NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386190 |
1ldz   |
4226 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ldz
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 145
_Distance_constraint_stats_list.Viol_count 470
_Distance_constraint_stats_list.Viol_total 348.486
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0128
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_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 1.465 0.068 21 0 "[ . 1 . 2 .]"
1 2 C 1.465 0.068 21 0 "[ . 1 . 2 .]"
1 3 G 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 A 1.272 0.065 2 0 "[ . 1 . 2 .]"
1 5 C 1.876 0.065 2 0 "[ . 1 . 2 .]"
1 6 C 0.599 0.077 25 0 "[ . 1 . 2 .]"
1 7 G 0.836 0.077 25 0 "[ . 1 . 2 .]"
1 8 A 0.706 0.045 21 0 "[ . 1 . 2 .]"
1 9 G 0.109 0.021 13 0 "[ . 1 . 2 .]"
1 10 C 0.578 0.048 15 0 "[ . 1 . 2 .]"
1 11 C 0.333 0.048 15 0 "[ . 1 . 2 .]"
1 12 A 0.066 0.022 22 0 "[ . 1 . 2 .]"
1 13 G 0.354 0.032 5 0 "[ . 1 . 2 .]"
1 14 C 0.477 0.033 19 0 "[ . 1 . 2 .]"
1 15 G 0.355 0.033 19 0 "[ . 1 . 2 .]"
1 16 A 0.112 0.029 17 0 "[ . 1 . 2 .]"
1 17 A 3.147 0.086 21 0 "[ . 1 . 2 .]"
1 18 A 3.172 0.086 21 0 "[ . 1 . 2 .]"
1 19 G 1.954 0.095 16 0 "[ . 1 . 2 .]"
1 20 U 2.753 0.095 16 0 "[ . 1 . 2 .]"
1 21 U 1.049 0.075 2 0 "[ . 1 . 2 .]"
1 22 G 0.061 0.023 21 0 "[ . 1 . 2 .]"
1 23 G 0.054 0.019 23 0 "[ . 1 . 2 .]"
1 24 G 0.744 0.103 6 0 "[ . 1 . 2 .]"
1 25 A 1.102 0.103 6 0 "[ . 1 . 2 .]"
1 26 G 0.760 0.058 21 0 "[ . 1 . 2 .]"
1 27 U 0.595 0.048 17 0 "[ . 1 . 2 .]"
1 28 C 0.373 0.033 25 0 "[ . 1 . 2 .]"
1 29 G 0.344 0.050 16 0 "[ . 1 . 2 .]"
1 30 C 0.340 0.050 16 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 1 G H4' 1 1 G H8 3.900 . 4.700 4.444 4.349 4.523 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 G Q5' 1 1 G H8 3.900 . 5.700 2.948 2.523 3.816 . 0 0 "[ . 1 . 2 .]" 1
3 1 1 G H8 1 2 C H5 5.000 . 5.800 4.126 3.912 4.332 . 0 0 "[ . 1 . 2 .]" 1
4 1 1 G H3' 1 1 G H8 3.700 . 4.200 3.125 2.829 3.434 . 0 0 "[ . 1 . 2 .]" 1
5 1 1 G H1' 1 2 C H6 3.300 . 3.800 3.851 3.821 3.868 0.068 21 0 "[ . 1 . 2 .]" 1
6 1 1 G H2' 1 2 C H6 2.500 . 3.000 1.925 1.883 1.996 . 0 0 "[ . 1 . 2 .]" 1
7 1 2 C Q5' 1 2 C H6 3.400 . 5.200 3.095 2.845 3.204 . 0 0 "[ . 1 . 2 .]" 1
8 1 4 A H8 1 5 C H5 4.200 . 5.000 3.548 3.403 3.840 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 G H2' 1 4 A H8 2.500 . 3.000 2.599 2.464 2.919 . 0 0 "[ . 1 . 2 .]" 1
10 1 4 A Q5' 1 4 A H8 3.700 . 5.500 3.537 3.372 3.847 . 0 0 "[ . 1 . 2 .]" 1
11 1 4 A H1' 1 5 C H6 4.000 . 4.500 4.543 4.519 4.565 0.065 2 0 "[ . 1 . 2 .]" 1
12 1 5 C H6 1 6 C H5 3.700 . 4.200 3.937 3.053 4.214 0.014 24 0 "[ . 1 . 2 .]" 1
13 1 5 C Q5' 1 5 C H6 3.400 . 4.900 2.112 1.994 2.265 . 0 0 "[ . 1 . 2 .]" 1
14 1 5 C H3' 1 5 C H6 2.500 . 3.000 3.022 2.999 3.040 0.040 17 0 "[ . 1 . 2 .]" 1
15 1 5 C H5 1 6 C H6 4.400 . 5.200 5.008 4.372 5.234 0.034 1 0 "[ . 1 . 2 .]" 1
16 1 6 C H2' 1 7 G H8 3.300 . 3.800 3.603 2.479 3.877 0.077 25 0 "[ . 1 . 2 .]" 1
17 1 7 G H1' 1 8 A H8 4.600 . 5.400 3.734 2.478 5.350 . 0 0 "[ . 1 . 2 .]" 1
18 1 8 A H8 1 10 C H1' 5.000 . 6.200 6.157 5.841 6.237 0.037 15 0 "[ . 1 . 2 .]" 1
19 1 9 G Q5' 1 9 G H8 4.700 . 6.900 4.360 3.839 4.951 . 0 0 "[ . 1 . 2 .]" 1
20 1 10 C H6 1 11 C H5 3.700 . 4.500 4.104 3.537 4.516 0.016 11 0 "[ . 1 . 2 .]" 1
21 1 9 G H4' 1 10 C H6 5.500 . 5.500 2.770 2.200 3.422 . 0 0 "[ . 1 . 2 .]" 1
22 1 10 C H1' 1 11 C H6 5.000 . 5.000 4.995 4.739 5.048 0.048 15 0 "[ . 1 . 2 .]" 1
23 1 10 C H2' 1 11 C H6 2.700 . 3.200 2.302 2.048 2.541 . 0 0 "[ . 1 . 2 .]" 1
24 1 11 C H1' 1 12 A H8 4.300 . 5.100 4.774 4.485 5.058 . 0 0 "[ . 1 . 2 .]" 1
