NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470349 |
1al5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1al5
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 467
_Distance_constraint_stats_list.Viol_total 70.177
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0125
_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 C 0.649 0.029 9 0 "[ . 1 ]"
1 2 G 0.806 0.029 2 0 "[ . 1 ]"
1 3 C 0.520 0.028 2 0 "[ . 1 ]"
1 4 A 0.401 0.028 2 0 "[ . 1 ]"
1 5 A 0.362 0.026 2 0 "[ . 1 ]"
1 6 A 0.248 0.026 2 0 "[ . 1 ]"
1 7 U 0.288 0.024 3 0 "[ . 1 ]"
1 8 U 0.140 0.023 1 0 "[ . 1 ]"
1 9 U 0.371 0.032 4 0 "[ . 1 ]"
1 10 G 0.923 0.032 3 0 "[ . 1 ]"
1 11 C 0.618 0.032 3 0 "[ . 1 ]"
1 12 G 0.202 0.022 7 0 "[ . 1 ]"
2 1 C 0.661 0.030 2 0 "[ . 1 ]"
2 2 G 0.778 0.030 2 0 "[ . 1 ]"
2 3 C 0.508 0.026 5 0 "[ . 1 ]"
2 4 A 0.436 0.026 5 0 "[ . 1 ]"
2 5 A 0.384 0.024 3 0 "[ . 1 ]"
2 6 A 0.215 0.023 1 0 "[ . 1 ]"
2 7 U 0.218 0.012 4 0 "[ . 1 ]"
2 8 U 0.079 0.009 7 0 "[ . 1 ]"
2 9 U 0.355 0.032 2 0 "[ . 1 ]"
2 10 G 0.853 0.032 2 0 "[ . 1 ]"
2 11 C 0.552 0.030 3 0 "[ . 1 ]"
2 12 G 0.185 0.021 2 0 "[ . 1 ]"
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 G H1 2 10 G H1 . 3.500 4.500 3.480 3.471 3.485 0.029 2 0 "[ . 1 ]" 1
2 1 10 G H1 2 2 G H1 . 3.500 4.500 3.480 3.476 3.483 0.024 11 0 "[ . 1 ]" 1
3 1 2 G H1 2 11 C H41 . 2.300 2.700 2.702 2.688 2.708 0.008 7 0 "[ . 1 ]" 1
4 1 2 G H1 2 11 C H42 . 3.500 4.500 4.186 4.175 4.195 . 0 0 "[ . 1 ]" 1
5 1 11 C H41 2 2 G H1 . 2.300 2.700 2.677 2.405 2.707 0.007 10 0 "[ . 1 ]" 1
6 1 11 C H42 2 2 G H1 . 3.500 4.500 4.161 3.925 4.189 . 0 0 "[ . 1 ]" 1
7 1 7 U H3 1 8 U H3 . 3.200 4.500 3.985 3.820 4.058 . 0 0 "[ . 1 ]" 1
8 2 7 U H3 2 8 U H3 . 3.200 4.500 4.008 3.851 4.129 . 0 0 "[ . 1 ]" 1
9 1 7 U H3 2 6 A H2 . 2.600 3.200 2.875 2.760 2.952 . 0 0 "[ . 1 ]" 1
10 1 6 A H2 2 7 U H3 . 2.600 3.200 2.881 2.716 2.928 . 0 0 "[ . 1 ]" 1
11 1 7 U H3 2 5 A H2 . 3.500 6.000 5.988 5.873 6.020 0.020 7 0 "[ . 1 ]" 1
12 1 5 A H2 2 7 U H3 . 3.500 6.000 5.970 5.793 6.012 0.012 2 0 "[ . 1 ]" 1
13 1 7 U H3 2 6 A H62 . 3.000 4.500 3.953 3.862 4.069 . 0 0 "[ . 1 ]" 1
14 1 7 U H3 2 6 A H61 . 2.300 2.800 2.422 2.318 2.555 . 0 0 "[ . 1 ]" 1
15 1 6 A H62 2 7 U H3 . 3.000 4.500 3.958 3.888 4.143 . 0 0 "[ . 1 ]" 1
16 1 6 A H61 2 7 U H3 . 2.300 2.800 2.426 2.348 2.636 . 0 0 "[ . 1 ]" 1
17 1 8 U H3 1 9 U H3 . 3.200 4.500 3.573 3.383 3.871 . 0 0 "[ . 1 ]" 1
18 2 8 U H3 2 9 U H3 . 3.200 4.500 3.671 3.406 3.947 . 0 0 "[ . 1 ]" 1
19 1 8 U H3 2 5 A H2 . 2.600 3.200 2.711 2.597 2.874 0.003 10 0 "[ . 1 ]" 1
20 1 5 A H2 2 8 U H3 . 2.600 3.200 2.671 2.598 2.790 0.002 10 0 "[ . 1 ]" 1
