Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
552277 | 2lbk RC | 17564 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbk
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 202
_Distance_constraint_stats_list.Viol_count 217
_Distance_constraint_stats_list.Viol_total 787.739
_Distance_constraint_stats_list.Viol_max 2.167
_Distance_constraint_stats_list.Viol_rms 0.2819
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0609
_Distance_constraint_stats_list.Viol_average_violations_only 0.4538
_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 11.162 1.616 3 8 [**+****-]
1 2 G 0.000 0.000 . 0 "[ . ]"
1 3 G 3.244 0.658 3 4 "[* +-.* ]"
1 4 A 3.917 0.693 8 1 "[ . +]"
1 5 C 2.679 0.352 4 0 "[ . ]"
1 6 C 1.553 0.309 3 0 "[ . ]"
1 7 U 1.497 0.340 5 0 "[ . ]"
1 8 U 26.886 2.016 6 8 [*****+-*]
1 9 C 27.188 2.167 7 8 [******+*]
1 10 C 2.689 0.554 8 2 "[ -. +]"
1 11 C 1.271 0.560 6 1 "[ .+ ]"
1 12 G 7.695 0.969 3 7 "[**+-* **]"
1 13 G 2.514 0.234 5 0 "[ . ]"
1 14 U 0.893 0.082 4 0 "[ . ]"
1 15 C 0.731 0.260 1 0 "[ . ]"
1 16 U 17.736 2.162 5 8 [*-**+***]
1 17 C 1.535 0.518 3 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 G H1' 1 1 G H8 5.000 . 5.000 3.838 3.825 3.850 . 0 0 "[ . ]" 1
2 1 1 G H1' 1 2 G H8 6.000 . 6.000 5.031 4.775 5.257 . 0 0 "[ . ]" 1
3 1 2 G H1' 1 2 G H8 5.000 . 5.000 3.786 3.759 3.809 . 0 0 "[ . ]" 1
4 1 2 G H1' 1 3 G H8 6.000 . 6.000 5.144 5.033 5.382 . 0 0 "[ . ]" 1
5 1 3 G H1' 1 3 G H8 5.000 . 5.000 3.814 3.784 3.832 . 0 0 "[ . ]" 1
6 1 3 G H1' 1 4 A H8 6.000 . 6.000 5.123 5.099 5.177 . 0 0 "[ . ]" 1
7 1 4 A H1' 1 4 A H8 5.000 . 5.000 3.779 3.770 3.790 . 0 0 "[ . ]" 1
8 1 4 A H1' 1 5 C H6 6.000 . 6.000 5.072 5.066 5.081 . 0 0 "[ . ]" 1
9 1 5 C H1' 1 5 C H6 5.000 . 5.000 3.643 3.634 3.653 . 0 0 "[ . ]" 1
10 1 5 C H1' 1 6 C H6 6.000 . 6.000 4.959 4.931 5.010 . 0 0 "[ . ]" 1
11 1 6 C H1' 1 6 C H6 5.000 . 5.000 3.656 3.648 3.662 . 0 0 "[ . ]" 1
12 1 6 C H1' 1 7 U H6 6.000 . 6.000 5.116 5.052 5.193 . 0 0 "[ . ]" 1