25 1 11 C H2' 1 12 A H8 2.700 . 3.200 2.123 2.010 2.327 . 0 0 "[ . 1 . 2 .]" 1
26 1 12 A H3' 1 12 A H8 3.600 . 4.100 3.062 2.867 3.315 . 0 0 "[ . 1 . 2 .]" 1
27 1 12 A Q5' 1 12 A H8 3.600 . 5.400 3.581 3.231 3.887 . 0 0 "[ . 1 . 2 .]" 1
28 1 12 A H1' 1 13 G H8 4.400 . 5.200 4.625 4.285 5.181 . 0 0 "[ . 1 . 2 .]" 1
29 1 13 G H8 1 14 C H5 3.800 . 4.300 3.860 3.483 4.055 . 0 0 "[ . 1 . 2 .]" 1
30 1 12 A H2' 1 13 G H8 2.600 . 3.100 2.516 2.140 3.118 0.018 7 0 "[ . 1 . 2 .]" 1
31 1 13 G Q5' 1 13 G H8 3.600 . 5.400 2.605 2.254 3.031 . 0 0 "[ . 1 . 2 .]" 1
32 1 13 G H3' 1 13 G H8 4.100 . 4.900 3.437 3.034 3.745 . 0 0 "[ . 1 . 2 .]" 1
33 1 13 G H1' 1 14 C H6 4.100 . 4.900 4.908 4.807 4.932 0.032 5 0 "[ . 1 . 2 .]" 1
34 1 14 C Q5' 1 14 C H6 4.000 . 5.800 3.134 2.585 3.497 . 0 0 "[ . 1 . 2 .]" 1
35 1 14 C H1' 1 15 G H8 4.300 . 5.100 4.908 4.525 5.133 0.033 19 0 "[ . 1 . 2 .]" 1
36 1 14 C H2' 1 15 G H8 2.700 . 3.200 2.588 2.122 2.975 . 0 0 "[ . 1 . 2 .]" 1
37 1 15 G Q5' 1 15 G H8 3.600 . 5.400 2.440 2.179 3.384 . 0 0 "[ . 1 . 2 .]" 1
38 1 14 C H5 1 15 G H8 3.900 . 4.400 4.269 3.896 4.431 0.031 12 0 "[ . 1 . 2 .]" 1
39 1 15 G H3' 1 15 G H8 2.700 . 3.200 3.158 2.786 3.230 0.030 14 0 "[ . 1 . 2 .]" 1
40 1 16 A H4' 1 16 A H8 3.900 . 4.700 4.309 4.141 4.675 . 0 0 "[ . 1 . 2 .]" 1
41 1 16 A Q5' 1 16 A H8 3.900 . 5.400 3.083 2.116 4.173 . 0 0 "[ . 1 . 2 .]" 1
42 1 15 G H1' 1 16 A H8 5.400 . 6.200 5.454 4.638 6.109 . 0 0 "[ . 1 . 2 .]" 1
43 1 15 G H3' 1 16 A H8 4.700 . 6.200 4.951 4.320 6.218 0.018 11 0 "[ . 1 . 2 .]" 1
44 1 15 G H4' 1 16 A H8 4.800 . 5.600 4.740 3.952 5.504 . 0 0 "[ . 1 . 2 .]" 1
45 1 17 A Q5' 1 17 A H8 3.600 . 5.100 3.025 1.992 3.424 . 0 0 "[ . 1 . 2 .]" 1
46 1 17 A H3' 1 17 A H8 2.700 . 3.200 2.382 2.083 2.622 . 0 0 "[ . 1 . 2 .]" 1
47 1 18 A H3' 1 18 A H8 2.800 . 3.300 2.847 2.534 3.118 . 0 0 "[ . 1 . 2 .]" 1
48 1 17 A H2' 1 18 A H8 3.200 . 3.700 3.227 2.913 3.730 0.030 15 0 "[ . 1 . 2 .]" 1
49 1 18 A H8 1 19 G H1' 4.000 . 4.500 4.033 3.262 4.534 0.034 16 0 "[ . 1 . 2 .]" 1
50 1 19 G H8 1 20 U H5 4.200 . 5.400 3.282 3.063 3.585 . 0 0 "[ . 1 . 2 .]" 1
51 1 18 A H3' 1 19 G H8 4.300 . 5.800 2.544 1.887 3.019 . 0 0 "[ . 1 . 2 .]" 1
52 1 19 G Q5' 1 19 G H8 3.300 . 4.800 2.768 2.399 3.596 . 0 0 "[ . 1 . 2 .]" 1
53 1 18 A H1' 1 19 G H8 5.500 . 6.300 5.650 5.239 6.127 . 0 0 "[ . 1 . 2 .]" 1
54 1 19 G H3' 1 19 G H8 3.000 . 3.500 3.419 3.087 3.531 0.031 22 0 "[ . 1 . 2 .]" 1
55 1 20 U H6 1 21 U H5 4.400 . 5.400 4.807 4.388 5.193 . 0 0 "[ . 1 . 2 .]" 1
56 1 19 G H2' 1 20 U H6 2.800 . 3.300 1.962 1.910 2.016 . 0 0 "[ . 1 . 2 .]" 1
57 1 19 G H1' 1 20 U H6 3.900 . 4.400 4.469 4.449 4.495 0.095 16 0 "[ . 1 . 2 .]" 1
58 1 20 U H2' 1 21 U H6 2.200 . 2.700 2.016 1.875 2.120 . 0 0 "[ . 1 . 2 .]" 1
59 1 20 U H1' 1 21 U H6 3.600 . 4.100 4.141 4.114 4.175 0.075 2 0 "[ . 1 . 2 .]" 1
60 1 22 G Q5' 1 22 G H8 3.400 . 5.200 3.155 2.171 3.761 . 0 0 "[ . 1 . 2 .]" 1
61 1 21 U H1' 1 22 G H8 5.000 . 5.000 4.796 4.614 5.023 0.023 21 0 "[ . 1 . 2 .]" 1
62 1 22 G H1' 1 23 G H8 4.200 . 5.000 4.721 4.391 5.008 0.008 15 0 "[ . 1 . 2 .]" 1
63 1 22 G H2' 1 23 G H8 2.900 . 3.400 2.426 2.035 2.933 . 0 0 "[ . 1 . 2 .]" 1
64 1 23 G Q5' 1 23 G H8 3.500 . 5.300 2.932 2.272 3.824 . 0 0 "[ . 1 . 2 .]" 1
65 1 23 G H2' 1 24 G H8 2.900 . 3.400 2.588 2.143 3.419 0.019 23 0 "[ . 1 . 2 .]" 1
66 1 24 G H1' 1 25 A H8 4.300 . 5.100 4.478 2.170 5.134 0.034 25 0 "[ . 1 . 2 .]" 1
67 1 25 A Q5' 1 25 A H8 3.800 . 5.300 3.242 2.359 4.208 . 0 0 "[ . 1 . 2 .]" 1
68 1 25 A H3' 1 25 A H8 4.000 . 4.800 3.820 3.319 4.308 . 0 0 "[ . 1 . 2 .]" 1
69 1 25 A H1' 1 26 G H8 4.300 . 5.100 4.827 4.674 5.032 . 0 0 "[ . 1 . 2 .]" 1
