 1
97 1 17 U Q5' 1 17 U H6 4.600 3.700 4.800 3.310 3.284 3.353 0.416 2 0 "[ . 1 . 2]" 1
98 1 18 U Q5' 1 18 U H6 . 4.000 4.600 3.569 3.503 3.618 0.497 13 0 "[ . 1 . 2]" 1
99 1 19 G Q5' 1 19 G H8 2.600 . 3.400 2.607 2.424 3.184 . 0 0 "[ . 1 . 2]" 1
100 1 20 U Q5' 1 20 U H6 . 4.300 5.100 3.372 3.322 3.404 0.978 17 20 [*********-******+***] 1
101 1 21 C Q5' 1 21 C H6 3.950 3.450 4.750 3.130 3.051 3.208 0.399 18 0 "[ . 1 . 2]" 1
102 1 22 C Q5' 1 22 C H6 4.650 3.650 5.200 3.359 3.319 3.411 0.331 20 0 "[ . 1 . 2]" 1
103 1 1 G H1' 1 1 G H2' 2.900 2.300 3.500 2.765 2.705 3.007 . 0 0 "[ . 1 . 2]" 1
104 1 2 G H1' 1 2 G H2' 2.600 2.100 3.100 2.723 2.707 2.752 . 0 0 "[ . 1 . 2]" 1
105 1 3 A H1' 1 3 A H2' 2.500 . 3.000 2.763 2.748 2.776 . 0 0 "[ . 1 . 2]" 1
106 1 4 C H1' 1 4 C H2' 2.300 . 2.800 2.724 2.716 2.733 . 0 0 "[ . 1 . 2]" 1
107 1 5 C H1' 1 5 C H2' 2.300 . 2.800 2.804 2.774 2.818 0.018 12 0 "[ . 1 . 2]" 1
108 1 6 U H1' 1 6 U H2' 2.700 . 3.400 2.751 2.732 2.786 . 0 0 "[ . 1 . 2]" 1
109 1 7 C H1' 1 7 C H2' 2.100 . 2.500 2.709 2.689 2.723 0.223 9 0 "[ . 1 . 2]" 1
110 1 8 U H1' 1 8 U H2' 2.200 . 2.600 2.679 2.673 2.694 0.094 17 0 "[ . 1 . 2]" 1
111 1 16 G H1' 1 16 G H2' 2.300 . 2.800 2.759 2.732 2.769 . 0 0 "[ . 1 . 2]" 1
112 1 17 U H1' 1 17 U H2' 2.500 . 3.000 2.770 2.760 2.780 . 0 0 "[ . 1 . 2]" 1
113 1 18 U H1' 1 18 U H2' 3.800 3.000 4.600 2.840 2.822 2.848 0.178 1 0 "[ . 1 . 2]" 1
114 1 19 G H1' 1 19 G H2' 3.600 2.900 4.300 3.020 3.016 3.023 . 0 0 "[ . 1 . 2]" 1
115 1 20 U H1' 1 20 U H2' 2.400 . 2.900 2.799 2.788 2.810 . 0 0 "[ . 1 . 2]" 1
116 1 21 C H1' 1 21 C H2' 2.400 . 2.900 2.735 2.723 2.740 . 0 0 "[ . 1 . 2]" 1
117 1 22 C H1' 1 22 C H2' 2.400 . 2.900 2.759 2.741 2.780 . 0 0 "[ . 1 . 2]" 1
118 1 4 C H1' 1 4 C H4' 3.600 2.900 4.300 3.391 3.355 3.432 . 0 0 "[ . 1 . 2]" 1
119 1 5 C H1' 1 5 C H4' 3.000 2.400 3.600 3.266 3.189 3.385 . 0 0 "[ . 1 . 2]" 1
120 1 6 U H1' 1 6 U H4' 3.200 2.600 3.800 3.353 3.248 3.416 . 0 0 "[ . 1 . 2]" 1
121 1 7 C H1' 1 7 C H4' 3.050 2.450 3.650 3.299 3.273 3.348 . 0 0 "[ . 1 . 2]" 1
122 1 8 U H1' 1 8 U H4' 3.000 2.400 3.600 3.428 3.384 3.463 . 0 0 "[ . 1 . 2]" 1
123 1 16 G H1' 1 16 G H4' 3.800 3.000 4.600 3.299 3.244 3.403 . 0 0 "[ . 1 . 2]" 1
124 1 17 U H1' 1 17 U H4' 3.450 2.650 4.250 3.276 3.245 3.302 . 0 0 "[ . 1 . 2]" 1
125 1 18 U H1' 1 18 U H4' 3.350 2.650 4.050 3.171 3.112 3.226 . 0 0 "[ . 1 . 2]" 1
