NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406817 |
1xwu   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xwu
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 228
_Distance_constraint_stats_list.Viol_count 24
_Distance_constraint_stats_list.Viol_total 1.100
_Distance_constraint_stats_list.Viol_max 0.125
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0458
_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 0.050 0.041 1 0 "[ ]"
1 2 G 0.142 0.055 1 0 "[ ]"
1 3 A 0.057 0.034 1 0 "[ ]"
1 4 A 0.012 0.012 1 0 "[ ]"
1 5 A 0.125 0.125 1 0 "[ ]"
1 6 C 0.253 0.125 1 0 "[ ]"
1 7 A 0.149 0.101 1 0 "[ ]"
1 8 U 0.375 0.122 1 0 "[ ]"
1 9 A 0.209 0.122 1 0 "[ ]"
1 10 G 0.081 0.081 1 0 "[ ]"
1 11 A 0.081 0.081 1 0 "[ ]"
1 12 U 0.016 0.016 1 0 "[ ]"
1 13 U 0.010 0.010 1 0 "[ ]"
1 14 C 0.143 0.072 1 0 "[ ]"
1 15 G 0.209 0.072 1 0 "[ ]"
1 16 A 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 G H1 1 13 U H3 . . 6.000 4.715 4.715 4.715 . 0 0 "[ ]" 1
2 1 2 G H1 1 2 G H1' . . 6.000 6.055 6.055 6.055 0.055 1 0 "[ ]" 1
3 1 2 G H1 1 3 A H1' . . 4.000 4.034 4.034 4.034 0.034 1 0 "[ ]" 1
4 1 2 G H1 1 14 C H42 . . 4.000 4.011 4.011 4.011 0.011 1 0 "[ ]" 1
5 1 2 G H1 1 14 C H41 . . 4.000 2.530 2.530 2.530 . 0 0 "[ ]" 1
6 1 2 G H1' 1 15 G H1 . . 6.000 4.966 4.966 4.966 . 0 0 "[ ]" 1
7 1 1 C H42 1 15 G H1 . . 4.000 4.009 4.009 4.009 0.009 1 0 "[ ]" 1
8 1 1 C H41 1 15 G H1 . . 4.000 2.527 2.527 2.527 . 0 0 "[ ]" 1
9 1 13 U H3 1 14 C H5 . . 6.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
10 1 3 A H2 1 13 U H3 . . 4.000 2.843 2.843 2.843 . 0 0 "[ ]" 1
11 1 3 A H61 1 13 U H3 . . 4.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
12 1 3 A H62 1 13 U H3 . . 4.000 4.010 4.010 4.010 0.010 1 0 "[ ]" 1
13 1 4 A H2 1 13 U H3 . . 6.000 3.162 3.162 3.162 . 0 0 "[ ]" 1
14 1 6 C H41 1 7 A H1' . . 6.000 5.633 5.633 5.633 . 0 0 "[ ]" 1
15 1 5 A H2 1 11 A H2 4.000 . 4.000 3.365 3.365 3.365 . 0 0 "[ ]" 1
16 1 11 A H1' 1 11 A H8 4.000 . 4.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
17 1 11 A H1' 1 12 U H6 4.000 . 4.000 3.966 3.966 3.966 . 0 0 "[ ]" 1
18 1 1 C H5 1 1 C H6 3.000 . 3.000 2.419 2.419 2.419 . 0 0 "[ ]" 1
19 1 7 A H1' 1 7 A H8 4.000 . 4.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
20 1 7 A H1' 1 8 U H6 4.000 . 4.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
21 1 16 A H1' 1 16 A H8 4.000 . 4.000 3.888 3.888 3.888 . 0 0 "[ ]" 1
22 1 4 A H2 1 5 A H1' 4.000 . 4.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
23 1 5 A H1' 1 6 C H6 4.000 . 4.000 4.125 4.125 4.125 0.125 1 0 "[ ]" 1
24 1 9 A H1' 1 9 A H8 4.000 . 4.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
25 1 3 A H1' 1 3 A H8 4.000 . 4.000 3.774 3.774 3.774 . 0 0 "[ ]" 1
26 1 3 A H1' 1 4 A H8 5.000 . 5.000 4.977 4.977 4.977 . 0 0 "[ ]" 1
