NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638408 |
6aas   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6aas
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 32
_Distance_constraint_stats_list.Viol_count 405
_Distance_constraint_stats_list.Viol_total 6302.843
_Distance_constraint_stats_list.Viol_max 3.099
_Distance_constraint_stats_list.Viol_rms 0.8513
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4924
_Distance_constraint_stats_list.Viol_average_violations_only 0.7781
_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 0.743 0.026 19 0 "[ . 1 . 2]"
1 2 G 35.408 2.029 19 20 [***************-**+*]
1 3 U 46.926 2.399 19 20 [*****************-+*]
1 4 A 94.215 3.099 19 20 [**-***************+*]
1 5 A 61.164 2.342 10 20 [******-**+**********]
1 6 G 71.804 2.278 10 20 [***-*****+**********]
1 7 U 0.003 0.002 8 0 "[ . 1 . 2]"
1 8 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 U 3.787 0.108 15 0 "[ . 1 . 2]"
1 10 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 C 0.832 0.035 3 0 "[ . 1 . 2]"
1 12 U 0.261 0.033 19 0 "[ . 1 . 2]"
1 17 A 33.701 2.108 18 20 [***-*************+**]
1 18 G 61.061 2.278 10 20 [******-**+**********]
1 19 U 76.791 2.342 10 20 [******-**+**********]
1 20 G 102.639 3.099 19 20 [*****************-+*]
1 21 C 35.376 2.029 19 20 [***************-**+*]
1 22 A 0.003 0.002 8 0 "[ . 1 . 2]"
1 23 C 0.041 0.008 17 0 "[ . 1 . 2]"
1 24 U 0.318 0.013 7 0 "[ . 1 . 2]"
1 25 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 G 4.438 0.119 12 0 "[ . 1 . 2]"
1 27 C 0.032 0.005 1 0 "[ . 1 . 2]"
1 28 C 0.743 0.026 19 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 C4 1 28 C C6 . . 8.300 8.325 8.323 8.326 0.026 19 0 "[ . 1 . 2]" 1
2 1 1 G N9 1 28 C H6 . . 10.750 10.762 10.760 10.764 0.014 11 0 "[ . 1 . 2]" 1
3 1 2 G C4 1 27 C C6 . . 8.300 8.301 8.298 8.305 0.005 1 0 "[ . 1 . 2]" 1
4 1 2 G N9 1 27 C H6 . . 10.750 10.738 10.735 10.742 . 0 0 "[ . 1 . 2]" 1
5 1 3 U C6 1 26 G C8 . . 9.800 9.906 9.904 9.911 0.111 13 0 "[ . 1 . 2]" 1
6 1 3 U C5 1 26 G N9 . . 9.500 9.615 9.608 9.619 0.119 12 0 "[ . 1 . 2]" 1
7 1 4 A C4 1 25 U C6 . . 8.300 8.268 8.264 8.271 . 0 0 "[ . 1 . 2]" 1
8 1 4 A N9 1 25 U H6 . . 10.750 10.717 10.714 10.719 . 0 0 "[ . 1 . 2]" 1