70 1 26 G H8 1 27 U H5 3.800 . 4.300 4.202 3.733 4.348 0.048 17 0 "[ . 1 . 2 .]" 1
71 1 25 A H2' 1 26 G H8 3.100 . 3.600 2.130 1.980 2.618 . 0 0 "[ . 1 . 2 .]" 1
72 1 26 G Q5' 1 26 G H8 3.300 . 4.800 3.334 2.312 3.922 . 0 0 "[ . 1 . 2 .]" 1
73 1 29 G H8 1 30 C H5 3.800 . 4.300 3.659 3.161 4.040 . 0 0 "[ . 1 . 2 .]" 1
74 1 29 G H2' 1 30 C H6 2.800 . 3.300 2.231 1.995 2.430 . 0 0 "[ . 1 . 2 .]" 1
75 1 30 C Q5' 1 30 C H6 3.100 . 4.600 2.585 2.046 3.584 . 0 0 "[ . 1 . 2 .]" 1
76 1 29 G H1' 1 30 C H6 4.000 . 4.800 4.795 4.535 4.850 0.050 16 0 "[ . 1 . 2 .]" 1
77 1 4 A H2 1 28 C H1' 3.700 . 4.200 4.179 4.062 4.223 0.023 15 0 "[ . 1 . 2 .]" 1
78 1 4 A H2 1 5 C H1' 3.700 . 4.200 4.002 3.352 4.229 0.029 25 0 "[ . 1 . 2 .]" 1
79 1 12 A H2 1 22 G H1' 3.900 . 4.700 3.973 3.256 4.715 0.015 17 0 "[ . 1 . 2 .]" 1
80 1 12 A H2 1 13 G H1' 3.800 . 4.600 3.844 3.034 4.622 0.022 22 0 "[ . 1 . 2 .]" 1
81 1 16 A H2 1 17 A H1' 3.800 . 4.600 4.123 2.669 4.618 0.018 22 0 "[ . 1 . 2 .]" 1
82 1 17 A H2 1 18 A H1' 3.700 . 5.500 5.554 5.515 5.573 0.073 23 0 "[ . 1 . 2 .]" 1
83 1 17 A H1' 1 18 A H2 4.600 . 5.800 5.867 5.831 5.886 0.086 21 0 "[ . 1 . 2 .]" 1
84 1 18 A H2 1 19 G H1' 4.800 . 6.600 4.689 4.200 5.330 . 0 0 "[ . 1 . 2 .]" 1
85 1 18 A H1' 1 18 A H2 5.000 . 6.800 4.580 4.531 4.614 . 0 0 "[ . 1 . 2 .]" 1
86 1 7 G H1' 1 25 A H2 4.400 . 6.600 4.141 3.266 6.000 . 0 0 "[ . 1 . 2 .]" 1
87 1 20 U H5 1 21 U H5 4.300 . 5.500 4.875 4.414 5.414 . 0 0 "[ . 1 . 2 .]" 1
88 1 19 G H4' 1 20 U H5 4.400 . 5.600 5.410 5.231 5.609 0.009 6 0 "[ . 1 . 2 .]" 1
89 1 19 G H3' 1 20 U H5 3.100 . 3.600 2.596 2.383 2.750 . 0 0 "[ . 1 . 2 .]" 1
90 1 20 U H3' 1 21 U H5 4.100 . 5.300 4.331 3.702 5.164 . 0 0 "[ . 1 . 2 .]" 1
91 1 27 U H5 1 28 C H5 4.200 . 5.400 3.923 3.458 4.432 . 0 0 "[ . 1 . 2 .]" 1
92 1 26 G H1' 1 27 U H5 5.500 . 5.500 5.472 5.138 5.529 0.029 12 0 "[ . 1 . 2 .]" 1
93 1 1 G H1' 1 2 C H5 3.800 . 4.300 4.235 3.983 4.333 0.033 18 0 "[ . 1 . 2 .]" 1
94 1 1 G H3' 1 2 C H5 3.800 . 4.600 4.039 3.658 4.332 . 0 0 "[ . 1 . 2 .]" 1
95 1 5 C H5 1 6 C H5 3.700 . 4.500 3.583 3.045 3.844 . 0 0 "[ . 1 . 2 .]" 1
96 1 11 C H3' 1 11 C H5 4.200 . 5.400 4.704 4.417 4.911 . 0 0 "[ . 1 . 2 .]" 1
97 1 13 G H3' 1 14 C H5 3.900 . 4.700 2.782 2.176 3.387 . 0 0 "[ . 1 . 2 .]" 1
98 1 27 U H1' 1 28 C H5 3.900 . 4.700 4.672 4.529 4.733 0.033 25 0 "[ . 1 . 2 .]" 1
99 1 29 G H3' 1 30 C H5 4.700 . 5.900 4.181 3.261 4.976 . 0 0 "[ . 1 . 2 .]" 1
100 1 1 G H2' 1 2 C H1' 4.200 . 5.400 5.387 5.323 5.429 0.029 12 0 "[ . 1 . 2 .]" 1
101 1 4 A H1' 1 5 C H1' 4.400 . 5.200 4.532 4.163 4.741 . 0 0 "[ . 1 . 2 .]" 1
102 1 4 A H2' 1 5 C H1' 4.800 . 5.600 3.614 3.318 3.900 . 0 0 "[ . 1 . 2 .]" 1
103 1 6 C H2' 1 7 G H1' 4.400 . 5.600 4.397 3.745 5.414 . 0 0 "[ . 1 . 2 .]" 1
104 1 16 A H2' 1 17 A H1' 3.700 . 4.500 3.676 3.116 4.515 0.015 24 0 "[ . 1 . 2 .]" 1
105 1 17 A H1' 1 18 A H1' 3.800 . 4.300 4.124 3.824 4.256 . 0 0 "[ . 1 . 2 .]" 1
106 1 24 G H2' 1 25 A H1' 5.500 . 5.500 4.535 2.634 5.542 0.042 10 0 "[ . 1 . 2 .]" 1
107 1 25 A H2 1 26 G H1' 3.200 . 4.700 3.844 2.819 4.716 0.016 25 0 "[ . 1 . 2 .]" 1
108 1 25 A H2' 1 26 G H1' 3.800 . 4.600 4.307 2.740 4.643 0.043 10 0 "[ . 1 . 2 .]" 1
109 1 24 G H4' 1 24 G H8 4.500 . 5.700 4.456 4.156 5.057 . 0 0 "[ . 1 . 2 .]" 1
110 1 25 A H4' 1 26 G H8 4.000 . 5.200 5.106 4.803 5.258 0.058 21 0 "[ . 1 . 2 .]" 1
111 1 18 A H1' 1 19 G H4' 4.600 . 5.800 5.685 5.446 5.815 0.015 5 0 "[ . 1 . 2 .]" 1
112 1 18 A H4' 1 18 A H8 3.900 . 4.700 4.357 4.198 4.480 . 0 0 "[ . 1 . 2 .]" 1
113 1 6 C H4' 1 6 C H6 3.800 . 4.600 4.031 3.825 4.186 . 0 0 "[ . 1 . 2 .]" 1
114 1 18 A H2' 1 18 A H8 3.400 . 4.200 3.609 3.385 3.743 . 0 0 "[ . 1 . 2 .]" 1