13 1 7 U H1' 1 7 U H6 5.000 . 5.000 3.641 3.637 3.647 . 0 0 "[ . ]" 1
14 1 7 U H1' 1 8 U H6 6.000 . 6.000 5.385 5.067 5.977 . 0 0 "[ . ]" 1
15 1 8 U H1' 1 8 U H6 5.000 . 5.000 3.642 3.628 3.661 . 0 0 "[ . ]" 1
16 1 8 U H1' 1 9 C H6 6.000 . 6.000 5.229 4.628 5.494 . 0 0 "[ . ]" 1
17 1 9 C H1' 1 9 C H6 5.000 . 5.000 3.641 3.632 3.654 . 0 0 "[ . ]" 1
18 1 9 C H1' 1 10 C H6 6.000 . 6.000 4.539 3.526 5.071 . 0 0 "[ . ]" 1
19 1 10 C H1' 1 10 C H6 5.000 . 5.000 3.517 3.473 3.536 . 0 0 "[ . ]" 1
20 1 10 C H1' 1 11 C H6 6.000 . 6.000 5.457 4.986 6.034 0.034 4 0 "[ . ]" 1
21 1 11 C H1' 1 11 C H6 5.000 . 5.000 3.495 3.458 3.550 . 0 0 "[ . ]" 1
22 1 11 C H1' 1 12 G H8 5.000 . 5.000 4.925 4.825 5.017 0.017 1 0 "[ . ]" 1
23 1 12 G H1' 1 12 G H8 5.000 . 5.000 3.646 3.565 3.717 . 0 0 "[ . ]" 1
24 1 12 G H1' 1 13 G H8 6.000 . 6.000 5.365 5.303 5.443 . 0 0 "[ . ]" 1
25 1 13 G H1' 1 13 G H8 5.000 . 5.000 3.754 3.729 3.771 . 0 0 "[ . ]" 1
26 1 13 G H1' 1 14 U H6 6.000 . 6.000 4.917 4.880 4.980 . 0 0 "[ . ]" 1
27 1 14 U H1' 1 14 U H6 5.000 . 5.000 3.576 3.573 3.579 . 0 0 "[ . ]" 1
28 1 14 U H1' 1 15 C H6 6.000 . 6.000 5.050 5.030 5.069 . 0 0 "[ . ]" 1
29 1 15 C H1' 1 15 C H6 5.000 . 5.000 3.535 3.511 3.551 . 0 0 "[ . ]" 1
30 1 15 C H1' 1 16 U H6 6.000 . 6.000 5.218 5.111 5.291 . 0 0 "[ . ]" 1
31 1 16 U H1' 1 16 U H6 5.000 . 5.000 3.640 3.634 3.648 . 0 0 "[ . ]" 1
32 1 16 U H1' 1 17 C H6 6.000 . 6.000 4.856 4.612 4.958 . 0 0 "[ . ]" 1
33 1 17 C H1' 1 17 C H6 5.000 . 5.000 3.534 3.499 3.551 . 0 0 "[ . ]" 1
34 1 1 G H8 1 2 G H8 7.000 . 7.000 5.706 5.473 5.897 . 0 0 "[ . ]" 1
35 1 2 G H8 1 3 G H8 7.000 . 7.000 5.081 4.864 5.484 . 0 0 "[ . ]" 1
36 1 3 G H8 1 4 A H8 7.000 . 7.000 5.235 5.100 5.346 . 0 0 "[ . ]" 1
37 1 4 A H8 1 5 C H6 7.000 . 7.000 5.513 5.451 5.557 . 0 0 "[ . ]" 1
38 1 5 C H6 1 6 C H6 6.000 . 6.000 5.564 5.482 5.629 . 0 0 "[ . ]" 1
39 1 6 C H6 1 7 U H5 7.000 . 7.000 3.369 3.068 3.710 . 0 0 "[ . ]" 1
40 1 6 C H6 1 7 U H6 7.000 . 7.000 4.489 4.245 4.773 . 0 0 "[ . ]" 1