27 1 8 U H5 1 8 U H6 3.000 . 3.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
28 1 7 A H1' 1 8 U H5 4.000 . 4.000 2.294 2.294 2.294 . 0 0 "[ ]" 1
29 1 2 G H1' 1 3 A H8 5.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
30 1 2 G H1' 1 2 G H8 4.000 . 4.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
31 1 4 A H1' 1 4 A H8 5.000 . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
32 1 3 A H2 1 4 A H1' 4.000 . 4.000 3.144 3.144 3.144 . 0 0 "[ ]" 1
33 1 1 C H1' 1 1 C H6 4.000 . 4.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
34 1 1 C H1' 1 16 A H2 4.000 . 4.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
35 1 1 C H1' 1 2 G H8 4.000 . 4.000 4.041 4.041 4.041 0.041 1 0 "[ ]" 1
36 1 15 G H1' 1 16 A H8 5.000 . 5.000 4.763 4.763 4.763 . 0 0 "[ ]" 1
37 1 13 U H1' 1 13 U H6 4.000 . 4.000 3.737 3.737 3.737 . 0 0 "[ ]" 1
38 1 15 G H1' 1 15 G H8 4.000 . 4.000 3.819 3.819 3.819 . 0 0 "[ ]" 1
39 1 4 A H2 1 13 U H1' 4.000 . 4.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
40 1 14 C H5 1 14 C H6 3.000 . 3.000 2.404 2.404 2.404 . 0 0 "[ ]" 1
41 1 8 U H1' 1 8 U H6 4.000 . 4.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
42 1 14 C H1' 1 14 C H6 4.000 . 4.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
43 1 14 C H1' 1 15 G H8 4.000 . 4.000 4.072 4.072 4.072 0.072 1 0 "[ ]" 1
44 1 3 A H2 1 14 C H1' 4.000 . 4.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
45 1 16 A H1' 1 16 A H2 7.000 . 7.000 4.591 4.591 4.591 . 0 0 "[ ]" 1
46 1 11 A H2 1 12 U H1' 4.000 . 4.000 2.962 2.962 2.962 . 0 0 "[ ]" 1
47 1 12 U H1' 1 12 U H6 4.000 . 4.000 3.690 3.690 3.690 . 0 0 "[ ]" 1
48 1 13 U H5 1 13 U H6 3.000 . 3.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
49 1 5 A H2 1 6 C H1' 4.000 . 4.000 3.154 3.154 3.154 . 0 0 "[ ]" 1
50 1 10 G H1' 1 10 G H8 5.000 . 5.000 3.673 3.673 3.673 . 0 0 "[ ]" 1
51 1 10 G H1' 1 11 A H8 4.000 . 4.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
52 1 12 U H5 1 12 U H6 4.000 . 4.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
53 1 11 A H2' 1 12 U H6 4.000 . 4.000 3.984 3.984 3.984 . 0 0 "[ ]" 1
54 1 11 A H1' 1 11 A H2' 4.000 . 4.000 3.057 3.057 3.057 . 0 0 "[ ]" 1
55 1 10 G H2' 1 11 A H8 4.000 . 4.000 4.081 4.081 4.081 0.081 1 0 "[ ]" 1
56 1 6 C H5 1 6 C H6 4.000 . 4.000 2.393 2.393 2.393 . 0 0 "[ ]" 1
57 1 10 G H2' 1 10 G H8 3.000 . 3.000 2.355 2.355 2.355 . 0 0 "[ ]" 1
58 1 10 G H1' 1 10 G H2' 4.000 . 4.000 3.048 3.048 3.048 . 0 0 "[ ]" 1
59 1 9 A H1' 1 9 A H2' 3.000 . 3.000 3.003 3.003 3.003 0.003 1 0 "[ ]" 1
60 1 2 G H2' 1 3 A H8 3.000 . 3.000 2.645 2.645 2.645 . 0 0 "[ ]" 1
61 1 1 C H2' 1 1 C H6 4.000 . 4.000 3.139 3.139 3.139 . 0 0 "[ ]" 1
62 1 1 C H2' 1 2 G H8 3.000 . 3.000 1.875 1.875 1.875 . 0 0 "[ ]" 1
63 1 2 G H1' 1 2 G H2' 3.000 . 3.000 2.724 2.724 2.724 . 0 0 "[ ]" 1