21 1 8 U H3 2 6 A H2 . 3.000 4.000 3.775 3.571 3.904 . 0 0 "[ . 1 ]" 1
22 1 6 A H2 2 8 U H3 . 3.000 4.000 3.828 3.714 4.000 0.000 2 0 "[ . 1 ]" 1
23 1 8 U H3 2 4 A H2 . 3.500 6.000 5.731 5.546 5.932 . 0 0 "[ . 1 ]" 1
24 1 4 A H2 2 8 U H3 . 3.500 6.000 5.802 5.590 5.999 . 0 0 "[ . 1 ]" 1
25 1 9 U H3 2 4 A H2 . 2.600 3.200 2.741 2.695 2.765 . 0 0 "[ . 1 ]" 1
26 1 4 A H2 2 9 U H3 . 2.600 3.200 2.707 2.603 2.792 . 0 0 "[ . 1 ]" 1
27 1 9 U H3 2 5 A H2 . 3.000 4.000 3.439 3.270 3.643 . 0 0 "[ . 1 ]" 1
28 1 5 A H2 2 9 U H3 . 3.000 4.000 3.488 3.351 3.708 . 0 0 "[ . 1 ]" 1
29 1 10 G H1 2 3 C H41 . 2.300 2.800 2.589 2.374 2.735 . 0 0 "[ . 1 ]" 1
30 1 10 G H1 2 3 C H42 . 3.500 4.500 4.095 3.918 4.217 . 0 0 "[ . 1 ]" 1
31 1 3 C H41 2 10 G H1 . 2.300 2.800 2.591 2.495 2.696 . 0 0 "[ . 1 ]" 1
32 1 3 C H42 2 10 G H1 . 3.500 4.500 4.094 4.006 4.189 . 0 0 "[ . 1 ]" 1
33 1 1 C H1' 1 1 C H6 . 3.500 4.000 3.685 3.678 3.690 . 0 0 "[ . 1 ]" 1
34 2 1 C H1' 2 1 C H6 . 3.500 4.000 3.685 3.682 3.688 . 0 0 "[ . 1 ]" 1
35 1 1 C H2' 1 1 C H6 . 2.200 3.500 3.521 3.511 3.529 0.029 9 0 "[ . 1 ]" 1
36 2 1 C H2' 2 1 C H6 . 2.200 3.500 3.522 3.515 3.528 0.028 7 0 "[ . 1 ]" 1
37 1 1 C H3' 1 1 C H6 . 2.500 4.000 2.491 2.485 2.497 0.015 9 0 "[ . 1 ]" 1
38 2 1 C H3' 2 1 C H6 . 2.500 4.000 2.491 2.485 2.498 0.015 7 0 "[ . 1 ]" 1
39 1 1 C H1' 1 2 G H8 . 3.800 5.000 4.944 4.923 4.975 . 0 0 "[ . 1 ]" 1
40 2 1 C H1' 2 2 G H8 . 3.800 5.000 4.934 4.916 4.954 . 0 0 "[ . 1 ]" 1
41 1 1 C H2' 1 2 G H8 . 2.400 2.800 2.376 2.372 2.378 0.028 2 0 "[ . 1 ]" 1
42 2 1 C H2' 2 2 G H8 . 2.400 2.800 2.375 2.370 2.382 0.030 2 0 "[ . 1 ]" 1
43 1 1 C H6 1 2 G H8 . 3.500 6.000 4.304 4.221 4.505 . 0 0 "[ . 1 ]" 1
44 2 1 C H6 2 2 G H8 . 3.500 6.000 4.271 4.194 4.358 . 0 0 "[ . 1 ]" 1
45 1 2 G H1' 1 2 G H8 . 3.500 4.000 3.843 3.831 3.856 . 0 0 "[ . 1 ]" 1
46 2 2 G H1' 2 2 G H8 . 3.500 4.000 3.840 3.832 3.853 . 0 0 "[ . 1 ]" 1
47 1 2 G H3' 1 2 G H8 . 2.500 3.500 2.831 2.764 2.884 . 0 0 "[ . 1 ]" 1
48 2 2 G H3' 2 2 G H8 . 2.500 3.500 2.846 2.809 2.880 . 0 0 "[ . 1 ]" 1
49 1 2 G H1' 1 3 C H6 . 3.800 5.000 4.997 4.979 5.009 0.009 7 0 "[ . 1 ]" 1
50 2 2 G H1' 2 3 C H6 . 3.800 5.000 4.986 4.942 5.007 0.007 1 0 "[ . 1 ]" 1
51 1 2 G H2' 1 3 C H6 . 2.400 2.800 2.384 2.375 2.390 0.025 7 0 "[ . 1 ]" 1
52 2 2 G H2' 2 3 C H6 . 2.400 2.800 2.385 2.377 2.392 0.023 12 0 "[ . 1 ]" 1
53 1 2 G H8 1 3 C H5 . 4.000 6.000 4.037 3.993 4.158 0.007 2 0 "[ . 1 ]" 1
54 2 2 G H8 2 3 C H5 . 4.000 6.000 4.083 3.995 4.318 0.005 10 0 "[ . 1 ]" 1
55 1 2 G H8 1 3 C H6 . 4.000 6.000 4.671 4.574 4.752 . 0 0 "[ . 1 ]" 1
56 2 2 G H8 2 3 C H6 . 4.000 6.000 4.691 4.611 4.869 . 0 0 "[ . 1 ]" 1
57 1 3 C H1' 1 3 C H6 . 3.500 4.000 3.688 3.679 3.697 . 0 0 "[ . 1 ]" 1