126 1 19 G H1' 1 19 G H4' 3.800 3.000 4.600 3.417 3.352 3.541 . 0 0 "[ . 1 . 2]" 1
127 1 20 U H1' 1 20 U H4' 3.200 2.600 3.800 3.081 3.018 3.127 . 0 0 "[ . 1 . 2]" 1
128 1 21 C H1' 1 21 C H4' 3.400 2.700 4.100 3.377 3.345 3.419 . 0 0 "[ . 1 . 2]" 1
129 1 22 C H1' 1 22 C H4' 3.600 2.800 4.400 3.279 3.244 3.321 . 0 0 "[ . 1 . 2]" 1
130 1 4 C H3' 1 4 C Q5' 3.350 2.550 3.350 2.345 2.328 2.358 0.222 6 0 "[ . 1 . 2]" 1
131 1 6 U H3' 1 6 U Q5' 3.100 3.000 3.700 2.770 2.692 2.804 0.308 17 0 "[ . 1 . 2]" 1
132 1 7 C H3' 1 7 C Q5' 2.800 2.300 3.400 2.724 2.699 2.744 . 0 0 "[ . 1 . 2]" 1
133 1 8 U H3' 1 8 U Q5' 2.900 2.300 3.500 2.793 2.743 2.855 . 0 0 "[ . 1 . 2]" 1
134 1 20 U H3' 1 20 U Q5' 3.050 2.550 3.250 2.274 2.252 2.305 0.298 2 0 "[ . 1 . 2]" 1
135 1 21 C H3' 1 21 C Q5' 3.500 2.800 3.500 2.767 2.735 2.793 0.065 15 0 "[ . 1 . 2]" 1
136 1 22 C H3' 1 22 C Q5' 4.300 3.400 5.200 2.881 2.848 2.909 0.552 6 18 "[*****+-*** ***.*****]" 1
137 1 4 C H4' 1 4 C Q5' 2.900 2.300 3.500 2.444 2.428 2.454 . 0 0 "[ . 1 . 2]" 1
138 1 5 C H4' 1 5 C Q5' 2.700 2.200 3.200 2.190 2.187 2.193 0.013 9 0 "[ . 1 . 2]" 1
139 1 7 C H4' 1 7 C Q5' 2.250 . 2.750 2.190 2.189 2.191 . 0 0 "[ . 1 . 2]" 1
140 1 8 U H4' 1 8 U Q5' 2.100 2.100 2.500 2.188 2.185 2.191 . 0 0 "[ . 1 . 2]" 1
141 1 17 U H4' 1 17 U Q5' 2.300 . 2.800 2.189 2.187 2.193 . 0 0 "[ . 1 . 2]" 1
142 1 20 U H4' 1 20 U Q5' 2.800 2.200 3.200 2.342 2.322 2.355 . 0 0 "[ . 1 . 2]" 1
143 1 21 C H4' 1 21 C Q5' 2.800 2.200 3.100 2.189 2.186 2.192 0.014 7 0 "[ . 1 . 2]" 1
144 1 22 C H4' 1 22 C Q5' 2.500 2.200 3.000 2.192 2.187 2.197 0.013 19 0 "[ . 1 . 2]" 1
145 1 4 C H3' 1 4 C H4' 2.400 . 2.900 3.016 3.011 3.020 0.120 18 0 "[ . 1 . 2]" 1
146 1 6 U H3' 1 6 U H4' 2.500 . 3.000 3.019 3.014 3.023 0.023 1 0 "[ . 1 . 2]" 1
147 1 7 C H3' 1 7 C H4' 2.550 . 3.150 3.028 3.024 3.032 . 0 0 "[ . 1 . 2]" 1
148 1 8 U H3' 1 8 U H4' 2.500 . 3.000 3.023 3.020 3.028 0.028 1 0 "[ . 1 . 2]" 1
149 1 18 U H3' 1 18 U H4' 2.500 . 3.000 3.018 3.010 3.026 0.026 1 0 "[ . 1 . 2]" 1
150 1 20 U H3' 1 20 U H4' 2.800 2.200 3.400 3.032 3.029 3.035 . 0 0 "[ . 1 . 2]" 1
151 1 21 C H3' 1 21 C H4' 2.500 . 3.000 3.025 3.022 3.028 0.028 6 0 "[ . 1 . 2]" 1
152 1 22 C H3' 1 22 C H4' 2.800 2.200 3.400 3.057 3.053 3.060 . 0 0 "[ . 1 . 2]" 1