64 1 1 C H1' 1 1 C H2' 3.000 . 3.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
65 1 11 A H1' 1 11 A H4' 4.000 . 4.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
66 1 7 A H2' 1 7 A H8 3.000 . 3.000 2.604 2.604 2.604 . 0 0 "[ ]" 1
67 1 7 A H1' 1 7 A H2' 4.000 . 4.000 3.058 3.058 3.058 . 0 0 "[ ]" 1
68 1 7 A H1' 1 7 A H3' 4.000 . 4.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
69 1 3 A H2' 1 3 A H8 5.000 . 5.000 4.103 4.103 4.103 . 0 0 "[ ]" 1
70 1 3 A H2' 1 4 A H1' 4.000 . 4.000 4.012 4.012 4.012 0.012 1 0 "[ ]" 1
71 1 3 A H2' 1 4 A H8 3.000 . 3.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
72 1 3 A H1' 1 3 A H2' 3.000 . 3.000 2.770 2.770 2.770 . 0 0 "[ ]" 1
73 1 10 G H1' 1 10 G H4' 4.000 . 4.000 2.800 2.800 2.800 . 0 0 "[ ]" 1
74 1 15 G H2' 1 16 A H8 3.000 . 3.000 2.785 2.785 2.785 . 0 0 "[ ]" 1
75 1 15 G H2' 1 15 G H8 3.000 . 3.000 3.041 3.041 3.041 0.041 1 0 "[ ]" 1
76 1 15 G H1' 1 15 G H2' 3.000 . 3.000 3.027 3.027 3.027 0.027 1 0 "[ ]" 1
77 1 14 C H2' 1 14 C H6 4.000 . 4.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
78 1 14 C H2' 1 15 G H8 3.000 . 3.000 1.869 1.869 1.869 . 0 0 "[ ]" 1
79 1 7 A H1' 1 7 A H4' 4.000 . 4.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
80 1 14 C H1' 1 14 C H2' 3.000 . 3.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
81 1 14 C H2' 1 15 G H1' 4.000 . 4.000 4.060 4.060 4.060 0.060 1 0 "[ ]" 1
82 1 5 A H2' 1 5 A H8 5.000 . 5.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
83 1 8 U H3' 1 8 U H6 4.000 . 4.000 4.049 4.049 4.049 0.049 1 0 "[ ]" 1
84 1 5 A H2' 1 6 C H6 4.000 . 4.000 2.114 2.114 2.114 . 0 0 "[ ]" 1
85 1 5 A H1' 1 5 A H2' 3.000 . 3.000 2.620 2.620 2.620 . 0 0 "[ ]" 1
86 1 5 A H2' 1 6 C H1' 5.000 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
87 1 12 U H2' 1 13 U H6 3.000 . 3.000 2.355 2.355 2.355 . 0 0 "[ ]" 1
88 1 13 U H2' 1 14 C H6 3.000 . 3.000 2.261 2.261 2.261 . 0 0 "[ ]" 1
89 1 13 U H1' 1 13 U H2' 3.000 . 3.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
90 1 12 U H2' 1 12 U H6 3.000 . 3.000 3.016 3.016 3.016 0.016 1 0 "[ ]" 1
91 1 6 C H1' 1 6 C H4' 4.000 . 4.000 3.115 3.115 3.115 . 0 0 "[ ]" 1
92 1 12 U H1' 1 12 U H4' 4.000 . 4.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
93 1 4 A H2' 1 4 A H8 5.000 . 5.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
94 1 4 A H2' 1 5 A H8 3.000 . 3.000 2.478 2.478 2.478 . 0 0 "[ ]" 1
95 1 4 A H2' 1 5 A H1' 5.000 . 5.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
96 1 4 A H1' 1 4 A H2' 4.000 . 4.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
97 1 6 C H2' 1 7 A H8 4.000 . 4.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
98 1 6 C H1' 1 6 C H2' 3.000 . 3.000 2.895 2.895 2.895 . 0 0 "[ ]" 1
99 1 6 C H2' 1 6 C H6 4.000 . 4.000 4.027 4.027 4.027 0.027 1 0 "[ ]" 1