58 2 3 C H1' 2 3 C H6 . 3.500 4.000 3.683 3.668 3.692 . 0 0 "[ . 1 ]" 1
59 1 3 C H3' 1 3 C H6 . 2.500 3.500 2.502 2.490 2.527 0.010 2 0 "[ . 1 ]" 1
60 2 3 C H3' 2 3 C H6 . 2.500 3.500 2.518 2.495 2.598 0.005 12 0 "[ . 1 ]" 1
61 1 3 C H1' 1 4 A H8 . 3.800 5.000 4.889 4.832 4.929 . 0 0 "[ . 1 ]" 1
62 2 3 C H1' 2 4 A H8 . 3.800 5.000 4.905 4.875 4.922 . 0 0 "[ . 1 ]" 1
63 1 3 C H2' 1 4 A H8 . 2.400 2.800 2.380 2.372 2.385 0.028 2 0 "[ . 1 ]" 1
64 2 3 C H2' 2 4 A H8 . 2.400 2.800 2.378 2.374 2.383 0.026 5 0 "[ . 1 ]" 1
65 1 3 C H6 1 4 A H8 . 4.000 6.000 4.348 4.180 4.467 . 0 0 "[ . 1 ]" 1
66 2 3 C H6 2 4 A H8 . 4.000 6.000 4.429 4.340 4.508 . 0 0 "[ . 1 ]" 1
67 1 4 A H1' 1 4 A H8 . 3.500 4.000 3.822 3.812 3.835 . 0 0 "[ . 1 ]" 1
68 2 4 A H1' 2 4 A H8 . 3.500 4.000 3.822 3.806 3.832 . 0 0 "[ . 1 ]" 1
69 1 4 A H3' 1 4 A H8 . 2.500 3.500 2.898 2.816 2.959 . 0 0 "[ . 1 ]" 1
70 2 4 A H3' 2 4 A H8 . 2.500 3.500 2.894 2.829 2.984 . 0 0 "[ . 1 ]" 1
71 1 4 A H1' 1 5 A H8 . 3.800 5.000 4.940 4.896 4.981 . 0 0 "[ . 1 ]" 1
72 2 4 A H1' 2 5 A H8 . 3.800 5.000 4.949 4.929 4.980 . 0 0 "[ . 1 ]" 1
73 1 4 A H2' 1 5 A H8 . 2.400 2.800 2.387 2.377 2.401 0.023 3 0 "[ . 1 ]" 1
74 2 4 A H2' 2 5 A H8 . 2.400 2.800 2.386 2.376 2.396 0.024 3 0 "[ . 1 ]" 1
75 1 4 A H2 1 5 A H2 . 4.000 6.000 4.463 4.315 4.620 . 0 0 "[ . 1 ]" 1
76 2 4 A H2 2 5 A H2 . 4.000 6.000 4.392 4.246 4.544 . 0 0 "[ . 1 ]" 1
77 1 4 A H8 1 5 A H8 . 4.000 6.000 4.775 4.675 4.883 . 0 0 "[ . 1 ]" 1
78 2 4 A H8 2 5 A H8 . 4.000 6.000 4.779 4.693 4.869 . 0 0 "[ . 1 ]" 1
79 1 5 A H1' 1 5 A H8 . 3.500 4.000 3.818 3.792 3.833 . 0 0 "[ . 1 ]" 1
80 2 5 A H1' 2 5 A H8 . 3.500 4.000 3.826 3.819 3.838 . 0 0 "[ . 1 ]" 1
81 1 5 A H3' 1 5 A H8 . 2.500 3.500 2.898 2.800 3.046 . 0 0 "[ . 1 ]" 1
82 2 5 A H3' 2 5 A H8 . 2.500 3.500 2.851 2.757 2.916 . 0 0 "[ . 1 ]" 1
83 1 5 A H1' 1 6 A H8 . 3.800 5.000 4.889 4.839 4.953 . 0 0 "[ . 1 ]" 1
84 2 5 A H1' 2 6 A H8 . 3.800 5.000 4.880 4.818 4.954 . 0 0 "[ . 1 ]" 1
85 1 4 A H2 1 5 A H1' . 2.800 4.200 3.017 2.853 3.189 . 0 0 "[ . 1 ]" 1
86 2 4 A H2 2 5 A H1' . 2.800 4.200 3.059 2.920 3.210 . 0 0 "[ . 1 ]" 1
87 1 5 A H2' 1 6 A H8 . 2.400 2.800 2.435 2.374 2.547 0.026 2 0 "[ . 1 ]" 1
88 2 5 A H2' 2 6 A H8 . 2.400 2.800 2.433 2.377 2.542 0.023 1 0 "[ . 1 ]" 1
89 1 5 A H2 1 6 A H2 . 4.000 6.000 4.594 4.380 4.706 . 0 0 "[ . 1 ]" 1
90 2 5 A H2 2 6 A H2 . 4.000 6.000 4.577 4.395 4.718 . 0 0 "[ . 1 ]" 1
91 1 5 A H8 1 6 A H8 . 4.000 6.000 4.794 4.643 4.944 . 0 0 "[ . 1 ]" 1
92 2 5 A H8 2 6 A H8 . 4.000 6.000 4.714 4.630 4.817 . 0 0 "[ . 1 ]" 1
93 1 6 A H1' 1 6 A H8 . 3.500 4.000 3.724 3.654 3.818 . 0 0 "[ . 1 ]" 1