153 1 4 C H1' 1 4 C H3' 4.100 3.200 5.000 3.774 3.749 3.790 . 0 0 "[ . 1 . 2]" 1
154 1 5 C H1' 1 5 C H3' 3.700 3.000 4.400 3.894 3.880 3.910 . 0 0 "[ . 1 . 2]" 1
155 1 7 C H1' 1 7 C H3' 4.050 3.150 4.950 3.827 3.813 3.852 . 0 0 "[ . 1 . 2]" 1
156 1 8 U H1' 1 8 U H3' 3.600 2.900 4.300 3.768 3.741 3.793 . 0 0 "[ . 1 . 2]" 1
157 1 17 U H1' 1 17 U H3' 4.100 3.200 5.000 3.859 3.837 3.877 . 0 0 "[ . 1 . 2]" 1
158 1 18 U H1' 1 18 U H3' 3.800 3.000 4.600 3.887 3.854 3.898 . 0 0 "[ . 1 . 2]" 1
159 1 20 U H1' 1 20 U H3' 3.350 2.650 4.050 3.849 3.832 3.859 . 0 0 "[ . 1 . 2]" 1
160 1 21 C H1' 1 21 C H3' 3.400 2.600 4.200 3.797 3.785 3.817 . 0 0 "[ . 1 . 2]" 1
161 1 4 C H2' 1 4 C H3' 2.750 2.150 3.350 2.378 2.367 2.392 . 0 0 "[ . 1 . 2]" 1
162 1 5 C H2' 1 5 C H3' 2.600 2.100 3.100 2.325 2.312 2.335 . 0 0 "[ . 1 . 2]" 1
163 1 6 U H2' 1 6 U H3' 3.000 2.300 3.700 2.355 2.346 2.362 . 0 0 "[ . 1 . 2]" 1
164 1 7 C H2' 1 7 C H3' 3.300 2.600 3.600 2.400 2.391 2.406 0.209 9 0 "[ . 1 . 2]" 1
165 1 8 U H2' 1 8 U H3' 2.900 2.300 3.500 2.372 2.358 2.379 . 0 0 "[ . 1 . 2]" 1
166 1 17 U H2' 1 17 U H3' 3.300 2.600 4.000 2.393 2.387 2.401 0.213 6 0 "[ . 1 . 2]" 1
167 1 18 U H2' 1 18 U H3' 2.800 2.200 3.400 2.335 2.325 2.344 . 0 0 "[ . 1 . 2]" 1
168 1 20 U H2' 1 20 U H3' 3.400 2.700 4.100 2.415 2.409 2.426 0.291 8 0 "[ . 1 . 2]" 1
169 1 21 C H2' 1 21 C H3' 3.000 2.400 3.600 2.377 2.368 2.385 0.032 13 0 "[ . 1 . 2]" 1
170 1 20 U H3' 1 20 U H5 5.300 4.200 6.400 5.301 5.167 5.414 . 0 0 "[ . 1 . 2]" 1
171 1 21 C H3' 1 21 C H5 3.800 3.000 4.600 4.462 4.416 4.585 . 0 0 "[ . 1 . 2]" 1
172 1 9 C H6 1 10 G H8 4.100 3.300 4.900 3.762 3.478 3.949 . 0 0 "[ . 1 . 2]" 1
173 1 9 C H5 1 10 G H8 5.500 4.000 7.000 4.303 3.943 4.578 0.057 7 0 "[ . 1 . 2]" 1
174 1 9 C H2' 1 10 G H1' 4.500 3.000 6.000 3.838 3.310 4.161 . 0 0 "[ . 1 . 2]" 1
175 1 9 C H1' 1 10 G H8 4.700 3.800 5.600 4.789 4.645 5.049 . 0 0 "[ . 1 . 2]" 1
176 1 9 C H2' 1 10 G H8 2.400 . 3.000 2.089 1.913 2.407 . 0 0 "[ . 1 . 2]" 1
177 1 9 C H3' 1 10 G H8 4.500 3.000 6.000 2.881 2.829 2.932 0.171 2 0 "[ . 1 . 2]" 1
178 1 10 G H1' 1 12 A H8 5.000 3.500 6.500 5.463 4.901 6.159 . 0 0 "[ . 1 . 2]" 1
179 1 10 G H2' 1 12 A H8 3.500 . 5.000 3.856 2.999 4.766 . 0 0 "[ . 1 . 2]" 1
180 1 11 A H1' 1 12 A H8 5.000 4.100 5.900 4.935 4.654 5.175 . 0 0 "[ . 1 . 2]" 1
181 1 11 A H2 1 12 A H1' 2.900 2.300 3.500 3.088 2.915 3.370 . 0 0 "[ . 1 . 2]" 1