41 1 6 C H5 1 7 U H6 7.000 . 7.000 5.420 5.115 5.746 . 0 0 "[ . ]" 1
42 1 8 U H6 1 9 C H6 7.000 . 7.000 6.817 6.555 6.970 . 0 0 "[ . ]" 1
43 1 10 C H6 1 11 C H6 6.000 . 6.000 4.243 3.723 4.539 . 0 0 "[ . ]" 1
44 1 10 C H6 1 11 C H5 6.000 . 6.000 4.703 4.079 5.085 . 0 0 "[ . ]" 1
45 1 11 C H6 1 12 G H8 6.000 . 6.000 4.752 4.484 5.041 . 0 0 "[ . ]" 1
46 1 11 C H5 1 12 G H8 6.000 . 6.000 5.500 5.174 5.821 . 0 0 "[ . ]" 1
47 1 12 G H8 1 13 G H8 6.000 . 6.000 4.933 4.680 5.256 . 0 0 "[ . ]" 1
48 1 13 G H8 1 14 U H6 6.000 . 6.000 6.066 6.053 6.082 0.082 4 0 "[ . ]" 1
49 1 14 U H6 1 15 C H6 7.000 . 7.000 4.841 4.759 4.930 . 0 0 "[ . ]" 1
50 1 15 C H6 1 16 U H6 7.000 . 7.000 5.651 5.428 5.848 . 0 0 "[ . ]" 1
51 1 16 U H6 1 17 C H6 7.000 . 7.000 5.751 5.548 5.905 . 0 0 "[ . ]" 1
52 1 1 G H1' 1 2 G H1' 5.900 . 5.900 5.592 5.296 5.846 . 0 0 "[ . ]" 1
53 1 2 G H1' 1 3 G H1' 6.000 . 6.000 5.210 4.988 5.518 . 0 0 "[ . ]" 1
54 1 3 G H1' 1 4 A H1' 6.000 . 6.000 5.585 5.369 5.825 . 0 0 "[ . ]" 1
55 1 4 A H1' 1 5 C H1' 6.000 . 6.000 5.415 5.293 5.544 . 0 0 "[ . ]" 1
56 1 5 C H1' 1 6 C H1' 6.000 . 6.000 6.032 6.009 6.045 0.045 6 0 "[ . ]" 1
57 1 6 C H1' 1 7 U H1' 6.000 . 6.000 5.816 5.659 6.011 0.011 5 0 "[ . ]" 1
58 1 11 C H1' 1 12 G H1' 6.000 . 6.000 5.039 4.800 5.245 . 0 0 "[ . ]" 1
59 1 12 G H1' 1 13 G H1' 6.000 . 6.000 5.660 5.482 5.769 . 0 0 "[ . ]" 1
60 1 13 G H1' 1 14 U H1' 6.000 . 6.000 6.026 6.018 6.033 0.033 5 0 "[ . ]" 1
61 1 14 U H1' 1 15 C H1' 5.900 . 5.900 5.408 5.268 5.513 . 0 0 "[ . ]" 1
62 1 15 C H1' 1 16 U H1' 5.900 . 5.900 5.895 5.797 5.919 0.019 3 0 "[ . ]" 1
63 1 16 U H1' 1 17 C H1' 5.900 . 5.900 5.793 5.691 5.899 . 0 0 "[ . ]" 1
64 1 4 A H1' 1 5 C H5 6.000 . 6.000 6.017 6.002 6.030 0.030 3 0 "[ . ]" 1
65 1 5 C H1' 1 5 C H5 6.000 . 6.000 5.390 5.382 5.397 . 0 0 "[ . ]" 1
66 1 6 C H1' 1 6 C H5 6.000 . 6.000 5.400 5.397 5.404 . 0 0 "[ . ]" 1
67 1 8 U H1' 1 8 U H5 6.000 . 6.000 5.395 5.385 5.407 . 0 0 "[ . ]" 1
68 1 10 C H5 1 11 C H1' 6.000 . 6.000 5.217 4.411 5.845 . 0 0 "[ . ]" 1