9 1 5 A C4 1 24 U C6 . . 8.300 8.309 8.306 8.313 0.013 7 0 "[ . 1 . 2]" 1
10 1 5 A N9 1 24 U H6 . . 10.750 10.757 10.753 10.760 0.010 14 0 "[ . 1 . 2]" 1
11 1 6 G C4 1 23 C C6 . . 8.300 8.302 8.298 8.308 0.008 17 0 "[ . 1 . 2]" 1
12 1 6 G N9 1 23 C H6 . . 10.750 10.738 10.734 10.743 . 0 0 "[ . 1 . 2]" 1
13 1 7 U C6 1 22 A C4 . . 8.300 8.295 8.288 8.302 0.002 8 0 "[ . 1 . 2]" 1
14 1 7 U H6 1 22 A N9 . . 10.750 10.743 10.737 10.748 . 0 0 "[ . 1 . 2]" 1
15 1 8 G C4 1 21 C C6 . . 8.300 8.289 8.287 8.291 . 0 0 "[ . 1 . 2]" 1
16 1 8 G N9 1 21 C H6 . . 10.750 10.723 10.720 10.725 . 0 0 "[ . 1 . 2]" 1
17 1 9 U C6 1 20 G C8 . . 9.800 9.892 9.881 9.897 0.097 12 0 "[ . 1 . 2]" 1
18 1 9 U C5 1 20 G N9 . . 9.500 9.597 9.587 9.608 0.108 15 0 "[ . 1 . 2]" 1
19 1 10 A C4 1 19 U C6 . . 8.300 8.248 8.233 8.259 . 0 0 "[ . 1 . 2]" 1
20 1 10 A N9 1 19 U H6 . . 10.750 10.692 10.677 10.702 . 0 0 "[ . 1 . 2]" 1
21 1 11 C C6 1 18 G C4 . . 8.300 8.325 8.307 8.335 0.035 3 0 "[ . 1 . 2]" 1
22 1 11 C H6 1 18 G N9 . . 10.750 10.766 10.742 10.779 0.029 3 0 "[ . 1 . 2]" 1
23 1 12 U C6 1 17 A C4 . . 8.300 8.308 8.280 8.333 0.033 19 0 "[ . 1 . 2]" 1
24 1 12 U H6 1 17 A N9 . . 10.750 10.721 10.681 10.758 0.008 19 0 "[ . 1 . 2]" 1
25 1 2 G P 1 21 C P . . 9.000 10.769 10.538 11.029 2.029 19 20 [***************-**+*] 1
26 1 3 U P 1 20 G P . . 9.000 11.124 10.819 11.399 2.399 19 20 [*****************-+*] 1
27 1 4 A P 1 20 G P . . 9.400 12.218 11.955 12.499 3.099 19 20 [*****************-+*] 1
28 1 4 A P 1 19 U P . . 9.000 10.893 10.712 11.207 2.207 10 20 [**-******+**********] 1
29 1 5 A P 1 19 U P . . 9.400 11.347 11.021 11.742 2.342 10 20 [******-**+**********] 1
30 1 5 A P 1 18 G P . . 9.000 10.095 9.811 10.494 1.494 10 20 [******-**+**********] 1
31 1 6 G P 1 18 G P . . 9.400 11.316 10.961 11.678 2.278 10 20 [****-****+**********] 1
32 1 6 G P 1 17 A P . . 9.000 10.672 10.341 11.108 2.108 18 20 [***-*************+**] 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 60
_Distance_constraint_stats_list.Viol_count 892
_Distance_constraint_stats_list.Viol_total 1085.385
_Distance_constraint_stats_list.Viol_max 0.372
_Distance_constraint_stats_list.Viol_rms 0.0501
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0452
_Distance_constraint_stats_list.Viol_average_violations_only 0.0608