182 1 11 A H2' 1 12 A H8 2.600 . 3.200 2.425 2.215 2.813 . 0 0 "[ . 1 . 2]" 1
183 1 11 A H3' 1 12 A H8 3.000 2.500 3.500 2.574 2.456 2.915 0.044 1 0 "[ . 1 . 2]" 1
184 1 11 A H2' 1 12 A H1' 4.000 3.100 4.900 3.483 3.121 3.781 . 0 0 "[ . 1 . 2]" 1
185 1 11 A H8 1 12 A H8 4.100 3.300 4.900 4.298 3.684 4.812 . 0 0 "[ . 1 . 2]" 1
186 1 12 A H2 1 13 A H1' 3.300 2.900 4.000 4.028 3.815 4.063 0.063 4 0 "[ . 1 . 2]" 1
187 1 12 A H2' 1 13 A H1' 3.600 3.100 4.300 3.667 3.345 4.046 . 0 0 "[ . 1 . 2]" 1
188 1 12 A H1' 1 13 A H8 5.100 4.100 6.100 5.443 5.186 5.650 . 0 0 "[ . 1 . 2]" 1
189 1 12 A H2' 1 13 A H8 2.600 2.100 3.100 2.896 2.459 3.182 0.082 11 0 "[ . 1 . 2]" 1
190 1 12 A H3' 1 13 A H8 2.900 2.300 3.500 2.397 2.194 2.735 0.106 16 0 "[ . 1 . 2]" 1
191 1 12 A H8 1 13 A H8 5.400 4.300 6.500 4.734 4.256 5.246 0.044 5 0 "[ . 1 . 2]" 1
192 1 13 A H8 1 14 G H8 4.100 3.300 4.900 3.816 3.574 4.000 . 0 0 "[ . 1 . 2]" 1
193 1 13 A H1' 1 14 G H8 5.500 4.000 7.000 5.918 5.816 6.107 . 0 0 "[ . 1 . 2]" 1
194 1 13 A H2' 1 14 G H1' 3.700 3.000 4.400 3.025 2.973 3.100 0.027 19 0 "[ . 1 . 2]" 1
195 1 13 A H2' 1 14 G H8 4.100 3.300 4.900 3.612 3.468 3.828 . 0 0 "[ . 1 . 2]" 1
196 1 13 A H3' 1 14 G H8 3.000 2.400 3.600 2.456 2.339 2.662 0.061 12 0 "[ . 1 . 2]" 1
197 1 13 A H2 1 14 G H1' 4.800 3.800 5.800 5.216 5.028 5.361 . 0 0 "[ . 1 . 2]" 1
198 1 13 A H8 1 14 G H1' 5.500 4.000 7.000 4.477 4.275 4.696 . 0 0 "[ . 1 . 2]" 1
199 1 9 C Q5' 1 9 C H6 3.400 2.700 4.100 3.223 3.104 3.331 . 0 0 "[ . 1 . 2]" 1
200 1 9 C H1' 1 9 C H6 3.600 2.900 4.300 3.688 3.679 3.700 . 0 0 "[ . 1 . 2]" 1
201 1 9 C H2' 1 9 C H5 3.600 2.900 4.300 4.508 4.468 4.534 0.234 8 0 "[ . 1 . 2]" 1
202 1 9 C H3' 1 9 C H5 3.400 2.700 4.100 4.101 4.055 4.167 0.067 2 0 "[ . 1 . 2]" 1
203 1 9 C H2' 1 9 C H6 2.800 2.200 3.400 3.118 3.073 3.168 . 0 0 "[ . 1 . 2]" 1
204 1 9 C H3' 1 9 C H6 2.600 2.100 3.100 2.124 2.056 2.190 0.044 9 0 "[ . 1 . 2]" 1
205 1 10 G H1' 1 10 G H8 4.200 3.400 5.000 3.767 3.646 3.832 . 0 0 "[ . 1 . 2]" 1
206 1 10 G H2' 1 10 G H8 3.500 2.500 4.500 3.888 3.651 4.246 . 0 0 "[ . 1 . 2]" 1
207 1 10 G H3' 1 10 G H8 3.000 2.400 3.600 2.851 2.611 3.195 . 0 0 "[ . 1 . 2]" 1
208 1 11 A Q5' 1 11 A H8 3.800 3.000 4.600 2.685 2.225 3.151 0.775 12 11 "[ ** * * 1*+* .**- *]" 1
209 1 11 A H4' 1 11 A H8 3.400 2.700 4.100 4.215 4.142 4.274 0.174 3 0 "[ . 1 . 2]" 1