115 1 18 A H2' 1 19 G H8 3.600 . 4.400 3.732 3.101 4.416 0.016 2 0 "[ . 1 . 2 .]" 1
116 1 18 A H2' 1 19 G H4' 2.700 . 3.200 3.037 2.778 3.200 0.000 16 0 "[ . 1 . 2 .]" 1
117 1 15 G H2' 1 17 A H8 3.600 . 4.100 3.671 3.170 4.088 . 0 0 "[ . 1 . 2 .]" 1
118 1 4 A H2' 1 5 C H6 2.800 . 3.300 2.106 2.025 2.250 . 0 0 "[ . 1 . 2 .]" 1
119 1 7 G H3' 1 8 A H8 3.600 . 4.400 4.176 2.217 4.426 0.026 23 0 "[ . 1 . 2 .]" 1
120 1 20 U H2' 1 20 U H6 3.600 . 4.100 3.703 3.576 3.787 . 0 0 "[ . 1 . 2 .]" 1
121 1 28 C H2' 1 29 G H8 2.700 . 3.200 2.725 2.291 3.204 0.004 19 0 "[ . 1 . 2 .]" 1
122 1 21 U H2' 1 22 G H8 2.700 . 3.200 2.215 2.058 2.541 . 0 0 "[ . 1 . 2 .]" 1
123 1 13 G H2' 1 14 C H6 2.900 . 3.400 2.187 2.091 2.251 . 0 0 "[ . 1 . 2 .]" 1
124 1 26 G H2' 1 27 U H6 2.700 . 3.200 2.208 1.913 2.438 . 0 0 "[ . 1 . 2 .]" 1
125 1 16 A H3' 1 17 A H8 3.000 . 4.200 3.311 2.405 4.229 0.029 17 0 "[ . 1 . 2 .]" 1
126 1 27 U H3' 1 27 U H6 3.100 . 3.600 3.078 2.422 3.543 . 0 0 "[ . 1 . 2 .]" 1
127 1 5 C H2' 1 6 C H6 2.700 . 3.200 2.803 2.293 3.219 0.019 19 0 "[ . 1 . 2 .]" 1
128 1 8 A H2 1 25 A H1' 4.600 . 6.400 5.055 3.731 6.425 0.025 9 0 "[ . 1 . 2 .]" 1
129 1 8 A H2 1 9 G H1' 4.100 . 5.900 5.762 5.265 5.916 0.016 25 0 "[ . 1 . 2 .]" 1
130 1 8 A H2 1 10 C H5 5.500 . 5.500 5.082 3.863 5.516 0.016 16 0 "[ . 1 . 2 .]" 1
131 1 24 G H8 1 25 A H8 5.100 . 5.900 5.779 4.969 5.961 0.061 11 0 "[ . 1 . 2 .]" 1
132 1 7 G H4' 1 8 A H8 4.500 . 4.500 4.224 3.233 4.545 0.045 21 0 "[ . 1 . 2 .]" 1
133 1 24 G Q5' 1 24 G H8 4.500 . 5.500 3.319 2.223 4.349 . 0 0 "[ . 1 . 2 .]" 1
134 1 24 G H2' 1 25 A H8 3.500 . 3.500 2.609 2.047 3.603 0.103 6 0 "[ . 1 . 2 .]" 1
135 1 9 G H1' 1 10 C Q5' 4.500 . 5.500 4.649 4.618 4.732 . 0 0 "[ . 1 . 2 .]" 1
136 1 9 G H4' 1 10 C Q5' 4.500 . 5.500 2.111 1.992 2.217 . 0 0 "[ . 1 . 2 .]" 1
137 1 6 C H2' 1 7 G Q5' 3.500 . 4.500 3.576 2.772 4.122 . 0 0 "[ . 1 . 2 .]" 1
138 1 7 G H1' 1 8 A Q5' 4.500 . 5.500 4.459 3.959 4.981 . 0 0 "[ . 1 . 2 .]" 1
139 1 9 G H4' 1 10 C H4' 4.500 . 4.500 2.937 2.630 3.174 . 0 0 "[ . 1 . 2 .]" 1
140 1 9 G H3' 1 10 C H6 4.500 . 4.500 4.102 3.843 4.508 0.008 9 0 "[ . 1 . 2 .]" 1
141 1 9 G H2' 1 10 C Q5' 4.500 . 5.500 4.504 4.352 4.575 . 0 0 "[ . 1 . 2 .]" 1
142 1 9 G Q5' 1 10 C Q5' 4.500 . 7.300 2.248 2.112 2.569 . 0 0 "[ . 1 . 2 .]" 1
143 1 8 A Q5' 1 8 A H8 4.500 . 5.500 2.944 2.336 3.568 . 0 0 "[ . 1 . 2 .]" 1
144 1 8 A H3' 1 8 A H8 3.600 . 4.100 2.640 2.319 3.126 . 0 0 "[ . 1 . 2 .]" 1
145 1 7 G H4' 1 9 G H8 4.500 . 5.700 5.236 3.957 5.721 0.021 13 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 25
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.119
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0002
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0048
_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 C 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 G 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 A 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 C 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 C 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 C 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 A 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 G 0.005 0.005 24 0 "[ . 1 . 2 .]"
1 14 C 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 G 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 A 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 A 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 G 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 U 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 U 0.005 0.005 24 0 "[ . 1 . 2 .]"