_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 5.002 0.127 15 0 "[ . 1 . 2]"
1 2 G 5.207 0.112 10 0 "[ . 1 . 2]"
1 3 U 2.760 0.117 13 0 "[ . 1 . 2]"
1 4 A 3.807 0.112 15 0 "[ . 1 . 2]"
1 5 A 3.884 0.118 14 0 "[ . 1 . 2]"
1 6 G 4.889 0.115 14 0 "[ . 1 . 2]"
1 7 U 4.088 0.103 8 0 "[ . 1 . 2]"
1 8 G 5.097 0.113 2 0 "[ . 1 . 2]"
1 9 U 2.556 0.118 17 0 "[ . 1 . 2]"
1 10 A 3.502 0.114 15 0 "[ . 1 . 2]"
1 11 C 5.827 0.134 13 0 "[ . 1 . 2]"
1 12 U 4.193 0.174 16 0 "[ . 1 . 2]"
1 13 G 3.458 0.372 16 0 "[ . 1 . 2]"
1 16 A 3.458 0.372 16 0 "[ . 1 . 2]"
1 17 A 4.193 0.174 16 0 "[ . 1 . 2]"
1 18 G 5.827 0.134 13 0 "[ . 1 . 2]"
1 19 U 3.502 0.114 15 0 "[ . 1 . 2]"
1 20 G 2.556 0.118 17 0 "[ . 1 . 2]"
1 21 C 5.097 0.113 2 0 "[ . 1 . 2]"
1 22 A 4.088 0.103 8 0 "[ . 1 . 2]"
1 23 C 4.889 0.115 14 0 "[ . 1 . 2]"
1 24 U 3.884 0.118 14 0 "[ . 1 . 2]"
1 25 U 3.807 0.112 15 0 "[ . 1 . 2]"
1 26 G 2.760 0.117 13 0 "[ . 1 . 2]"
1 27 C 5.207 0.112 10 0 "[ . 1 . 2]"
1 28 C 5.002 0.127 15 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 H1 1 28 C N3 . . 1.800 1.926 1.926 1.927 0.127 15 0 "[ . 1 . 2]" 2
2 1 1 G N1 1 28 C N3 . . 2.900 2.925 2.925 2.927 0.027 20 0 "[ . 1 . 2]" 2
3 1 1 G H21 1 28 C O2 . . 1.800 1.826 1.820 1.829 0.029 11 0 "[ . 1 . 2]" 2
4 1 1 G N2 1 28 C O2 . . 2.900 2.835 2.830 2.839 . 0 0 "[ . 1 . 2]" 2
5 1 1 G O6 1 28 C H41 . . 1.800 1.872 1.870 1.875 0.075 2 0 "[ . 1 . 2]" 2
6 1 1 G O6 1 28 C N4 . . 2.900 2.885 2.882 2.888 . 0 0 "[ . 1 . 2]" 2
7 1 2 G H1 1 27 C N3 . . 1.800 1.910 1.909 1.912 0.112 10 0 "[ . 1 . 2]" 2
8 1 2 G N1 1 27 C N3 . . 2.900 2.912 2.910 2.913 0.013 10 0 "[ . 1 . 2]" 2
9 1 2 G H21 1 27 C O2 . . 1.800 1.834 1.826 1.838 0.038 13 0 "[ . 1 . 2]" 2
10 1 2 G N2 1 27 C O2 . . 2.900 2.843 2.837 2.849 . 0 0 "[ . 1 . 2]" 2
11 1 2 G O6 1 27 C H41 . . 1.800 1.898 1.895 1.900 0.100 17 0 "[ . 1 . 2]" 2
12 1 2 G O6 1 27 C N4 . . 2.900 2.906 2.903 2.909 0.009 17 0 "[ . 1 . 2]" 2
13 1 3 U H3 1 26 G O6 . . 1.800 1.912 1.909 1.917 0.117 13 0 "[ . 1 . 2]" 2
14 1 3 U N3 1 26 G O6 . . 2.900 2.905 2.902 2.911 0.011 13 0 "[ . 1 . 2]" 2
15 1 3 U O2 1 26 G H1 . . 1.800 1.820 1.816 1.826 0.026 17 0 "[ . 1 . 2]" 2
16 1 3 U O2 1 26 G N1 . . 2.900 2.808 2.804 2.816 . 0 0 "[ . 1 . 2]" 2