94 2 6 A H1' 2 6 A H8 . 3.500 4.000 3.727 3.666 3.819 . 0 0 "[ . 1 ]" 1
95 1 6 A H3' 1 6 A H8 . 2.500 3.500 3.149 2.858 3.323 . 0 0 "[ . 1 ]" 1
96 2 6 A H3' 2 6 A H8 . 2.500 3.500 3.146 2.892 3.348 . 0 0 "[ . 1 ]" 1
97 1 6 A H1' 1 7 U H6 . 3.800 5.000 4.928 4.882 5.001 0.001 3 0 "[ . 1 ]" 1
98 2 6 A H1' 2 7 U H6 . 3.800 5.000 4.924 4.893 4.966 . 0 0 "[ . 1 ]" 1
99 1 5 A H2 1 6 A H1' . 2.800 4.200 2.884 2.789 3.131 0.011 10 0 "[ . 1 ]" 1
100 2 5 A H2 2 6 A H1' . 2.800 4.200 2.877 2.793 3.071 0.007 9 0 "[ . 1 ]" 1
101 1 6 A H2' 1 7 U H6 . 2.400 2.800 2.464 2.376 2.633 0.024 3 0 "[ . 1 ]" 1
102 2 6 A H2' 2 7 U H6 . 2.400 2.800 2.468 2.389 2.594 0.011 12 0 "[ . 1 ]" 1
103 1 6 A H8 1 7 U H5 . 4.000 6.000 4.402 4.203 4.527 . 0 0 "[ . 1 ]" 1
104 2 6 A H8 2 7 U H5 . 4.000 6.000 4.406 4.238 4.542 . 0 0 "[ . 1 ]" 1
105 1 6 A H3' 1 7 U H5 . 3.500 5.000 3.909 3.707 4.142 . 0 0 "[ . 1 ]" 1
106 2 6 A H3' 2 7 U H5 . 3.500 5.000 3.933 3.549 4.264 . 0 0 "[ . 1 ]" 1
107 1 6 A H8 1 7 U H6 . 4.000 6.000 5.007 4.799 5.131 . 0 0 "[ . 1 ]" 1
108 2 6 A H8 2 7 U H6 . 4.000 6.000 4.991 4.790 5.094 . 0 0 "[ . 1 ]" 1
109 1 7 U H1' 1 7 U H6 . 3.500 4.000 3.634 3.611 3.663 . 0 0 "[ . 1 ]" 1
110 2 7 U H1' 2 7 U H6 . 3.500 4.000 3.634 3.613 3.652 . 0 0 "[ . 1 ]" 1
111 1 7 U H3' 1 7 U H6 . 2.500 3.500 2.847 2.626 3.032 . 0 0 "[ . 1 ]" 1
112 2 7 U H3' 2 7 U H6 . 2.500 3.500 2.891 2.793 2.975 . 0 0 "[ . 1 ]" 1
113 1 7 U H1' 1 8 U H6 . 3.800 5.000 4.978 4.921 5.006 0.006 6 0 "[ . 1 ]" 1
114 2 7 U H1' 2 8 U H6 . 3.800 5.000 4.995 4.960 5.006 0.006 5 0 "[ . 1 ]" 1
115 1 6 A H2 1 7 U H1' . 2.800 3.800 2.867 2.791 3.011 0.009 9 0 "[ . 1 ]" 1
116 2 6 A H2 2 7 U H1' . 2.800 3.800 2.880 2.794 3.041 0.006 10 0 "[ . 1 ]" 1
117 1 7 U H2' 1 8 U H6 . 2.400 2.800 2.514 2.377 2.645 0.023 1 0 "[ . 1 ]" 1
118 2 7 U H2' 2 8 U H6 . 2.400 2.800 2.590 2.535 2.636 . 0 0 "[ . 1 ]" 1
119 1 7 U H6 1 8 U H5 . 4.000 6.000 4.512 3.999 4.833 0.001 3 0 "[ . 1 ]" 1
120 2 7 U H6 2 8 U H5 . 4.000 6.000 4.647 4.477 4.847 . 0 0 "[ . 1 ]" 1
121 1 7 U H3' 1 8 U H5 . 3.500 5.000 4.611 4.024 5.003 0.003 6 0 "[ . 1 ]" 1
122 2 7 U H3' 2 8 U H5 . 3.500 5.000 4.890 4.785 5.002 0.002 7 0 "[ . 1 ]" 1
123 1 7 U H6 1 8 U H6 . 4.000 6.000 4.818 4.567 5.007 . 0 0 "[ . 1 ]" 1
124 2 7 U H6 2 8 U H6 . 4.000 6.000 4.809 4.701 4.943 . 0 0 "[ . 1 ]" 1
125 1 8 U H1' 1 8 U H6 . 3.500 4.000 3.579 3.532 3.664 . 0 0 "[ . 1 ]" 1
126 2 8 U H1' 2 8 U H6 . 3.500 4.000 3.545 3.512 3.573 . 0 0 "[ . 1 ]" 1
127 1 8 U H3' 1 8 U H6 . 2.500 3.500 2.979 2.732 3.170 . 0 0 "[ . 1 ]" 1
128 2 8 U H3' 2 8 U H6 . 2.500 3.500 3.070 2.991 3.151 . 0 0 "[ . 1 ]" 1
129 1 8 U H1' 1 9 U H6 . 3.800 5.000 4.891 4.802 4.972 . 0 0 "[ . 1 ]" 1