1 22 G 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 G 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 G 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 U 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 C 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 G 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 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 13 G H1 1 20 U H3 3.000 . 4.000 3.216 2.568 3.522 . 0 0 "[ . 1 . 2 .]" 2
2 1 26 G H1 1 27 U H3 4.200 . 5.800 2.922 2.691 3.303 . 0 0 "[ . 1 . 2 .]" 2
3 1 3 G H1 1 27 U H3 4.200 . 5.800 3.677 3.047 4.230 . 0 0 "[ . 1 . 2 .]" 2
4 1 21 U H3 1 22 G H1 4.200 . 5.800 4.510 4.047 4.990 . 0 0 "[ . 1 . 2 .]" 2
5 1 20 U H3 1 21 U H3 4.200 . 5.800 4.691 3.977 5.566 . 0 0 "[ . 1 . 2 .]" 2
6 1 13 G H1 1 21 U H3 4.200 . 5.800 4.167 3.671 4.734 . 0 0 "[ . 1 . 2 .]" 2
7 1 19 G H1 1 20 U H3 4.200 . 5.800 3.923 3.639 4.205 . 0 0 "[ . 1 . 2 .]" 2
8 1 13 G H1 1 19 G H1 4.200 . 5.800 3.556 2.372 4.456 . 0 0 "[ . 1 . 2 .]" 2
9 1 22 G H1 1 23 G H1 4.200 . 5.800 4.573 4.121 5.373 . 0 0 "[ . 1 . 2 .]" 2
10 1 3 G H1 1 29 G H1 4.200 . 5.800 4.366 3.555 5.406 . 0 0 "[ . 1 . 2 .]" 2
11 1 15 G H1 1 19 G H1 4.200 . 6.500 5.784 5.400 6.493 . 0 0 "[ . 1 . 2 .]" 2
12 1 4 A H2 1 27 U H3 2.800 . 4.000 3.083 2.386 3.379 . 0 0 "[ . 1 . 2 .]" 2
13 1 12 A H2 1 21 U H3 2.800 . 4.000 2.654 2.430 2.959 . 0 0 "[ . 1 . 2 .]" 2
14 1 1 G H1 1 30 C N4 3.900 . 6.000 3.097 2.845 3.485 . 0 0 "[ . 1 . 2 .]" 2
15 1 5 C N4 1 26 G H1 3.900 . 6.000 2.691 2.437 2.953 . 0 0 "[ . 1 . 2 .]" 2
16 1 14 C N4 1 19 G H1 3.900 . 6.000 3.655 3.476 3.766 . 0 0 "[ . 1 . 2 .]" 2
17 1 2 C N4 1 29 G H1 3.900 . 6.000 2.863 2.575 3.211 . 0 0 "[ . 1 . 2 .]" 2
18 1 10 C N4 1 23 G H1 3.900 . 6.000 2.912 2.608 3.422 . 0 0 "[ . 1 . 2 .]" 2
19 1 3 G H1 1 28 C N4 3.900 . 6.000 3.178 2.730 3.395 . 0 0 "[ . 1 . 2 .]" 2
20 1 11 C N4 1 22 G H1 3.900 . 6.000 3.284 2.771 3.720 . 0 0 "[ . 1 . 2 .]" 2
21 1 15 G N2 1 18 A H8 3.900 . 6.500 2.644 2.334 3.165 . 0 0 "[ . 1 . 2 .]" 2
22 1 15 G N2 1 17 A H8 3.900 . 6.500 2.831 2.347 3.602 . 0 0 "[ . 1 . 2 .]" 2
23 1 13 G N2 1 19 G H1 3.900 . 6.000 4.887 3.898 5.657 . 0 0 "[ . 1 . 2 .]" 2
24 1 13 G N2 1 21 U H3 3.900 . 6.000 5.302 4.596 6.005 0.005 24 0 "[ . 1 . 2 .]" 2
25 1 13 G N2 1 20 U H3 3.900 . 6.000 5.669 5.040 5.974 . 0 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 2
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.457
_Distance_constraint_stats_list.Viol_max 0.010
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0061
_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 8 A 0.004 0.004 17 0 "[ . 1 . 2 .]"
1 16 A 0.015 0.010 24 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 8 A H1' 1 8 A H4' 3.350 3.050 3.650 3.523 3.104 3.654 0.004 17 0 "[ . 1 . 2 .]" 3
2 1 16 A H1' 1 16 A H4' 3.350 3.050 3.650 3.424 3.040 3.566 0.010 24 0 "[ . 1 . 2 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 143
_Distance_constraint_stats_list.Viol_total 97.990
_Distance_constraint_stats_list.Viol_max 0.079
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0274
_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 C 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 G 0.037 0.015 12 0 "[ . 1 . 2 .]"
1 4 A 0.232 0.031 16 0 "[ . 1 . 2 .]"
1 5 C 1.254 0.079 25 0 "[ . 1 . 2 .]"
1 7 G 0.025 0.025 25 0 "[ . 1 . 2 .]"
1 8 A 0.204 0.055 25 0 "[ . 1 . 2 .]"
1 11 C 0.026 0.014 9 0 "[ . 1 . 2 .]"
1 12 A 0.501 0.049 17 0 "[ . 1 . 2 .]"
1 13 G 0.410 0.037 19 0 "[ . 1 . 2 .]"
1 14 C 0.016 0.016 20 0 "[ . 1 . 2 .]"
1 15 G 0.008 0.008 8 0 "[ . 1 . 2 .]"
1 16 A 0.043 0.016 4 0 "[ . 1 . 2 .]"
1 17 A 1.416 0.078 6 0 "[ . 1 . 2 .]"
1 18 A 1.373 0.078 6 0 "[ . 1 . 2 .]"
1 19 G 0.008 0.008 8 0 "[ . 1 . 2 .]"
1 20 U 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 U 0.026 0.014 9 0 "[ . 1 . 2 .]"
1 22 G 0.235 0.049 17 0 "[ . 1 . 2 .]"
1 23 G 0.128 0.023 3 0 "[ . 1 . 2 .]"
1 24 G 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 A 1.537 0.079 25 0 "[ . 1 . 2 .]"
1 26 G 0.285 0.050 6 0 "[ . 1 . 2 .]"
1 27 U 0.032 0.015 12 0 "[ . 1 . 2 .]"
1 28 C 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 G 0.023 0.016 20 0 "[ . 1 . 2 .]"