17 1 4 A N1 1 25 U H3 . . 1.800 1.879 1.876 1.882 0.082 7 0 "[ . 1 . 2]" 2
18 1 4 A N1 1 25 U N3 . . 2.900 2.888 2.885 2.892 . 0 0 "[ . 1 . 2]" 2
19 1 4 A H61 1 25 U O4 . . 1.800 1.910 1.908 1.912 0.112 15 0 "[ . 1 . 2]" 2
20 1 4 A N6 1 25 U O4 . . 2.900 2.901 2.898 2.904 0.004 19 0 "[ . 1 . 2]" 2
21 1 5 A N1 1 24 U H3 . . 1.800 1.915 1.913 1.918 0.118 14 0 "[ . 1 . 2]" 2
22 1 5 A N1 1 24 U N3 . . 2.900 2.920 2.917 2.923 0.023 14 0 "[ . 1 . 2]" 2
23 1 5 A H61 1 24 U O4 . . 1.800 1.860 1.858 1.864 0.064 7 0 "[ . 1 . 2]" 2
24 1 5 A N6 1 24 U O4 . . 2.900 2.863 2.859 2.867 . 0 0 "[ . 1 . 2]" 2
25 1 6 G H1 1 23 C N3 . . 1.800 1.912 1.910 1.915 0.115 14 0 "[ . 1 . 2]" 2
26 1 6 G N1 1 23 C N3 . . 2.900 2.909 2.907 2.912 0.012 17 0 "[ . 1 . 2]" 2
27 1 6 G H21 1 23 C O2 . . 1.800 1.829 1.824 1.833 0.033 10 0 "[ . 1 . 2]" 2
28 1 6 G N2 1 23 C O2 . . 2.900 2.835 2.832 2.840 . 0 0 "[ . 1 . 2]" 2
29 1 6 G O6 1 23 C H41 . . 1.800 1.894 1.890 1.896 0.096 7 0 "[ . 1 . 2]" 2
30 1 6 G O6 1 23 C N4 . . 2.900 2.894 2.893 2.896 . 0 0 "[ . 1 . 2]" 2
31 1 7 U H3 1 22 A N1 . . 1.800 1.898 1.894 1.903 0.103 8 0 "[ . 1 . 2]" 2
32 1 7 U N3 1 22 A N1 . . 2.900 2.908 2.904 2.912 0.012 8 0 "[ . 1 . 2]" 2
33 1 7 U O4 1 22 A H61 . . 1.800 1.897 1.893 1.903 0.103 10 0 "[ . 1 . 2]" 2
34 1 7 U O4 1 22 A N6 . . 2.900 2.900 2.893 2.909 0.009 10 0 "[ . 1 . 2]" 2
35 1 8 G H1 1 21 C N3 . . 1.800 1.912 1.910 1.913 0.113 2 0 "[ . 1 . 2]" 2
36 1 8 G N1 1 21 C N3 . . 2.900 2.905 2.903 2.907 0.007 13 0 "[ . 1 . 2]" 2
37 1 8 G H21 1 21 C O2 . . 1.800 1.832 1.826 1.842 0.042 1 0 "[ . 1 . 2]" 2
38 1 8 G N2 1 21 C O2 . . 2.900 2.848 2.842 2.857 . 0 0 "[ . 1 . 2]" 2
39 1 8 G O6 1 21 C H41 . . 1.800 1.903 1.899 1.906 0.106 19 0 "[ . 1 . 2]" 2
40 1 8 G O6 1 21 C N4 . . 2.900 2.903 2.899 2.906 0.006 18 0 "[ . 1 . 2]" 2
41 1 9 U H3 1 20 G O6 . . 1.800 1.914 1.906 1.918 0.118 17 0 "[ . 1 . 2]" 2
42 1 9 U N3 1 20 G O6 . . 2.900 2.900 2.891 2.905 0.005 17 0 "[ . 1 . 2]" 2
43 1 9 U O2 1 20 G H1 . . 1.800 1.813 1.806 1.821 0.021 18 0 "[ . 1 . 2]" 2
44 1 9 U O2 1 20 G N1 . . 2.900 2.812 2.805 2.819 . 0 0 "[ . 1 . 2]" 2
45 1 10 A N1 1 19 U H3 . . 1.800 1.867 1.861 1.872 0.072 14 0 "[ . 1 . 2]" 2
46 1 10 A N1 1 19 U N3 . . 2.900 2.873 2.863 2.878 . 0 0 "[ . 1 . 2]" 2