100 1 8 U H2' 1 8 U H5 4.000 . 4.000 4.071 4.071 4.071 0.071 1 0 "[ ]" 1
101 1 8 U H1' 1 8 U H2' 4.000 . 4.000 3.054 3.054 3.054 . 0 0 "[ ]" 1
102 1 8 U H2' 1 8 U H6 3.000 . 3.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
103 1 16 A H1' 1 16 A H2' 3.000 . 3.000 2.836 2.836 2.836 . 0 0 "[ ]" 1
104 1 16 A H2' 1 16 A H8 4.000 . 4.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
105 1 6 C H1' 1 6 C H6 4.000 . 4.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
106 1 5 A H1' 1 5 A H8 4.000 . 4.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
107 1 9 A H2' 1 9 A H8 3.000 . 3.000 2.658 2.658 2.658 . 0 0 "[ ]" 1
108 1 9 A H2' 1 10 G H8 7.000 . 7.000 4.686 4.686 4.686 . 0 0 "[ ]" 1
109 1 11 A H2' 1 11 A H8 3.000 . 3.000 2.781 2.781 2.781 . 0 0 "[ ]" 1
110 1 8 U H1' 1 8 U H3' 5.000 . 5.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
111 1 10 G H8 1 11 A H8 7.000 . 7.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
112 1 7 A H8 1 9 A H2 7.000 . 7.000 5.561 5.561 5.561 . 0 0 "[ ]" 1
113 1 13 U H6 1 14 C H6 7.000 . 7.000 4.544 4.544 4.544 . 0 0 "[ ]" 1
114 1 1 C H6 1 16 A H2 7.000 . 7.000 6.263 6.263 6.263 . 0 0 "[ ]" 1
115 1 1 C H6 1 2 G H8 7.000 . 7.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
116 1 2 G H8 1 3 A H8 7.000 . 7.000 5.021 5.021 5.021 . 0 0 "[ ]" 1
117 1 3 A H8 1 4 A H8 7.000 . 7.000 5.021 5.021 5.021 . 0 0 "[ ]" 1
118 1 4 A H8 1 5 A H8 7.000 . 7.000 5.019 5.019 5.019 . 0 0 "[ ]" 1
119 1 3 A H2 1 4 A H8 7.000 . 7.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
120 1 7 A H8 1 8 U H6 7.000 . 7.000 7.049 7.049 7.049 0.049 1 0 "[ ]" 1
121 1 8 U H6 1 9 A H2 7.000 . 7.000 3.364 3.364 3.364 . 0 0 "[ ]" 1
122 1 14 C H6 1 15 G H8 7.000 . 7.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
123 1 15 G H8 1 16 A H8 7.000 . 7.000 4.930 4.930 4.930 . 0 0 "[ ]" 1
124 1 12 U H6 1 13 U H6 7.000 . 7.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
125 1 11 A H8 1 12 U H6 7.000 . 7.000 5.328 5.328 5.328 . 0 0 "[ ]" 1
126 1 4 A H2 1 5 A H2 7.000 . 7.000 4.602 4.602 4.602 . 0 0 "[ ]" 1
127 1 4 A H2 1 5 A H8 7.000 . 7.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
128 1 3 A H2 1 4 A H2 7.000 . 7.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
129 1 5 A H8 1 6 C H6 7.000 . 7.000 4.324 4.324 4.324 . 0 0 "[ ]" 1
130 1 6 C H6 1 7 A H8 7.000 . 7.000 5.010 5.010 5.010 . 0 0 "[ ]" 1
131 1 11 A H1' 1 12 U H1' 7.000 . 7.000 5.179 5.179 5.179 . 0 0 "[ ]" 1
132 1 1 C H5 1 16 A H2 7.000 . 7.000 6.913 6.913 6.913 . 0 0 "[ ]" 1
133 1 7 A H1' 1 9 A H2 7.000 . 7.000 2.282 2.282 2.282 . 0 0 "[ ]" 1
134 1 5 A H1' 1 5 A H2 7.000 . 7.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
135 1 3 A H1' 1 3 A H2 7.000 . 7.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
136 1 8 U H5 1 9 A H2 7.000 . 7.000 3.267 3.267 3.267 . 0 0 "[ ]" 1