1 30 C 0.019 0.016 20 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 26 G N2 1 27 U H1' 3.900 . 6.000 3.414 2.970 4.297 . 0 0 "[ . 1 . 2 .]" 4
2 1 1 G N2 1 2 C H1' 3.900 . 6.000 5.196 4.454 5.850 . 0 0 "[ . 1 . 2 .]" 4
3 1 19 G N2 1 20 U H1' 3.900 . 6.000 2.826 2.528 3.391 . 0 0 "[ . 1 . 2 .]" 4
4 1 15 G H1' 1 19 G N2 3.900 . 6.500 5.060 3.722 6.508 0.008 8 0 "[ . 1 . 2 .]" 4
5 1 29 G N2 1 30 C H1' 3.900 . 6.000 4.695 2.947 6.016 0.016 20 0 "[ . 1 . 2 .]" 4
6 1 3 G H1' 1 29 G N2 3.900 . 6.000 3.834 3.031 5.497 . 0 0 "[ . 1 . 2 .]" 4
7 1 11 C H1' 1 23 G N2 3.900 . 6.000 3.752 2.860 4.950 . 0 0 "[ . 1 . 2 .]" 4
8 1 3 G N2 1 4 A H1' 3.900 . 6.000 3.853 3.127 5.707 . 0 0 "[ . 1 . 2 .]" 4
9 1 3 G N2 1 29 G H1' 3.900 . 6.000 5.303 4.396 6.004 0.004 2 0 "[ . 1 . 2 .]" 4
10 1 22 G N2 1 23 G H1' 3.900 . 6.000 3.289 2.519 4.918 . 0 0 "[ . 1 . 2 .]" 4
11 1 12 A H1' 1 22 G N2 3.900 . 6.000 3.349 2.797 4.203 . 0 0 "[ . 1 . 2 .]" 4
12 1 13 G N2 1 14 C H1' 3.900 . 6.000 3.564 3.162 4.892 . 0 0 "[ . 1 . 2 .]" 4
13 1 13 G N2 1 21 U H1' 3.900 . 6.000 3.068 2.408 4.551 . 0 0 "[ . 1 . 2 .]" 4
14 1 14 C N4 1 20 U H3 3.900 . 6.000 4.172 3.388 4.775 . 0 0 "[ . 1 . 2 .]" 4
15 1 13 G H1 1 14 C N4 3.900 . 6.000 4.446 4.062 4.833 . 0 0 "[ . 1 . 2 .]" 4
16 1 3 G N2 1 27 U H3 3.900 . 6.000 5.579 4.964 6.015 0.015 12 0 "[ . 1 . 2 .]" 4
17 1 5 C N4 1 27 U H3 3.900 . 6.000 4.614 4.123 5.062 . 0 0 "[ . 1 . 2 .]" 4
18 1 11 C N4 1 21 U H3 3.900 . 6.000 5.577 4.932 6.014 0.014 9 0 "[ . 1 . 2 .]" 4
19 1 28 C N4 1 29 G H1 3.900 . 6.000 5.233 4.778 5.970 . 0 0 "[ . 1 . 2 .]" 4
20 1 5 C N4 1 25 A H2 3.900 . 6.000 6.041 6.010 6.079 0.079 25 0 "[ . 1 . 2 .]" 4
21 1 4 A N6 1 27 U H3 4.000 . 7.000 2.641 2.468 3.414 . 0 0 "[ . 1 . 2 .]" 4
22 1 4 A N6 1 26 G H1 4.000 . 7.000 3.255 2.729 3.992 . 0 0 "[ . 1 . 2 .]" 4
23 1 3 G H1 1 4 A N6 4.000 . 7.000 3.946 3.311 4.553 . 0 0 "[ . 1 . 2 .]" 4
24 1 4 A N6 1 28 C N4 4.000 . 8.000 4.729 4.118 5.077 . 0 0 "[ . 1 . 2 .]" 4
25 1 4 A N6 1 5 C N4 4.000 . 8.000 3.085 2.825 3.308 . 0 0 "[ . 1 . 2 .]" 4
26 1 12 A N6 1 21 U H3 4.000 . 7.000 3.107 2.669 3.414 . 0 0 "[ . 1 . 2 .]" 4
27 1 12 A N6 1 22 G H1 4.000 . 7.000 3.644 3.081 4.166 . 0 0 "[ . 1 . 2 .]" 4
28 1 11 C N4 1 12 A N6 4.000 . 8.000 3.357 2.955 4.119 . 0 0 "[ . 1 . 2 .]" 4
29 1 26 G N2 1 27 U H3 4.000 . 7.000 4.064 3.727 4.548 . 0 0 "[ . 1 . 2 .]" 4
30 1 13 G H1 1 19 G N2 4.000 . 7.000 4.770 3.507 5.533 . 0 0 "[ . 1 . 2 .]" 4
31 1 12 A H2 1 22 G N2 4.000 . 7.000 4.324 3.918 4.757 . 0 0 "[ . 1 . 2 .]" 4
32 1 3 G N2 1 4 A H2 4.000 . 7.000 3.741 3.225 4.960 . 0 0 "[ . 1 . 2 .]" 4
33 1 14 C N4 1 15 G H1 4.000 . 7.000 5.213 4.272 6.030 . 0 0 "[ . 1 . 2 .]" 4
34 1 15 G H1' 1 18 A N6 3.000 . 7.000 3.256 2.352 4.239 . 0 0 "[ . 1 . 2 .]" 4
35 1 18 A N6 1 19 G H1 4.000 . 7.000 5.047 4.000 6.284 . 0 0 "[ . 1 . 2 .]" 4
36 1 16 A H8 1 17 A N6 4.000 . 7.000 5.055 4.386 6.086 . 0 0 "[ . 1 . 2 .]" 4
37 1 17 A N6 1 18 A H2 4.000 . 7.000 4.578 3.786 5.454 . 0 0 "[ . 1 . 2 .]" 4
38 1 15 G H1' 1 17 A N6 4.000 . 7.000 3.170 2.607 4.060 . 0 0 "[ . 1 . 2 .]" 4
39 1 16 A N6 1 17 A H2 4.000 . 7.000 3.146 2.435 3.981 . 0 0 "[ . 1 . 2 .]" 4
40 1 12 A H2 1 13 G H8 4.200 . 4.200 4.195 3.987 4.237 0.037 19 0 "[ . 1 . 2 .]" 4
41 1 12 A H2 1 22 G H8 5.500 . 5.500 5.174 4.502 5.549 0.049 17 0 "[ . 1 . 2 .]" 4
42 1 22 G H8 1 23 G H8 4.200 . 4.200 4.104 3.694 4.223 0.023 3 0 "[ . 1 . 2 .]" 4
43 1 25 A H2 1 26 G H8 5.500 . 5.500 4.711 3.963 5.472 . 0 0 "[ . 1 . 2 .]" 4