210 1 11 A H1' 1 11 A H2 4.500 3.600 5.400 4.695 4.585 4.828 . 0 0 "[ . 1 . 2]" 1
211 1 11 A H1' 1 11 A H8 3.300 2.600 4.000 3.756 3.667 3.822 . 0 0 "[ . 1 . 2]" 1
212 1 11 A H2' 1 11 A H8 3.600 2.900 4.300 3.896 3.680 4.096 . 0 0 "[ . 1 . 2]" 1
213 1 11 A H3' 1 11 A H8 3.200 2.600 3.800 3.014 2.824 3.469 . 0 0 "[ . 1 . 2]" 1
214 1 12 A Q5' 1 12 A H8 4.000 3.200 4.100 2.847 2.361 3.366 0.839 10 8 "[ .**-*+ *. **]" 1
215 1 12 A H1' 1 12 A H2 4.700 3.800 5.600 4.700 4.564 4.831 . 0 0 "[ . 1 . 2]" 1
216 1 12 A H1' 1 12 A H8 3.500 2.800 4.200 3.753 3.674 3.834 . 0 0 "[ . 1 . 2]" 1
217 1 12 A H2' 1 12 A H8 3.600 2.900 4.300 3.924 3.705 4.142 . 0 0 "[ . 1 . 2]" 1
218 1 12 A H3' 1 12 A H8 2.900 2.300 3.500 3.227 2.770 3.555 0.055 11 0 "[ . 1 . 2]" 1
219 1 12 A H4' 1 12 A H8 4.100 3.300 4.900 4.296 4.186 4.402 . 0 0 "[ . 1 . 2]" 1
220 1 13 A H1' 1 13 A Q5' 4.200 3.400 4.900 4.385 4.369 4.395 . 0 0 "[ . 1 . 2]" 1
221 1 13 A Q5' 1 13 A H8 4.600 3.700 5.500 3.293 3.242 3.346 0.458 12 0 "[ . 1 . 2]" 1
222 1 13 A H1' 1 13 A H8 3.200 2.600 3.800 3.859 3.848 3.870 0.070 8 0 "[ . 1 . 2]" 1
223 1 13 A H2' 1 13 A H8 4.300 3.400 5.200 3.499 3.390 3.586 0.010 8 0 "[ . 1 . 2]" 1
224 1 13 A H3' 1 13 A H8 2.800 2.200 3.400 2.404 2.209 2.525 . 0 0 "[ . 1 . 2]" 1
225 1 13 A H4' 1 13 A H8 4.300 3.400 5.200 4.185 4.145 4.220 . 0 0 "[ . 1 . 2]" 1
226 1 14 G H5' 1 14 G H8 3.500 2.500 4.500 3.921 3.787 4.199 . 0 0 "[ . 1 . 2]" 1
227 1 14 G H4' 1 14 G H8 3.500 2.500 4.500 4.418 4.371 4.489 . 0 0 "[ . 1 . 2]" 1
228 1 14 G H1' 1 14 G H8 3.900 3.100 4.700 3.817 3.797 3.833 . 0 0 "[ . 1 . 2]" 1
229 1 14 G H2' 1 14 G H8 3.000 2.400 3.600 3.627 3.588 3.660 0.060 11 0 "[ . 1 . 2]" 1
230 1 14 G H3' 1 14 G H8 2.900 2.300 3.500 2.979 2.890 3.104 . 0 0 "[ . 1 . 2]" 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 19
_Distance_constraint_stats_list.Viol_count 70
_Distance_constraint_stats_list.Viol_total 181.774
_Distance_constraint_stats_list.Viol_max 0.349
_Distance_constraint_stats_list.Viol_rms 0.0738
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0239
_Distance_constraint_stats_list.Viol_average_violations_only 0.1298
_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 2 G 0.371 0.083 4 0 "[ . 1 . 2]"
1 3 A 0.353 0.042 19 0 "[ . 1 . 2]"
1 4 C 0.026 0.026 1 0 "[ . 1 . 2]"
1 5 C 0.030 0.026 1 0 "[ . 1 . 2]"