69 1 11 C H1' 1 11 C H5 6.000 . 6.000 5.282 5.258 5.321 . 0 0 "[ . ]" 1
70 1 13 G H1' 1 14 U H5 7.000 . 7.000 5.235 5.163 5.355 . 0 0 "[ . ]" 1
71 1 14 U H1' 1 14 U H5 6.000 . 6.000 5.338 5.336 5.340 . 0 0 "[ . ]" 1
72 1 14 U H5 1 15 C H1' 7.000 . 7.000 7.020 7.012 7.034 0.034 4 0 "[ . ]" 1
73 1 15 C H1' 1 16 U H5 6.000 . 6.000 5.870 5.774 5.992 . 0 0 "[ . ]" 1
74 1 5 C H5 1 6 C H5 7.000 . 7.000 4.841 4.729 5.145 . 0 0 "[ . ]" 1
75 1 6 C H5 1 7 U H5 7.000 . 7.000 3.597 3.372 3.921 . 0 0 "[ . ]" 1
76 1 9 C H5 1 10 C H5 7.000 . 7.000 5.991 5.261 6.733 . 0 0 "[ . ]" 1
77 1 10 C H5 1 11 C H5 6.000 . 6.000 4.753 3.135 5.948 . 0 0 "[ . ]" 1
78 1 4 A H8 1 5 C H5 7.000 . 7.000 4.802 4.722 4.884 . 0 0 "[ . ]" 1
79 1 13 G H8 1 14 U H5 7.000 . 7.000 5.097 5.063 5.132 . 0 0 "[ . ]" 1
80 1 4 A H1' 1 4 A H2 5.000 . 5.000 4.682 4.665 4.697 . 0 0 "[ . ]" 1
81 1 4 A H2 1 4 A H3' 7.000 . 7.000 6.858 6.822 6.897 . 0 0 "[ . ]" 1
82 1 4 A H2 1 5 C H1' 5.000 . 5.000 3.588 3.484 3.770 . 0 0 "[ . ]" 1
83 1 4 A H2 1 5 C HO2' 7.000 . 7.000 6.140 5.696 6.831 . 0 0 "[ . ]" 1
84 1 4 A H2 1 5 C H4' 7.000 . 7.000 6.388 6.329 6.466 . 0 0 "[ . ]" 1
85 1 4 A H2 1 14 U H5 7.000 . 7.000 6.449 6.420 6.518 . 0 0 "[ . ]" 1
86 1 1 G H8 1 1 G HO2' 3.900 . 3.900 5.254 5.124 5.516 1.616 3 8 [**+****-] 1
87 1 1 G H3' 1 1 G H8 2.900 . 2.900 2.752 2.688 2.813 . 0 0 "[ . ]" 1
88 1 1 G H4' 1 1 G H8 4.200 . 4.200 4.241 4.238 4.249 0.049 7 0 "[ . ]" 1
89 1 2 G H8 1 2 G HO2' 6.000 . 6.000 5.353 5.219 5.646 . 0 0 "[ . ]" 1
90 1 2 G H3' 1 2 G H8 5.000 . 5.000 3.026 2.924 3.138 . 0 0 "[ . ]" 1
91 1 2 G H4' 1 2 G H8 5.000 . 5.000 4.274 4.265 4.285 . 0 0 "[ . ]" 1
92 1 2 G H5' 1 2 G H8 6.000 . 6.000 3.835 3.653 3.881 . 0 0 "[ . ]" 1
93 1 2 G H3' 1 3 G H8 6.000 . 6.000 3.077 2.814 3.368 . 0 0 "[ . ]" 1
94 1 3 G H8 1 3 G HO2' 5.000 . 5.000 5.406 5.193 5.658 0.658 3 4 "[* +-.* ]" 1
95 1 3 G H3' 1 3 G H8 5.000 . 5.000 2.905 2.816 3.039 . 0 0 "[ . ]" 1
96 1 3 G H5' 1 3 G H8 6.000 . 6.000 3.851 3.797 3.927 . 0 0 "[ . ]" 1