137 1 4 A H1' 1 4 A H2 7.000 . 7.000 4.653 4.653 4.653 . 0 0 "[ ]" 1
138 1 4 A H1' 1 5 A H8 7.000 . 7.000 4.855 4.855 4.855 . 0 0 "[ ]" 1
139 1 1 C H1' 1 1 C H5 7.000 . 7.000 5.435 5.435 5.435 . 0 0 "[ ]" 1
140 1 3 A H2 1 14 C H5 7.000 . 7.000 5.709 5.709 5.709 . 0 0 "[ ]" 1
141 1 8 U H1' 1 9 A H2 7.000 . 7.000 5.989 5.989 5.989 . 0 0 "[ ]" 1
142 1 8 U H1' 1 8 U H5 7.000 . 7.000 5.389 5.389 5.389 . 0 0 "[ ]" 1
143 1 7 A H1' 1 8 U H1' 7.000 . 7.000 6.946 6.946 6.946 . 0 0 "[ ]" 1
144 1 14 C H1' 1 14 C H5 7.000 . 7.000 5.383 5.383 5.383 . 0 0 "[ ]" 1
145 1 5 A H2 1 12 U H1' 7.000 . 7.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
146 1 13 U H5 1 14 C H5 7.000 . 7.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
147 1 6 C H1' 1 11 A H2 7.000 . 7.000 5.569 5.569 5.569 . 0 0 "[ ]" 1
148 1 6 C H1' 1 7 A H8 7.000 . 7.000 6.007 6.007 6.007 . 0 0 "[ ]" 1
149 1 6 C H1' 1 9 A H2 7.000 . 7.000 5.738 5.738 5.738 . 0 0 "[ ]" 1
150 1 5 A H1' 1 6 C H1' 7.000 . 7.000 5.690 5.690 5.690 . 0 0 "[ ]" 1
151 1 6 C H1' 1 7 A H1' 7.000 . 7.000 6.350 6.350 6.350 . 0 0 "[ ]" 1
152 1 10 G H1' 1 11 A H1' 7.000 . 7.000 3.049 3.049 3.049 . 0 0 "[ ]" 1
153 1 11 A H8 1 12 U H5 7.000 . 7.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
154 1 12 U H1' 1 12 U H5 7.000 . 7.000 5.412 5.412 5.412 . 0 0 "[ ]" 1
155 1 11 A H1' 1 12 U H5 7.000 . 7.000 5.307 5.307 5.307 . 0 0 "[ ]" 1
156 1 11 A H2 1 11 A H2' 7.000 . 7.000 6.620 6.620 6.620 . 0 0 "[ ]" 1
157 1 8 U H1' 1 9 A H2' 7.000 . 7.000 5.367 5.367 5.367 . 0 0 "[ ]" 1
158 1 7 A H2' 1 8 U H6 7.000 . 7.000 5.319 5.319 5.319 . 0 0 "[ ]" 1
159 1 7 A H3' 1 8 U H5 7.000 . 7.000 4.792 4.792 4.792 . 0 0 "[ ]" 1
160 1 3 A H2 1 14 C H2' 7.000 . 7.000 5.899 5.899 5.899 . 0 0 "[ ]" 1
161 1 8 U H3' 1 8 U H5 7.000 . 7.000 6.174 6.174 6.174 . 0 0 "[ ]" 1
162 1 5 A H2 1 12 U H2' 7.000 . 7.000 6.197 6.197 6.197 . 0 0 "[ ]" 1
163 1 11 A H2 1 12 U H2' 7.000 . 7.000 5.425 5.425 5.425 . 0 0 "[ ]" 1
164 1 4 A H2 1 13 U H2' 7.000 . 7.000 5.951 5.951 5.951 . 0 0 "[ ]" 1
165 1 3 A H2 1 4 A H2' 7.000 . 7.000 5.452 5.452 5.452 . 0 0 "[ ]" 1
166 1 6 C H2' 1 7 A H1' 7.000 . 7.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
167 1 7 A H1' 1 7 A H2 7.000 . 7.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
168 1 7 A H2' 1 9 A H2 7.000 . 7.000 5.168 5.168 5.168 . 0 0 "[ ]" 1
169 1 8 U H5' 1 9 A H2 5.000 . 5.000 3.414 3.414 3.414 . 0 0 "[ ]" 1
170 1 8 U H5'' 1 9 A H2 5.000 . 5.000 5.055 5.055 5.055 0.055 1 0 "[ ]" 1
171 1 8 U H5' 1 8 U H6 5.000 . 5.000 2.319 2.319 2.319 . 0 0 "[ ]" 1
172 1 8 U H5'' 1 8 U H6 5.000 . 5.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
173 1 8 U H4' 1 9 A H2 7.000 . 7.000 5.663 5.663 5.663 . 0 0 "[ ]" 1
174 1 6 C H2' 1 9 A H2 5.000 . 5.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