130 2 8 U H1' 2 9 U H6 . 3.800 5.000 4.863 4.772 4.924 . 0 0 "[ . 1 ]" 1
131 1 8 U H1' 2 6 A H2 . 2.500 3.800 2.792 2.732 2.928 . 0 0 "[ . 1 ]" 1
132 1 6 A H2 2 8 U H1' . 2.500 3.800 2.761 2.617 2.887 . 0 0 "[ . 1 ]" 1
133 1 8 U H2' 1 9 U H6 . 2.300 2.800 2.298 2.289 2.308 0.011 1 0 "[ . 1 ]" 1
134 2 8 U H2' 2 9 U H6 . 2.300 2.800 2.299 2.291 2.316 0.009 7 0 "[ . 1 ]" 1
135 1 8 U H6 1 9 U H5 . 4.000 6.000 4.455 4.269 4.613 . 0 0 "[ . 1 ]" 1
136 2 8 U H6 2 9 U H5 . 4.000 6.000 4.535 4.347 4.693 . 0 0 "[ . 1 ]" 1
137 1 8 U H3' 1 9 U H5 . 3.500 5.000 3.839 3.524 4.248 . 0 0 "[ . 1 ]" 1
138 2 8 U H3' 2 9 U H5 . 3.500 5.000 3.735 3.591 3.865 . 0 0 "[ . 1 ]" 1
139 1 8 U H6 1 9 U H6 . 4.000 6.000 5.115 4.938 5.293 . 0 0 "[ . 1 ]" 1
140 2 8 U H6 2 9 U H6 . 4.000 6.000 5.162 5.034 5.324 . 0 0 "[ . 1 ]" 1
141 1 9 U H1' 1 9 U H6 . 3.500 4.000 3.664 3.633 3.699 . 0 0 "[ . 1 ]" 1
142 2 9 U H1' 2 9 U H6 . 3.500 4.000 3.652 3.606 3.679 . 0 0 "[ . 1 ]" 1
143 1 9 U H3' 1 9 U H6 . 2.500 3.500 2.607 2.494 2.752 0.006 1 0 "[ . 1 ]" 1
144 2 9 U H3' 2 9 U H6 . 2.500 3.500 2.661 2.539 2.867 . 0 0 "[ . 1 ]" 1
145 1 9 U H1' 1 10 G H8 . 3.800 5.000 4.872 4.836 4.909 . 0 0 "[ . 1 ]" 1
146 2 9 U H1' 2 10 G H8 . 3.800 5.000 4.862 4.819 4.927 . 0 0 "[ . 1 ]" 1
147 1 9 U H1' 2 5 A H2 . 2.800 4.500 3.279 3.095 3.487 . 0 0 "[ . 1 ]" 1
148 1 5 A H2 2 9 U H1' . 2.800 4.500 3.205 2.964 3.350 . 0 0 "[ . 1 ]" 1
149 1 9 U H2' 1 10 G H8 . 2.400 2.800 2.373 2.368 2.379 0.032 4 0 "[ . 1 ]" 1
150 2 9 U H2' 2 10 G H8 . 2.400 2.800 2.374 2.368 2.381 0.032 2 0 "[ . 1 ]" 1
151 1 9 U H6 1 10 G H8 . 4.000 6.000 4.494 4.195 4.826 . 0 0 "[ . 1 ]" 1
152 2 9 U H6 2 10 G H8 . 4.000 6.000 4.568 4.394 5.019 . 0 0 "[ . 1 ]" 1
153 1 10 G H1' 1 10 G H8 . 3.500 4.000 3.818 3.802 3.839 . 0 0 "[ . 1 ]" 1
154 2 10 G H1' 2 10 G H8 . 3.500 4.000 3.811 3.795 3.829 . 0 0 "[ . 1 ]" 1
155 1 10 G H3' 1 10 G H8 . 2.500 3.500 2.968 2.912 3.024 . 0 0 "[ . 1 ]" 1
156 2 10 G H3' 2 10 G H8 . 2.500 3.500 2.977 2.929 3.038 . 0 0 "[ . 1 ]" 1
157 1 10 G H1' 1 11 C H6 . 3.800 5.000 5.007 5.000 5.013 0.013 3 0 "[ . 1 ]" 1
158 2 10 G H1' 2 11 C H6 . 3.800 5.000 5.002 4.965 5.010 0.010 12 0 "[ . 1 ]" 1
159 1 10 G H1' 2 4 A H2 . 2.800 4.500 3.337 3.240 3.452 . 0 0 "[ . 1 ]" 1
160 1 4 A H2 2 10 G H1' . 2.800 4.500 3.309 3.143 3.487 . 0 0 "[ . 1 ]" 1
161 1 10 G H2' 1 11 C H6 . 2.400 2.800 2.376 2.368 2.385 0.032 3 0 "[ . 1 ]" 1
162 2 10 G H2' 2 11 C H6 . 2.400 2.800 2.379 2.370 2.385 0.030 3 0 "[ . 1 ]" 1
163 1 10 G H8 1 11 C H5 . 4.000 6.000 4.160 4.003 4.439 . 0 0 "[ . 1 ]" 1
164 2 10 G H8 2 11 C H5 . 4.000 6.000 4.130 3.999 4.241 0.001 4 0 "[ . 1 ]" 1