47 1 10 A H61 1 19 U O4 . . 1.800 1.906 1.901 1.914 0.114 15 0 "[ . 1 . 2]" 2
48 1 10 A N6 1 19 U O4 . . 2.900 2.901 2.893 2.911 0.011 15 0 "[ . 1 . 2]" 2
49 1 11 C N3 1 18 G H1 . . 1.800 1.926 1.921 1.934 0.134 13 0 "[ . 1 . 2]" 2
50 1 11 C N3 1 18 G N1 . . 2.900 2.927 2.923 2.933 0.033 13 0 "[ . 1 . 2]" 2
51 1 11 C O2 1 18 G H21 . . 1.800 1.809 1.802 1.824 0.024 19 0 "[ . 1 . 2]" 2
52 1 11 C O2 1 18 G N2 . . 2.900 2.824 2.818 2.836 . 0 0 "[ . 1 . 2]" 2
53 1 11 C H41 1 18 G O6 . . 1.800 1.909 1.904 1.914 0.114 5 0 "[ . 1 . 2]" 2
54 1 11 C N4 1 18 G O6 . . 2.900 2.921 2.914 2.925 0.025 5 0 "[ . 1 . 2]" 2
55 1 12 U H3 1 17 A N1 . . 1.800 1.946 1.916 1.974 0.174 16 0 "[ . 1 . 2]" 2
56 1 12 U N3 1 17 A N1 . . 2.900 2.951 2.923 2.972 0.072 16 0 "[ . 1 . 2]" 2
57 1 12 U O4 1 17 A H61 . . 1.800 1.809 1.788 1.856 0.056 12 0 "[ . 1 . 2]" 2
58 1 12 U O4 1 17 A N6 . . 2.900 2.816 2.788 2.867 . 0 0 "[ . 1 . 2]" 2
59 1 13 G H22 1 16 A N7 . . 1.800 1.962 1.908 2.172 0.372 16 0 "[ . 1 . 2]" 2
60 1 13 G N2 1 16 A N7 . . 2.900 2.906 2.833 2.930 0.030 5 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 84
_Distance_constraint_stats_list.Viol_count 1120
_Distance_constraint_stats_list.Viol_total 2682.790
_Distance_constraint_stats_list.Viol_max 0.162
_Distance_constraint_stats_list.Viol_rms 0.0609
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0798
_Distance_constraint_stats_list.Viol_average_violations_only 0.1198
_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 4.795 0.146 9 0 "[ . 1 . 2]"
1 2 G 4.695 0.147 3 0 "[ . 1 . 2]"
1 3 U 4.887 0.156 11 0 "[ . 1 . 2]"
1 4 A 4.759 0.142 5 0 "[ . 1 . 2]"
1 5 A 4.833 0.145 18 0 "[ . 1 . 2]"
1 6 G 4.764 0.149 10 0 "[ . 1 . 2]"
1 7 U 4.826 0.154 11 0 "[ . 1 . 2]"
1 8 G 4.644 0.142 11 0 "[ . 1 . 2]"
1 9 U 4.916 0.157 13 0 "[ . 1 . 2]"
1 10 A 4.737 0.141 17 0 "[ . 1 . 2]"
1 11 C 4.590 0.152 19 0 "[ . 1 . 2]"
1 12 U 4.684 0.150 19 0 "[ . 1 . 2]"
1 13 G 4.818 0.156 12 0 "[ . 1 . 2]"
1 14 G 5.020 0.153 16 0 "[ . 1 . 2]"
1 15 A 4.936 0.147 14 0 "[ . 1 . 2]"
1 16 A 4.736 0.158 13 0 "[ . 1 . 2]"
1 17 A 5.080 0.162 12 0 "[ . 1 . 2]"
1 18 G 4.593 0.149 18 0 "[ . 1 . 2]"
1 19 U 4.754 0.151 4 0 "[ . 1 . 2]"
1 20 G 4.726 0.142 16 0 "[ . 1 . 2]"
1 21 C 4.829 0.152 1 0 "[ . 1 . 2]"
1 22 A 4.703 0.142 8 0 "[ . 1 . 2]"