175 1 7 A H4' 1 9 A H2 4.000 . 4.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
176 1 7 A H3' 1 9 A H2 7.000 . 7.000 5.369 5.369 5.369 . 0 0 "[ ]" 1
177 1 7 A H3' 1 8 U H6 7.000 . 7.000 4.801 4.801 4.801 . 0 0 "[ ]" 1
178 1 7 A H2' 1 8 U H5 7.000 . 7.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
179 1 7 A H4' 1 8 U H5 7.000 . 7.000 5.053 5.053 5.053 . 0 0 "[ ]" 1
180 1 8 U H5 1 9 A H4' 7.000 . 7.000 7.122 7.122 7.122 0.122 1 0 "[ ]" 1
181 1 6 C C5' 1 7 A H1' 7.000 . 7.000 7.101 7.101 7.101 0.101 1 0 "[ ]" 1
182 1 11 A H1' 1 11 A H3' 5.000 . 5.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
183 1 9 A C5' 1 9 A H1' 7.000 . 7.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
184 1 9 A H1' 1 10 G C5' 7.000 . 7.000 5.608 5.608 5.608 . 0 0 "[ ]" 1
185 1 8 U H4' 1 9 A H1' 5.000 . 5.000 3.444 3.444 3.444 . 0 0 "[ ]" 1
186 1 7 A H1' 1 8 U H4' 7.000 . 7.000 6.843 6.843 6.843 . 0 0 "[ ]" 1
187 1 6 C C5' 1 6 C H1' 7.000 . 7.000 4.335 4.335 4.335 . 0 0 "[ ]" 1
188 1 6 C H1' 1 6 C H3' 7.000 . 7.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
189 1 10 G H1' 1 10 G H3' 7.000 . 7.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
190 1 10 G H1' 1 10 G H5' 7.000 . 7.000 4.813 4.813 4.813 . 0 0 "[ ]" 1
191 1 10 G H1' 1 10 G H5'' 7.000 . 7.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
192 1 6 C C5' 1 6 C H6 7.000 . 7.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
193 1 6 C H4' 1 6 C H6 7.000 . 7.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
194 1 6 C H3' 1 6 C H6 5.000 . 5.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
195 1 5 A H3' 1 6 C H6 5.000 . 5.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
196 1 5 A H4' 1 6 C H6 7.000 . 7.000 5.234 5.234 5.234 . 0 0 "[ ]" 1
197 1 6 C C5' 1 7 A H8 7.000 . 7.000 4.297 4.297 4.297 . 0 0 "[ ]" 1
198 1 6 C H3' 1 7 A H8 5.000 . 5.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
199 1 9 A C5' 1 9 A H8 7.000 . 7.000 5.382 5.382 5.382 . 0 0 "[ ]" 1
200 1 7 A H2' 1 8 U C5' 7.000 . 7.000 6.481 6.481 6.481 . 0 0 "[ ]" 1
201 1 8 U C5' 1 9 A H2' 7.000 . 7.000 7.029 7.029 7.029 0.029 1 0 "[ ]" 1
202 1 7 A H1' 1 8 U C5' 7.000 . 7.000 5.140 5.140 5.140 . 0 0 "[ ]" 1
203 1 8 U C5' 1 8 U H5 7.000 . 7.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
204 1 8 U H1' 1 9 A H8 7.000 . 7.000 4.640 4.640 4.640 . 0 0 "[ ]" 1
205 1 9 A H1' 1 10 G H8 7.000 . 7.000 6.986 6.986 6.986 . 0 0 "[ ]" 1
206 1 5 A H3' 1 5 A H8 5.000 . 5.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
207 1 4 A H3' 1 5 A H8 5.000 . 5.000 4.026 4.026 4.026 . 0 0 "[ ]" 1
208 1 4 A H3' 1 4 A H8 5.000 . 5.000 2.710 2.710 2.710 . 0 0 "[ ]" 1
209 1 3 A H3' 1 4 A H8 5.000 . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
210 1 3 A H3' 1 3 A H8 5.000 . 5.000 2.968 2.968 2.968 . 0 0 "[ ]" 1