97 1 3 G H3' 1 4 A H8 5.000 . 5.000 3.198 3.048 3.370 . 0 0 "[ . ]" 1
98 1 4 A H8 1 4 A HO2' 5.000 . 5.000 5.352 5.151 5.693 0.693 8 1 "[ . +]" 1
99 1 4 A H5' 1 4 A H8 5.000 . 5.000 3.862 3.756 3.908 . 0 0 "[ . ]" 1
100 1 4 A H5'' 1 4 A H8 5.000 . 5.000 3.970 3.942 4.045 . 0 0 "[ . ]" 1
101 1 4 A H3' 1 5 C H6 5.000 . 5.000 3.420 3.356 3.461 . 0 0 "[ . ]" 1
102 1 5 C H6 1 5 C HO2' 6.000 . 6.000 5.141 4.826 5.289 . 0 0 "[ . ]" 1
103 1 5 C H3' 1 5 C H6 5.000 . 5.000 2.557 2.510 2.603 . 0 0 "[ . ]" 1
104 1 5 C H5' 1 5 C H6 7.000 . 7.000 3.646 3.623 3.671 . 0 0 "[ . ]" 1
105 1 5 C H5'' 1 5 C H6 7.000 . 7.000 3.632 3.616 3.643 . 0 0 "[ . ]" 1
106 1 5 C HO2' 1 6 C H6 6.000 . 6.000 3.446 2.959 4.416 . 0 0 "[ . ]" 1
107 1 5 C H3' 1 6 C H6 6.000 . 6.000 3.798 3.736 3.849 . 0 0 "[ . ]" 1
108 1 6 C H6 1 6 C HO2' 5.000 . 5.000 5.059 4.819 5.244 0.244 7 0 "[ . ]" 1
109 1 6 C H3' 1 6 C H6 5.000 . 5.000 2.421 2.386 2.469 . 0 0 "[ . ]" 1
110 1 6 C H5' 1 6 C H6 6.000 . 6.000 3.472 3.437 3.487 . 0 0 "[ . ]" 1
111 1 6 C H5'' 1 6 C H6 6.000 . 6.000 3.623 3.611 3.640 . 0 0 "[ . ]" 1
112 1 6 C HO2' 1 7 U H6 6.000 . 6.000 4.278 3.772 5.017 . 0 0 "[ . ]" 1
113 1 7 U H6 1 7 U HO2' 5.000 . 5.000 5.012 4.806 5.261 0.261 2 0 "[ . ]" 1
114 1 7 U H3' 1 7 U H6 5.000 . 5.000 2.542 2.511 2.568 . 0 0 "[ . ]" 1
115 1 8 U H6 1 8 U HO2' 5.000 . 5.000 4.870 4.726 5.166 0.166 4 0 "[ . ]" 1
116 1 8 U H4' 1 8 U H6 5.000 . 5.000 3.815 3.800 3.844 . 0 0 "[ . ]" 1
117 1 8 U H3' 1 8 U H6 4.000 . 4.000 2.419 2.329 2.492 . 0 0 "[ . ]" 1
118 1 8 U HO2' 1 9 C H6 5.000 . 5.000 3.252 2.487 3.627 . 0 0 "[ . ]" 1
119 1 8 U H3' 1 9 C H6 5.000 . 5.000 4.878 4.804 5.001 0.001 5 0 "[ . ]" 1
120 1 9 C H6 1 9 C HO2' 5.000 . 5.000 4.997 4.815 5.295 0.295 6 0 "[ . ]" 1
121 1 9 C H3' 1 9 C H6 5.000 . 5.000 2.538 2.490 2.591 . 0 0 "[ . ]" 1
122 1 10 C H6 1 10 C HO2' 5.000 . 5.000 5.329 4.976 5.554 0.554 8 2 "[ -. +]" 1
123 1 10 C H3' 1 10 C H6 5.000 . 5.000 3.165 3.097 3.323 . 0 0 "[ . ]" 1
124 1 11 C H6 1 11 C HO2' 5.000 . 5.000 5.120 4.913 5.560 0.560 6 1 "[ .+ ]" 1