1 23 C 4.777 0.151 5 0 "[ . 1 . 2]"
1 24 U 4.931 0.154 1 0 "[ . 1 . 2]"
1 25 U 4.958 0.152 5 0 "[ . 1 . 2]"
1 26 G 4.638 0.141 13 0 "[ . 1 . 2]"
1 27 C 4.909 0.152 18 0 "[ . 1 . 2]"
1 28 C 4.602 0.144 15 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 C4' 1 1 G O4' . . 1.440 1.431 1.429 1.433 . 0 0 "[ . 1 . 2]" 3
2 1 1 G C5' 1 1 G O4' . . 2.320 2.464 2.462 2.466 0.146 9 0 "[ . 1 . 2]" 3
3 1 1 G C3' 1 1 G C5' . . 2.480 2.575 2.574 2.576 0.096 11 0 "[ . 1 . 2]" 3
4 1 2 G C4' 1 2 G O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
5 1 2 G C5' 1 2 G O4' . . 2.320 2.466 2.464 2.467 0.147 3 0 "[ . 1 . 2]" 3
6 1 2 G C3' 1 2 G C5' . . 2.480 2.569 2.566 2.571 0.091 17 0 "[ . 1 . 2]" 3
7 1 3 U C4' 1 3 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
8 1 3 U C5' 1 3 U O4' . . 2.320 2.475 2.474 2.476 0.156 11 0 "[ . 1 . 2]" 3
9 1 3 U C3' 1 3 U C5' . . 2.480 2.569 2.568 2.570 0.090 6 0 "[ . 1 . 2]" 3
10 1 4 A C4' 1 4 A O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
11 1 4 A C5' 1 4 A O4' . . 2.320 2.460 2.459 2.462 0.142 5 0 "[ . 1 . 2]" 3
12 1 4 A C3' 1 4 A C5' . . 2.480 2.578 2.575 2.580 0.100 18 0 "[ . 1 . 2]" 3
13 1 5 A C4' 1 5 A O4' . . 1.440 1.431 1.430 1.432 . 0 0 "[ . 1 . 2]" 3
14 1 5 A C5' 1 5 A O4' . . 2.320 2.464 2.463 2.465 0.145 18 0 "[ . 1 . 2]" 3
15 1 5 A C3' 1 5 A C5' . . 2.480 2.578 2.577 2.579 0.099 17 0 "[ . 1 . 2]" 3
16 1 6 G C4' 1 6 G O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
17 1 6 G C5' 1 6 G O4' . . 2.320 2.467 2.463 2.469 0.149 10 0 "[ . 1 . 2]" 3
18 1 6 G C3' 1 6 G C5' . . 2.480 2.571 2.568 2.572 0.092 11 0 "[ . 1 . 2]" 3
19 1 7 U C4' 1 7 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
20 1 7 U C5' 1 7 U O4' . . 2.320 2.473 2.471 2.474 0.154 11 0 "[ . 1 . 2]" 3
21 1 7 U C3' 1 7 U C5' . . 2.480 2.569 2.566 2.571 0.091 15 0 "[ . 1 . 2]" 3
22 1 8 G C4' 1 8 G O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
23 1 8 G C5' 1 8 G O4' . . 2.320 2.461 2.459 2.462 0.142 11 0 "[ . 1 . 2]" 3
24 1 8 G C3' 1 8 G C5' . . 2.480 2.571 2.570 2.573 0.093 4 0 "[ . 1 . 2]" 3
25 1 9 U C4' 1 9 U O4' . . 1.440 1.430 1.429 1.432 . 0 0 "[ . 1 . 2]" 3
26 1 9 U C5' 1 9 U O4' . . 2.320 2.475 2.473 2.477 0.157 13 0 "[ . 1 . 2]" 3