211 1 2 G H3' 1 3 A H8 5.000 . 5.000 3.172 3.172 3.172 . 0 0 "[ ]" 1
212 1 2 G H3' 1 2 G H8 5.000 . 5.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
213 1 1 C H3' 1 2 G H8 5.000 . 5.000 4.032 4.032 4.032 . 0 0 "[ ]" 1
214 1 1 C H3' 1 1 C H6 5.000 . 5.000 3.092 3.092 3.092 . 0 0 "[ ]" 1
215 1 12 U H3' 1 12 U H6 5.000 . 5.000 3.221 3.221 3.221 . 0 0 "[ ]" 1
216 1 12 U H3' 1 13 U H6 5.000 . 5.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
217 1 13 U H3' 1 13 U H6 5.000 . 5.000 2.263 2.263 2.263 . 0 0 "[ ]" 1
218 1 13 U H3' 1 14 C H6 5.000 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
219 1 14 C H3' 1 14 C H6 5.000 . 5.000 2.443 2.443 2.443 . 0 0 "[ ]" 1
220 1 14 C H3' 1 15 G H8 5.000 . 5.000 2.849 2.849 2.849 . 0 0 "[ ]" 1
221 1 15 G H3' 1 15 G H8 5.000 . 5.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
222 1 15 G H3' 1 16 A H8 5.000 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
223 1 16 A H3' 1 16 A H8 5.000 . 5.000 2.604 2.604 2.604 . 0 0 "[ ]" 1
224 1 11 A H3' 1 12 U H6 7.000 . 7.000 5.404 5.404 5.404 . 0 0 "[ ]" 1
225 1 11 A H4' 1 12 U H6 7.000 . 7.000 6.680 6.680 6.680 . 0 0 "[ ]" 1
226 1 7 A H8 1 8 U H5 7.000 . 7.000 5.772 5.772 5.772 . 0 0 "[ ]" 1
227 1 7 A H2 1 8 U H5 7.000 . 7.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
228 1 5 A H1' 1 6 C H4' 7.000 . 7.000 6.024 6.024 6.024 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 13
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.014
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0029
_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 2 G 0.001 0.001 1 0 "[ ]"
1 3 A 0.006 0.006 1 0 "[ ]"
1 4 A 0.003 0.003 1 0 "[ ]"
1 6 C 0.006 0.004 1 0 "[ ]"
1 10 G 0.006 0.004 1 0 "[ ]"
1 12 U 0.003 0.003 1 0 "[ ]"
1 13 U 0.006 0.006 1 0 "[ ]"
1 14 C 0.001 0.001 1 0 "[ ]"
1 15 G 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 C O2 1 15 G H21 . . 2.000 1.954 1.954 1.954 . 0 0 "[ ]" 2
2 1 1 C N3 1 15 G H1 . . 2.000 1.945 1.945 1.945 . 0 0 "[ ]" 2
3 1 1 C H41 1 15 G O6 . . 2.000 1.982 1.982 1.982 . 0 0 "[ ]" 2
4 1 2 G H21 1 14 C O2 . . 2.000 2.001 2.001 2.001 0.001 1 0 "[ ]" 2
5 1 2 G H1 1 14 C N3 . . 2.000 1.997 1.997 1.997 . 0 0 "[ ]" 2
6 1 2 G O6 1 14 C H41 . . 2.000 1.933 1.933 1.933 . 0 0 "[ ]" 2
7 1 3 A H61 1 13 U O4 . . 2.000 2.006 2.006 2.006 0.006 1 0 "[ ]" 2
8 1 3 A N1 1 13 U H3 . . 2.000 1.932 1.932 1.932 . 0 0 "[ ]" 2
9 1 4 A H61 1 12 U O4 . . 2.000 2.003 2.003 2.003 0.003 1 0 "[ ]" 2
10 1 4 A N1 1 12 U H3 . . 2.000 1.977 1.977 1.977 . 0 0 "[ ]" 2
11 1 6 C O2 1 10 G H21 . . 2.000 1.937 1.937 1.937 . 0 0 "[ ]" 2
12 1 6 C N3 1 10 G H1 . . 2.000 2.001 2.001 2.001 0.001 1 0 "[ ]" 2
13 1 6 C H41 1 10 G O6 . . 2.000 2.004 2.004 2.004 0.004 1 0 "[ ]" 2
stop_
save_
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