1 6 U 0.172 0.049 4 0 "[ . 1 . 2]"
1 7 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 U 2.265 0.297 3 0 "[ . 1 . 2]"
1 9 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 G 2.265 0.297 3 0 "[ . 1 . 2]"
1 17 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 U 0.172 0.049 4 0 "[ . 1 . 2]"
1 19 G 0.308 0.042 19 0 "[ . 1 . 2]"
1 20 U 6.269 0.349 3 0 "[ . 1 . 2]"
1 21 C 5.946 0.349 3 0 "[ . 1 . 2]"
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 20 U H3 1 21 C Q4 4.500 3.500 5.500 3.203 3.151 3.364 0.349 3 0 "[ . 1 . 2]" 2
2 1 2 G H1 1 20 U H3 5.000 4.000 6.000 4.089 3.917 4.741 0.083 4 0 "[ . 1 . 2]" 2
3 1 3 A H2 1 20 U H3 2.800 . 3.800 2.772 2.483 2.957 . 0 0 "[ . 1 . 2]" 2
4 1 2 G H1 1 3 A H2 4.700 3.700 5.700 3.855 3.679 4.163 0.021 15 0 "[ . 1 . 2]" 2
5 1 3 A H2 1 19 G H1 5.000 4.000 6.000 6.000 5.772 6.042 0.042 19 0 "[ . 1 . 2]" 2
6 1 19 G H1 1 20 U H3 3.800 2.800 4.800 4.401 4.004 4.599 . 0 0 "[ . 1 . 2]" 2
7 1 5 C H1' 1 19 G H1 4.500 3.500 5.500 3.594 3.496 4.067 0.004 5 0 "[ . 1 . 2]" 2
8 1 6 U H3 1 17 U H1' 3.800 2.800 4.800 3.542 3.344 4.149 . 0 0 "[ . 1 . 2]" 2
9 1 6 U H3 1 18 U H5 3.800 2.800 4.800 4.654 4.130 4.849 0.049 4 0 "[ . 1 . 2]" 2
10 1 17 U H3 1 18 U H5 3.800 2.800 4.800 3.819 3.591 3.994 . 0 0 "[ . 1 . 2]" 2
11 1 16 G H1 1 17 U H3 3.800 2.800 4.800 3.788 3.582 4.130 . 0 0 "[ . 1 . 2]" 2
12 1 7 C Q4 1 17 U H3 3.800 2.800 4.800 3.430 3.133 3.605 . 0 0 "[ . 1 . 2]" 2
13 1 6 U H3 1 16 G H1 3.800 2.800 4.800 3.570 3.311 3.936 . 0 0 "[ . 1 . 2]" 2
14 1 8 U H1' 1 16 G Q2 4.500 3.500 5.500 3.402 3.203 3.640 0.297 3 0 "[ . 1 . 2]" 2
15 1 16 G Q2 1 17 U H1' 4.000 3.000 5.000 3.299 3.013 3.798 . 0 0 "[ . 1 . 2]" 2
16 1 8 U H3 1 15 A H2 2.800 . 3.800 2.934 2.704 3.132 . 0 0 "[ . 1 . 2]" 2
17 1 14 G H1 1 15 A H2 4.700 3.700 5.700 5.427 5.201 5.656 . 0 0 "[ . 1 . 2]" 2
18 1 8 U H3 1 9 C Q4 4.500 3.500 5.500 3.951 3.749 4.093 . 0 0 "[ . 1 . 2]" 2
19 1 4 C Q4 1 5 C H5 4.500 3.500 5.500 3.720 3.474 4.069 0.026 1 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 65
_Distance_constraint_stats_list.Viol_total 57.974
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0446
_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]"
1 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 A 0.722 0.063 2 0 "[ . 1 . 2]"