27 1 9 U C3' 1 9 U C5' . . 2.480 2.571 2.567 2.573 0.093 10 0 "[ . 1 . 2]" 3
28 1 10 A C4' 1 10 A O4' . . 1.440 1.430 1.428 1.431 . 0 0 "[ . 1 . 2]" 3
29 1 10 A C5' 1 10 A O4' . . 2.320 2.460 2.459 2.461 0.141 17 0 "[ . 1 . 2]" 3
30 1 10 A C3' 1 10 A C5' . . 2.480 2.576 2.572 2.580 0.100 11 0 "[ . 1 . 2]" 3
31 1 11 C C4' 1 11 C O4' . . 1.440 1.429 1.428 1.430 . 0 0 "[ . 1 . 2]" 3
32 1 11 C C5' 1 11 C O4' . . 2.320 2.469 2.466 2.472 0.152 19 0 "[ . 1 . 2]" 3
33 1 11 C C3' 1 11 C C5' . . 2.480 2.561 2.558 2.567 0.087 14 0 "[ . 1 . 2]" 3
34 1 12 U C4' 1 12 U O4' . . 1.440 1.429 1.427 1.431 . 0 0 "[ . 1 . 2]" 3
35 1 12 U C5' 1 12 U O4' . . 2.320 2.465 2.459 2.470 0.150 19 0 "[ . 1 . 2]" 3
36 1 12 U C3' 1 12 U C5' . . 2.480 2.570 2.562 2.579 0.099 14 0 "[ . 1 . 2]" 3
37 1 13 G C4' 1 13 G O4' . . 1.440 1.430 1.428 1.432 . 0 0 "[ . 1 . 2]" 3
38 1 13 G C5' 1 13 G O4' . . 2.320 2.467 2.462 2.476 0.156 12 0 "[ . 1 . 2]" 3
39 1 13 G C3' 1 13 G C5' . . 2.480 2.574 2.559 2.592 0.112 19 0 "[ . 1 . 2]" 3
40 1 14 G C4' 1 14 G O4' . . 1.440 1.427 1.418 1.431 . 0 0 "[ . 1 . 2]" 3
41 1 14 G C5' 1 14 G O4' . . 2.320 2.460 2.453 2.473 0.153 16 0 "[ . 1 . 2]" 3
42 1 14 G C3' 1 14 G C5' . . 2.480 2.591 2.575 2.620 0.140 11 0 "[ . 1 . 2]" 3
43 1 15 A C4' 1 15 A O4' . . 1.440 1.431 1.428 1.432 . 0 0 "[ . 1 . 2]" 3
44 1 15 A C5' 1 15 A O4' . . 2.320 2.461 2.458 2.467 0.147 14 0 "[ . 1 . 2]" 3
45 1 15 A C3' 1 15 A C5' . . 2.480 2.586 2.558 2.611 0.131 16 0 "[ . 1 . 2]" 3
46 1 16 A C4' 1 16 A O4' . . 1.440 1.431 1.427 1.435 . 0 0 "[ . 1 . 2]" 3
47 1 16 A C5' 1 16 A O4' . . 2.320 2.465 2.460 2.478 0.158 13 0 "[ . 1 . 2]" 3
48 1 16 A C3' 1 16 A C5' . . 2.480 2.571 2.557 2.593 0.113 14 0 "[ . 1 . 2]" 3
49 1 17 A C4' 1 17 A O4' . . 1.440 1.432 1.431 1.435 . 0 0 "[ . 1 . 2]" 3
50 1 17 A C5' 1 17 A O4' . . 2.320 2.474 2.461 2.482 0.162 12 0 "[ . 1 . 2]" 3
51 1 17 A C3' 1 17 A C5' . . 2.480 2.580 2.564 2.617 0.137 13 0 "[ . 1 . 2]" 3
52 1 18 G C4' 1 18 G O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
53 1 18 G C5' 1 18 G O4' . . 2.320 2.467 2.463 2.469 0.149 18 0 "[ . 1 . 2]" 3
54 1 18 G C3' 1 18 G C5' . . 2.480 2.563 2.559 2.567 0.087 18 0 "[ . 1 . 2]" 3
55 1 19 U C4' 1 19 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
56 1 19 U C5' 1 19 U O4' . . 2.320 2.470 2.469 2.471 0.151 4 0 "[ . 1 . 2]" 3