165 1 10 G H3' 1 11 C H5 . 3.500 5.000 4.000 3.911 4.213 . 0 0 "[ . 1 ]" 1
166 2 10 G H3' 2 11 C H5 . 3.500 5.000 3.949 3.838 4.090 . 0 0 "[ . 1 ]" 1
167 1 10 G H8 1 11 C H6 . 4.000 6.000 4.970 4.871 5.162 . 0 0 "[ . 1 ]" 1
168 2 10 G H8 2 11 C H6 . 4.000 6.000 4.970 4.841 5.086 . 0 0 "[ . 1 ]" 1
169 1 11 C H1' 1 11 C H6 . 3.500 4.000 3.688 3.682 3.696 . 0 0 "[ . 1 ]" 1
170 2 11 C H1' 2 11 C H6 . 3.500 4.000 3.687 3.674 3.695 . 0 0 "[ . 1 ]" 1
171 1 11 C H3' 1 11 C H6 . 2.500 3.500 2.510 2.493 2.544 0.007 4 0 "[ . 1 ]" 1
172 2 11 C H3' 2 11 C H6 . 2.500 3.500 2.517 2.495 2.580 0.005 5 0 "[ . 1 ]" 1
173 1 11 C H1' 1 12 G H8 . 3.800 5.000 4.888 4.851 4.908 . 0 0 "[ . 1 ]" 1
174 2 11 C H1' 2 12 G H8 . 3.800 5.000 4.901 4.872 4.939 . 0 0 "[ . 1 ]" 1
175 1 11 C H2' 1 12 G H8 . 2.400 2.800 2.383 2.378 2.386 0.022 7 0 "[ . 1 ]" 1
176 2 11 C H2' 2 12 G H8 . 2.400 2.800 2.385 2.379 2.388 0.021 2 0 "[ . 1 ]" 1
177 1 11 C H6 1 12 G H8 . 4.000 6.000 4.333 4.198 4.428 . 0 0 "[ . 1 ]" 1
178 2 11 C H6 2 12 G H8 . 4.000 6.000 4.364 4.256 4.514 . 0 0 "[ . 1 ]" 1
179 1 12 G H1' 1 12 G H8 . 3.300 4.000 3.846 3.838 3.853 . 0 0 "[ . 1 ]" 1
180 2 12 G H1' 2 12 G H8 . 3.300 4.000 3.849 3.839 3.865 . 0 0 "[ . 1 ]" 1
181 1 12 G H2' 1 12 G H8 . 2.700 4.000 3.770 3.708 3.799 . 0 0 "[ . 1 ]" 1
182 2 12 G H2' 2 12 G H8 . 2.700 4.000 3.760 3.711 3.818 . 0 0 "[ . 1 ]" 1
183 1 1 C H1' 1 1 C H2' . . 2.900 2.806 2.802 2.816 . 0 0 "[ . 1 ]" 1
184 2 1 C H1' 2 1 C H2' . . 2.900 2.808 2.802 2.813 . 0 0 "[ . 1 ]" 1
185 1 2 G H1' 1 2 G H2' . . 2.800 2.783 2.773 2.794 . 0 0 "[ . 1 ]" 1
186 2 2 G H1' 2 2 G H2' . . 2.800 2.784 2.776 2.791 . 0 0 "[ . 1 ]" 1
187 1 3 C H1' 1 3 C H2' . . 2.800 2.790 2.781 2.798 . 0 0 "[ . 1 ]" 1
188 2 3 C H1' 2 3 C H2' . . 2.800 2.789 2.779 2.795 . 0 0 "[ . 1 ]" 1
189 1 4 A H1' 1 4 A H2' . . 2.800 2.776 2.748 2.793 . 0 0 "[ . 1 ]" 1
190 2 4 A H1' 2 4 A H2' . . 2.800 2.772 2.762 2.780 . 0 0 "[ . 1 ]" 1
191 1 5 A H1' 1 5 A H2' . . 2.800 2.778 2.743 2.801 0.001 7 0 "[ . 1 ]" 1
192 2 5 A H1' 2 5 A H2' . . 2.800 2.771 2.743 2.794 . 0 0 "[ . 1 ]" 1
193 1 6 A H1' 1 6 A H2' . . 2.800 2.739 2.715 2.766 . 0 0 "[ . 1 ]" 1
194 2 6 A H1' 2 6 A H2' . . 2.800 2.739 2.718 2.773 . 0 0 "[ . 1 ]" 1
195 1 7 U H1' 1 7 U H2' . . 2.800 2.796 2.772 2.807 0.007 9 0 "[ . 1 ]" 1
196 2 7 U H1' 2 7 U H2' . . 2.800 2.805 2.799 2.812 0.012 4 0 "[ . 1 ]" 1
197 1 8 U H1' 1 8 U H2' . . 2.800 2.770 2.748 2.802 0.002 1 0 "[ . 1 ]" 1
198 2 8 U H1' 2 8 U H2' . . 2.800 2.756 2.742 2.769 . 0 0 "[ . 1 ]" 1
199 1 9 U H1' 1 9 U H2' . . 2.800 2.773 2.763 2.795 . 0 0 "[ . 1 ]" 1
200 2 9 U H1' 2 9 U H2' . . 2.800 2.769 2.761 2.776 . 0 0 "[ . 1 ]" 1
201 1 10 G H1' 1 10 G H2' . . 2.900 2.769 2.764 2.782 . 0 0 "[ . 1 ]" 1