44 1 17 A H2 1 18 A H2 3.750 . 4.750 3.120 2.899 3.474 . 0 0 "[ . 1 . 2 .]" 4
45 1 7 G H8 1 25 A H2 4.200 . 4.200 3.356 2.088 4.225 0.025 25 0 "[ . 1 . 2 .]" 4
46 1 18 A H8 1 19 G H8 5.500 . 5.500 3.036 2.631 3.386 . 0 0 "[ . 1 . 2 .]" 4
47 1 25 A H8 1 26 G H8 5.500 . 5.500 5.387 4.694 5.550 0.050 6 0 "[ . 1 . 2 .]" 4
48 1 16 A H8 1 17 A H8 5.500 . 5.500 5.222 4.527 5.516 0.016 4 0 "[ . 1 . 2 .]" 4
49 1 12 A H8 1 13 G H8 5.500 . 5.500 4.806 4.502 5.064 . 0 0 "[ . 1 . 2 .]" 4
50 1 14 C H6 1 15 G H8 5.500 . 5.500 4.010 3.769 4.510 . 0 0 "[ . 1 . 2 .]" 4
51 1 13 G H8 1 14 C H6 5.500 . 5.500 5.269 4.759 5.516 0.016 20 0 "[ . 1 . 2 .]" 4
52 1 21 U H6 1 22 G H8 5.500 . 5.500 5.078 4.214 5.411 . 0 0 "[ . 1 . 2 .]" 4
53 1 4 A H8 1 5 C H6 3.750 . 3.750 3.738 3.601 3.781 0.031 16 0 "[ . 1 . 2 .]" 4
54 1 17 A H8 1 18 A H8 4.200 . 4.200 4.255 4.232 4.278 0.078 6 0 "[ . 1 . 2 .]" 4
55 1 23 G H8 1 24 G H8 5.500 . 5.500 4.871 4.113 5.496 . 0 0 "[ . 1 . 2 .]" 4
56 1 8 A H8 1 25 A H2 5.500 . 5.500 5.402 4.823 5.555 0.055 25 0 "[ . 1 . 2 .]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 227
_Distance_constraint_stats_list.Viol_total 28.047
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0049
_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 0.223 0.012 22 0 "[ . 1 . 2 .]"
1 2 C 0.200 0.016 16 0 "[ . 1 . 2 .]"
1 3 G 0.099 0.007 11 0 "[ . 1 . 2 .]"
1 4 A 0.089 0.008 4 0 "[ . 1 . 2 .]"
1 5 C 0.050 0.015 21 0 "[ . 1 . 2 .]"
1 6 C 0.124 0.014 17 0 "[ . 1 . 2 .]"
1 10 C 0.038 0.007 18 0 "[ . 1 . 2 .]"
1 11 C 0.024 0.007 19 0 "[ . 1 . 2 .]"
1 12 A 0.070 0.014 16 0 "[ . 1 . 2 .]"
1 13 G 0.057 0.010 19 0 "[ . 1 . 2 .]"
1 14 C 0.147 0.011 3 0 "[ . 1 . 2 .]"
1 19 G 0.147 0.011 3 0 "[ . 1 . 2 .]"
1 20 U 0.057 0.010 19 0 "[ . 1 . 2 .]"
1 21 U 0.070 0.014 16 0 "[ . 1 . 2 .]"
1 22 G 0.024 0.007 19 0 "[ . 1 . 2 .]"
1 23 G 0.038 0.007 18 0 "[ . 1 . 2 .]"
1 25 A 0.124 0.014 17 0 "[ . 1 . 2 .]"
1 26 G 0.050 0.015 21 0 "[ . 1 . 2 .]"
1 27 U 0.089 0.008 4 0 "[ . 1 . 2 .]"
1 28 C 0.099 0.007 11 0 "[ . 1 . 2 .]"
1 29 G 0.200 0.016 16 0 "[ . 1 . 2 .]"
1 30 C 0.223 0.012 22 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 1 G O6 1 30 C H41 1.900 . 2.200 2.119 1.839 2.210 0.010 4 0 "[ . 1 . 2 .]" 5
2 1 1 G O6 1 30 C N4 3.000 2.720 3.080 2.878 2.716 3.083 0.004 4 0 "[ . 1 . 2 .]" 5
3 1 1 G H1 1 30 C N3 1.900 . 2.020 2.022 1.965 2.032 0.012 22 0 "[ . 1 . 2 .]" 5
4 1 1 G N1 1 30 C N3 3.000 2.750 3.150 2.841 2.792 2.986 . 0 0 "[ . 1 . 2 .]" 5
5 1 1 G H21 1 30 C O2 1.900 . 2.200 1.982 1.760 2.203 0.003 17 0 "[ . 1 . 2 .]" 5
6 1 1 G N2 1 30 C O2 3.000 2.720 3.080 2.786 2.713 2.925 0.007 14 0 "[ . 1 . 2 .]" 5
7 1 2 C H41 1 29 G O6 1.900 . 2.200 1.896 1.731 2.201 0.001 19 0 "[ . 1 . 2 .]" 5
8 1 2 C N4 1 29 G O6 3.000 2.720 3.080 2.802 2.714 2.912 0.006 16 0 "[ . 1 . 2 .]" 5
9 1 2 C N3 1 29 G H1 1.900 . 2.020 2.026 1.998 2.036 0.016 16 0 "[ . 1 . 2 .]" 5
10 1 2 C N3 1 29 G N1 3.000 2.750 3.150 2.837 2.743 2.971 0.007 14 0 "[ . 1 . 2 .]" 5
11 1 2 C O2 1 29 G H21 1.900 . 2.200 2.003 1.864 2.157 . 0 0 "[ . 1 . 2 .]" 5
12 1 2 C O2 1 29 G N2 3.000 2.720 3.080 2.871 2.724 3.087 0.007 19 0 "[ . 1 . 2 .]" 5
13 1 3 G O6 1 28 C H41 1.900 . 2.200 2.105 1.923 2.205 0.005 24 0 "[ . 1 . 2 .]" 5
14 1 3 G O6 1 28 C N4 3.000 2.720 3.080 2.889 2.785 2.990 . 0 0 "[ . 1 . 2 .]" 5
15 1 3 G H1 1 28 C N3 1.900 . 2.020 1.997 1.859 2.027 0.007 21 0 "[ . 1 . 2 .]" 5
16 1 3 G N1 1 28 C N3 3.000 2.750 3.150 2.835 2.754 2.929 . 0 0 "[ . 1 . 2 .]" 5
17 1 3 G H21 1 28 C O2 1.900 . 2.200 2.111 1.814 2.207 0.007 11 0 "[ . 1 . 2 .]" 5