57 1 19 U C3' 1 19 U C5' . . 2.480 2.567 2.564 2.570 0.090 4 0 "[ . 1 . 2]" 3
58 1 20 G C4' 1 20 G O4' . . 1.440 1.429 1.429 1.430 . 0 0 "[ . 1 . 2]" 3
59 1 20 G C5' 1 20 G O4' . . 2.320 2.461 2.459 2.462 0.142 16 0 "[ . 1 . 2]" 3
60 1 20 G C3' 1 20 G C5' . . 2.480 2.575 2.574 2.577 0.097 4 0 "[ . 1 . 2]" 3
61 1 21 C C4' 1 21 C O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
62 1 21 C C5' 1 21 C O4' . . 2.320 2.471 2.469 2.472 0.152 1 0 "[ . 1 . 2]" 3
63 1 21 C C3' 1 21 C C5' . . 2.480 2.570 2.567 2.572 0.092 20 0 "[ . 1 . 2]" 3
64 1 22 A C4' 1 22 A O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
65 1 22 A C5' 1 22 A O4' . . 2.320 2.461 2.460 2.462 0.142 8 0 "[ . 1 . 2]" 3
66 1 22 A C3' 1 22 A C5' . . 2.480 2.574 2.570 2.575 0.095 20 0 "[ . 1 . 2]" 3
67 1 23 C C4' 1 23 C O4' . . 1.440 1.430 1.428 1.431 . 0 0 "[ . 1 . 2]" 3
68 1 23 C C5' 1 23 C O4' . . 2.320 2.469 2.468 2.471 0.151 5 0 "[ . 1 . 2]" 3
69 1 23 C C3' 1 23 C C5' . . 2.480 2.570 2.568 2.571 0.091 13 0 "[ . 1 . 2]" 3
70 1 24 U C4' 1 24 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
71 1 24 U C5' 1 24 U O4' . . 2.320 2.473 2.472 2.474 0.154 1 0 "[ . 1 . 2]" 3
72 1 24 U C3' 1 24 U C5' . . 2.480 2.573 2.571 2.574 0.094 15 0 "[ . 1 . 2]" 3
73 1 25 U C4' 1 25 U O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
74 1 25 U C5' 1 25 U O4' . . 2.320 2.471 2.470 2.472 0.152 5 0 "[ . 1 . 2]" 3
75 1 25 U C3' 1 25 U C5' . . 2.480 2.577 2.575 2.578 0.098 2 0 "[ . 1 . 2]" 3
76 1 26 G C4' 1 26 G O4' . . 1.440 1.429 1.429 1.430 . 0 0 "[ . 1 . 2]" 3
77 1 26 G C5' 1 26 G O4' . . 2.320 2.461 2.460 2.461 0.141 13 0 "[ . 1 . 2]" 3
78 1 26 G C3' 1 26 G C5' . . 2.480 2.571 2.570 2.573 0.093 1 0 "[ . 1 . 2]" 3
79 1 27 C C4' 1 27 C O4' . . 1.440 1.430 1.429 1.431 . 0 0 "[ . 1 . 2]" 3
80 1 27 C C5' 1 27 C O4' . . 2.320 2.471 2.471 2.472 0.152 18 0 "[ . 1 . 2]" 3
81 1 27 C C3' 1 27 C C5' . . 2.480 2.574 2.571 2.575 0.095 9 0 "[ . 1 . 2]" 3
82 1 28 C C4' 1 28 C O4' . . 1.440 1.429 1.428 1.430 . 0 0 "[ . 1 . 2]" 3
83 1 28 C C5' 1 28 C O4' . . 2.320 2.462 2.460 2.464 0.144 15 0 "[ . 1 . 2]" 3
84 1 28 C C3' 1 28 C C5' . . 2.480 2.568 2.566 2.571 0.091 6 0 "[ . 1 . 2]" 3
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