202 2 10 G H1' 2 10 G H2' . . 2.900 2.767 2.762 2.776 . 0 0 "[ . 1 ]" 1
203 1 11 C H1' 1 11 C H2' . . 2.900 2.791 2.785 2.803 . 0 0 "[ . 1 ]" 1
204 2 11 C H1' 2 11 C H2' . . 2.900 2.792 2.783 2.798 . 0 0 "[ . 1 ]" 1
205 1 12 G H1' 1 12 G H2' . . 2.900 2.824 2.816 2.834 . 0 0 "[ . 1 ]" 1
206 2 12 G H1' 2 12 G H2' . . 2.900 2.823 2.814 2.828 . 0 0 "[ . 1 ]" 1
207 1 1 C H1' 1 1 C H4' . 3.000 3.500 3.078 3.052 3.107 . 0 0 "[ . 1 ]" 1
208 2 1 C H1' 2 1 C H4' . 3.000 3.500 3.076 3.060 3.098 . 0 0 "[ . 1 ]" 1
209 1 2 G H1' 1 2 G H4' . 3.000 3.500 3.116 3.081 3.147 . 0 0 "[ . 1 ]" 1
210 2 2 G H1' 2 2 G H4' . 3.000 3.500 3.114 3.086 3.134 . 0 0 "[ . 1 ]" 1
211 1 3 C H1' 1 3 C H4' . 3.000 3.500 3.140 3.117 3.161 . 0 0 "[ . 1 ]" 1
212 2 3 C H1' 2 3 C H4' . 3.000 3.500 3.139 3.120 3.161 . 0 0 "[ . 1 ]" 1
213 1 4 A H1' 1 4 A H4' . 3.000 3.500 3.152 3.107 3.210 . 0 0 "[ . 1 ]" 1
214 2 4 A H1' 2 4 A H4' . 3.000 3.500 3.166 3.141 3.204 . 0 0 "[ . 1 ]" 1
215 1 5 A H1' 1 5 A H4' . 3.000 3.500 3.192 3.137 3.290 . 0 0 "[ . 1 ]" 1
216 2 5 A H1' 2 5 A H4' . 3.000 3.500 3.201 3.157 3.249 . 0 0 "[ . 1 ]" 1
217 1 6 A H1' 1 6 A H4' . 3.000 3.500 3.375 3.204 3.508 0.008 9 0 "[ . 1 ]" 1
218 2 6 A H1' 2 6 A H4' . 3.000 3.500 3.395 3.201 3.510 0.010 5 0 "[ . 1 ]" 1
219 1 7 U H1' 1 7 U H4' . 3.000 3.500 3.154 3.119 3.200 . 0 0 "[ . 1 ]" 1
220 2 7 U H1' 2 7 U H4' . 3.000 3.500 3.135 3.103 3.164 . 0 0 "[ . 1 ]" 1
221 1 8 U H1' 1 8 U H4' . 3.000 3.500 3.301 3.103 3.437 . 0 0 "[ . 1 ]" 1
222 2 8 U H1' 2 8 U H4' . 3.000 3.500 3.387 3.333 3.438 . 0 0 "[ . 1 ]" 1
223 1 9 U H1' 1 9 U H4' . 3.000 3.500 3.191 3.116 3.232 . 0 0 "[ . 1 ]" 1
224 2 9 U H1' 2 9 U H4' . 3.000 3.500 3.212 3.184 3.231 . 0 0 "[ . 1 ]" 1
225 1 10 G H1' 1 10 G H4' . 3.000 3.500 3.168 3.110 3.191 . 0 0 "[ . 1 ]" 1
226 2 10 G H1' 2 10 G H4' . 3.000 3.500 3.180 3.142 3.212 . 0 0 "[ . 1 ]" 1
227 1 11 C H1' 1 11 C H4' . 3.000 3.500 3.146 3.106 3.162 . 0 0 "[ . 1 ]" 1
228 2 11 C H1' 2 11 C H4' . 3.000 3.500 3.152 3.129 3.167 . 0 0 "[ . 1 ]" 1
229 1 12 G H1' 1 12 G H4' . 3.000 3.500 3.087 3.045 3.113 . 0 0 "[ . 1 ]" 1
230 2 12 G H1' 2 12 G H4' . 3.000 3.500 3.089 3.070 3.112 . 0 0 "[ . 1 ]" 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 30
_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 C 0.000 0.000 . 0 "[ . 1 ]"
1 2 G 0.000 0.000 . 0 "[ . 1 ]"
1 3 C 0.000 0.000 . 0 "[ . 1 ]"
1 4 A 0.000 0.000 . 0 "[ . 1 ]"
1 5 A 0.000 0.000 . 0 "[ . 1 ]"
1 6 A 0.000 0.000 . 0 "[ . 1 ]"
1 7 U 0.000 0.000 . 0 "[ . 1 ]"
1 8 U 0.000 0.000 . 0 "[ . 1 ]"
1 9 U 0.000 0.000 . 0 "[ . 1 ]"
1 10 G 0.000 0.000 . 0 "[ . 1 ]"
1 11 C 0.000 0.000 . 0 "[ . 1 ]"
1 12 G 0.000 0.000 . 0 "[ . 1 ]"