1 4 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 U 1.479 0.099 13 0 "[ . 1 . 2]"
1 9 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 G 0.698 0.056 5 0 "[ . 1 . 2]"
1 13 A 0.698 0.056 5 0 "[ . 1 . 2]"
1 14 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 A 1.479 0.099 13 0 "[ . 1 . 2]"
1 16 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 U 0.722 0.063 2 0 "[ . 1 . 2]"
1 21 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 C 0.000 0.000 . 0 "[ . 1 . 2]"
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 10 G N3 1 13 A H62 2.000 . 2.500 2.524 2.331 2.556 0.056 5 0 "[ . 1 . 2]" 3
2 1 1 G N1 1 22 C N3 2.950 2.350 3.550 2.659 2.587 2.858 . 0 0 "[ . 1 . 2]" 3
3 1 1 G O6 1 22 C N4 2.910 2.310 3.510 2.718 2.561 3.069 . 0 0 "[ . 1 . 2]" 3
4 1 1 G N2 1 22 C O2 2.860 2.260 3.460 2.537 2.460 2.980 . 0 0 "[ . 1 . 2]" 3
5 1 2 G N1 1 21 C N3 2.950 2.350 3.550 2.591 2.505 2.785 . 0 0 "[ . 1 . 2]" 3
6 1 2 G O6 1 21 C N4 2.910 2.310 3.510 2.640 2.485 3.031 . 0 0 "[ . 1 . 2]" 3
7 1 2 G N2 1 21 C O2 2.860 2.260 3.460 2.624 2.506 2.864 . 0 0 "[ . 1 . 2]" 3
8 1 3 A N1 1 20 U N3 2.820 2.720 2.920 2.772 2.701 2.899 0.019 17 0 "[ . 1 . 2]" 3
9 1 3 A N6 1 20 U O4 2.950 2.850 3.050 2.817 2.787 2.858 0.063 2 0 "[ . 1 . 2]" 3
10 1 4 C N3 1 19 G N1 2.950 2.350 3.550 2.790 2.635 2.963 . 0 0 "[ . 1 . 2]" 3
11 1 4 C N4 1 19 G O6 2.910 2.310 3.510 2.953 2.640 3.310 . 0 0 "[ . 1 . 2]" 3
12 1 4 C O2 1 19 G N2 2.860 2.260 3.460 2.548 2.479 2.632 . 0 0 "[ . 1 . 2]" 3
13 1 6 U N3 1 17 U O2 2.900 2.300 3.500 2.489 2.360 2.918 . 0 0 "[ . 1 . 2]" 3
14 1 6 U O4 1 17 U N3 2.900 2.300 3.500 2.566 2.369 2.872 . 0 0 "[ . 1 . 2]" 3
15 1 7 C N3 1 16 G N1 2.950 2.350 3.550 2.813 2.638 2.992 . 0 0 "[ . 1 . 2]" 3
16 1 7 C N4 1 16 G O6 2.910 2.310 3.510 3.129 2.786 3.431 . 0 0 "[ . 1 . 2]" 3
17 1 7 C O2 1 16 G N2 2.860 2.260 3.460 2.558 2.443 2.769 . 0 0 "[ . 1 . 2]" 3
18 1 8 U N3 1 15 A N1 2.820 2.720 2.920 2.756 2.693 2.820 0.027 6 0 "[ . 1 . 2]" 3
19 1 8 U O4 1 15 A N6 2.950 2.850 3.050 2.779 2.751 2.813 0.099 13 0 "[ . 1 . 2]" 3
20 1 9 C N3 1 14 G N1 2.950 2.350 3.550 2.652 2.574 2.746 . 0 0 "[ . 1 . 2]" 3
21 1 9 C N4 1 14 G O6 2.910 2.310 3.510 2.649 2.532 2.821 . 0 0 "[ . 1 . 2]" 3
22 1 9 C O2 1 14 G N2 2.860 2.260 3.460 2.679 2.545 2.777 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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