18 1 3 G N2 1 28 C O2 3.000 2.720 3.080 2.799 2.718 2.905 0.002 21 0 "[ . 1 . 2 .]" 5
19 1 4 A H61 1 27 U O4 1.900 . 2.200 2.105 2.015 2.191 . 0 0 "[ . 1 . 2 .]" 5
20 1 4 A N6 1 27 U O4 3.000 2.720 3.080 3.075 2.982 3.088 0.008 4 0 "[ . 1 . 2 .]" 5
21 1 4 A N1 1 27 U H3 1.900 . 2.020 1.867 1.780 2.010 . 0 0 "[ . 1 . 2 .]" 5
22 1 4 A N1 1 27 U N3 3.000 2.750 3.150 2.812 2.744 2.948 0.006 19 0 "[ . 1 . 2 .]" 5
23 1 5 C H41 1 26 G O6 1.900 . 2.200 1.935 1.767 2.203 0.003 10 0 "[ . 1 . 2 .]" 5
24 1 5 C N4 1 26 G O6 3.000 2.720 3.080 2.810 2.718 2.969 0.002 25 0 "[ . 1 . 2 .]" 5
25 1 5 C N3 1 26 G H1 1.900 . 2.020 1.855 1.738 2.035 0.015 21 0 "[ . 1 . 2 .]" 5
26 1 5 C N3 1 26 G N1 3.000 2.750 3.150 2.802 2.742 2.995 0.008 7 0 "[ . 1 . 2 .]" 5
27 1 5 C O2 1 26 G H21 1.900 . 2.200 1.973 1.855 2.200 . 0 0 "[ . 1 . 2 .]" 5
28 1 5 C O2 1 26 G N2 3.000 2.720 3.080 2.924 2.794 3.084 0.004 4 0 "[ . 1 . 2 .]" 5
29 1 10 C H41 1 23 G O6 1.900 . 2.200 1.980 1.769 2.192 . 0 0 "[ . 1 . 2 .]" 5
30 1 10 C N4 1 23 G O6 3.000 2.720 3.080 2.926 2.778 3.082 0.002 22 0 "[ . 1 . 2 .]" 5
31 1 10 C N3 1 23 G H1 1.900 . 2.020 1.972 1.872 2.027 0.007 18 0 "[ . 1 . 2 .]" 5
32 1 10 C N3 1 23 G N1 3.000 2.750 3.150 2.920 2.821 3.027 . 0 0 "[ . 1 . 2 .]" 5
33 1 10 C O2 1 23 G H21 1.900 . 2.200 2.009 1.781 2.201 0.001 17 0 "[ . 1 . 2 .]" 5
34 1 10 C O2 1 23 G N2 3.000 2.720 3.080 2.953 2.756 3.083 0.003 19 0 "[ . 1 . 2 .]" 5
35 1 11 C H41 1 22 G O6 1.900 . 2.200 1.988 1.793 2.198 . 0 0 "[ . 1 . 2 .]" 5
36 1 11 C N4 1 22 G O6 3.000 2.720 3.080 2.913 2.792 3.083 0.003 12 0 "[ . 1 . 2 .]" 5
37 1 11 C N3 1 22 G H1 1.900 . 2.020 1.947 1.828 2.027 0.007 19 0 "[ . 1 . 2 .]" 5
38 1 11 C N3 1 22 G N1 3.000 2.750 3.150 2.886 2.825 2.959 . 0 0 "[ . 1 . 2 .]" 5
39 1 11 C O2 1 22 G H21 1.900 . 2.200 1.911 1.724 2.194 . 0 0 "[ . 1 . 2 .]" 5
40 1 11 C O2 1 22 G N2 3.000 2.720 3.080 2.808 2.714 3.028 0.006 13 0 "[ . 1 . 2 .]" 5
41 1 12 A H61 1 21 U O4 1.900 . 2.200 2.009 1.801 2.143 . 0 0 "[ . 1 . 2 .]" 5
42 1 12 A N6 1 21 U O4 3.000 2.720 3.080 2.989 2.786 3.090 0.010 10 0 "[ . 1 . 2 .]" 5
43 1 12 A N1 1 21 U H3 1.900 . 2.020 1.855 1.750 1.937 . 0 0 "[ . 1 . 2 .]" 5
44 1 12 A N1 1 21 U N3 3.000 2.750 3.150 2.799 2.736 2.914 0.014 16 0 "[ . 1 . 2 .]" 5
45 1 13 G O6 1 20 U H3 1.900 . 2.200 2.118 1.913 2.207 0.007 3 0 "[ . 1 . 2 .]" 5
46 1 13 G O6 1 20 U N3 3.000 2.720 3.080 3.010 2.828 3.089 0.009 24 0 "[ . 1 . 2 .]" 5
47 1 13 G H1 1 20 U O2 1.900 . 2.200 1.832 1.722 1.930 . 0 0 "[ . 1 . 2 .]" 5
48 1 13 G N1 1 20 U O2 3.000 2.720 3.080 2.743 2.710 2.804 0.010 19 0 "[ . 1 . 2 .]" 5
49 1 14 C H41 1 19 G O6 1.900 . 2.200 2.057 1.966 2.182 . 0 0 "[ . 1 . 2 .]" 5
50 1 14 C N4 1 19 G O6 3.000 2.720 3.080 2.914 2.726 3.071 . 0 0 "[ . 1 . 2 .]" 5
51 1 14 C N3 1 19 G H1 1.900 . 2.020 2.024 1.977 2.031 0.011 3 0 "[ . 1 . 2 .]" 5
52 1 14 C N3 1 19 G N1 3.000 2.750 3.150 2.927 2.808 3.001 . 0 0 "[ . 1 . 2 .]" 5
53 1 14 C O2 1 19 G H21 1.900 . 2.200 2.018 1.815 2.197 . 0 0 "[ . 1 . 2 .]" 5
54 1 14 C O2 1 19 G N2 3.000 2.720 3.080 2.899 2.741 3.084 0.004 12 0 "[ . 1 . 2 .]" 5
55 1 6 C N3 1 25 A N6 2.900 2.600 3.200 3.084 2.988 3.162 . 0 0 "[ . 1 . 2 .]" 5
56 1 6 C N3 1 25 A H61 1.900 . 2.200 2.172 2.027 2.209 0.009 25 0 "[ . 1 . 2 .]" 5
57 1 6 C O2 1 25 A N1 3.000 2.700 3.300 2.976 2.686 3.232 0.014 17 0 "[ . 1 . 2 .]" 5
58 1 6 C O2 1 25 A H1 2.000 . 2.300 2.062 1.731 2.309 0.009 17 0 "[ . 1 . 2 .]" 5
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