2 1 C 0.000 0.000 . 0 "[ . 1 ]"
2 2 G 0.000 0.000 . 0 "[ . 1 ]"
2 3 C 0.000 0.000 . 0 "[ . 1 ]"
2 4 A 0.000 0.000 . 0 "[ . 1 ]"
2 5 A 0.000 0.000 . 0 "[ . 1 ]"
2 6 A 0.000 0.000 . 0 "[ . 1 ]"
2 7 U 0.000 0.000 . 0 "[ . 1 ]"
2 8 U 0.000 0.000 . 0 "[ . 1 ]"
2 9 U 0.000 0.000 . 0 "[ . 1 ]"
2 10 G 0.000 0.000 . 0 "[ . 1 ]"
2 11 C 0.000 0.000 . 0 "[ . 1 ]"
2 12 G 0.000 0.000 . 0 "[ . 1 ]"
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 C N4 2 12 G O6 . 2.800 3.250 2.988 2.956 2.995 . 0 0 "[ . 1 ]" 2
2 1 1 C N3 2 12 G N1 . 2.800 3.250 2.920 2.916 2.925 . 0 0 "[ . 1 ]" 2
3 1 1 C O2 2 12 G N2 . 2.800 3.250 2.949 2.936 2.959 . 0 0 "[ . 1 ]" 2
4 1 2 G O6 2 11 C N4 . 2.800 3.250 2.950 2.930 2.961 . 0 0 "[ . 1 ]" 2
5 1 2 G N1 2 11 C N3 . 2.800 3.250 2.914 2.910 2.926 . 0 0 "[ . 1 ]" 2
6 1 2 G N2 2 11 C O2 . 2.800 3.250 2.944 2.936 2.956 . 0 0 "[ . 1 ]" 2
7 1 3 C N4 2 10 G O6 . 2.800 3.250 2.976 2.953 2.988 . 0 0 "[ . 1 ]" 2
8 1 3 C N3 2 10 G N1 . 2.800 3.250 2.928 2.922 2.935 . 0 0 "[ . 1 ]" 2
9 1 3 C O2 2 10 G N2 . 2.800 3.250 2.932 2.923 2.945 . 0 0 "[ . 1 ]" 2
10 1 4 A N6 2 9 U O4 . 2.800 3.250 2.962 2.943 2.980 . 0 0 "[ . 1 ]" 2
11 1 4 A N1 2 9 U N3 . 2.800 3.250 2.913 2.903 2.922 . 0 0 "[ . 1 ]" 2
12 1 5 A N6 2 8 U O4 . 2.800 3.250 2.951 2.926 2.971 . 0 0 "[ . 1 ]" 2
13 1 5 A N1 2 8 U N3 . 2.800 3.250 2.940 2.932 2.951 . 0 0 "[ . 1 ]" 2
14 1 6 A N6 2 7 U O4 . 2.800 3.250 2.971 2.942 2.987 . 0 0 "[ . 1 ]" 2
15 1 6 A N1 2 7 U N3 . 2.800 3.250 2.922 2.903 2.940 . 0 0 "[ . 1 ]" 2
16 1 7 U O4 2 6 A N6 . 2.800 3.250 2.969 2.949 3.004 . 0 0 "[ . 1 ]" 2
17 1 7 U N3 2 6 A N1 . 2.800 3.250 2.914 2.903 2.936 . 0 0 "[ . 1 ]" 2
18 1 8 U O4 2 5 A N6 . 2.800 3.250 2.970 2.919 3.043 . 0 0 "[ . 1 ]" 2
19 1 8 U N3 2 5 A N1 . 2.800 3.250 2.930 2.901 2.951 . 0 0 "[ . 1 ]" 2
20 1 9 U O4 2 4 A N6 . 2.800 3.250 2.959 2.935 2.982 . 0 0 "[ . 1 ]" 2
21 1 9 U N3 2 4 A N1 . 2.800 3.250 2.916 2.902 2.932 . 0 0 "[ . 1 ]" 2
22 1 10 G O6 2 3 C N4 . 2.800 3.250 2.973 2.959 2.978 . 0 0 "[ . 1 ]" 2
23 1 10 G N1 2 3 C N3 . 2.800 3.250 2.929 2.921 2.943 . 0 0 "[ . 1 ]" 2
24 1 10 G N2 2 3 C O2 . 2.800 3.250 2.931 2.923 2.937 . 0 0 "[ . 1 ]" 2
25 1 11 C N4 2 2 G O6 . 2.800 3.250 2.955 2.946 2.973 . 0 0 "[ . 1 ]" 2
26 1 11 C N3 2 2 G N1 . 2.800 3.250 2.914 2.909 2.930 . 0 0 "[ . 1 ]" 2
27 1 11 C O2 2 2 G N2 . 2.800 3.250 2.942 2.935 2.945 . 0 0 "[ . 1 ]" 2
28 1 12 G O6 2 1 C N4 . 2.800 3.250 2.987 2.978 3.003 . 0 0 "[ . 1 ]" 2
29 1 12 G N1 2 1 C N3 . 2.800 3.250 2.919 2.913 2.931 . 0 0 "[ . 1 ]" 2
30 1 12 G N2 2 1 C O2 . 2.800 3.250 2.951 2.938 2.971 . 0 0 "[ . 1 ]" 2
stop_
save_
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