125 1 11 C H3' 1 11 C H6 5.000 . 5.000 3.237 3.030 3.371 . 0 0 "[ . ]" 1
126 1 11 C HO2' 1 12 G H8 5.000 . 5.000 4.729 4.082 5.012 0.012 3 0 "[ . ]" 1
127 1 11 C H3' 1 12 G H8 5.000 . 5.000 2.490 2.343 2.756 . 0 0 "[ . ]" 1
128 1 12 G H8 1 12 G HO2' 5.000 . 5.000 5.735 5.148 5.969 0.969 3 7 "[**+-* **]" 1
129 1 12 G H3' 1 12 G H8 4.000 . 4.000 3.449 3.200 3.724 . 0 0 "[ . ]" 1
130 1 12 G H5' 1 12 G H8 5.000 . 5.000 3.844 3.754 3.973 . 0 0 "[ . ]" 1
131 1 12 G H2' 1 13 G H8 6.000 . 6.000 2.904 2.843 2.976 . 0 0 "[ . ]" 1
132 1 12 G H3' 1 13 G H8 6.000 . 6.000 2.422 2.377 2.477 . 0 0 "[ . ]" 1
133 1 13 G H3' 1 13 G H8 5.000 . 5.000 3.171 3.110 3.257 . 0 0 "[ . ]" 1
134 1 13 G H5' 1 13 G H8 6.000 . 6.000 4.020 3.983 4.048 . 0 0 "[ . ]" 1
135 1 13 G H5'' 1 13 G H8 6.000 . 6.000 4.089 4.072 4.104 . 0 0 "[ . ]" 1
136 1 13 G H3' 1 14 U H6 6.000 . 6.000 3.660 3.567 3.703 . 0 0 "[ . ]" 1
137 1 14 U H3' 1 14 U H6 5.000 . 5.000 2.930 2.921 2.939 . 0 0 "[ . ]" 1
138 1 15 C H3' 1 16 U H6 6.000 . 6.000 3.160 2.968 3.302 . 0 0 "[ . ]" 1
139 1 16 U H6 1 16 U HO2' 5.000 . 5.000 5.112 4.836 5.334 0.334 1 0 "[ . ]" 1
140 1 17 C H6 1 17 C HO2' 5.000 . 5.000 5.180 4.943 5.518 0.518 3 1 "[ + . ]" 1
141 1 17 C H3' 1 17 C H6 5.000 . 5.000 3.068 3.002 3.201 . 0 0 "[ . ]" 1
142 1 2 G H1' 1 2 G HO2' 5.000 . 5.000 2.452 1.970 2.968 . 0 0 "[ . ]" 1
143 1 2 G H1' 1 2 G H3' 5.000 . 5.000 3.853 3.852 3.854 . 0 0 "[ . ]" 1
144 1 3 G H1' 1 3 G HO2' 5.000 . 5.000 2.716 1.977 3.418 . 0 0 "[ . ]" 1
145 1 3 G H1' 1 3 G H3' 5.000 . 5.000 3.854 3.853 3.855 . 0 0 "[ . ]" 1
146 1 3 G H3' 1 4 A H1' 7.000 . 7.000 6.164 6.106 6.203 . 0 0 "[ . ]" 1
147 1 4 A H1' 1 4 A HO2' 5.000 . 5.000 2.610 2.030 3.297 . 0 0 "[ . ]" 1
148 1 4 A H1' 1 4 A H3' 5.000 . 5.000 3.853 3.851 3.854 . 0 0 "[ . ]" 1
149 1 5 C H1' 1 5 C HO2' 4.000 . 4.000 2.839 2.310 3.274 . 0 0 "[ . ]" 1
150 1 5 C H1' 1 5 C H3' 5.000 . 5.000 3.849 3.848 3.850 . 0 0 "[ . ]" 1
151 1 5 C H1' 1 5 C H5' 5.000 . 5.000 4.781 4.771 4.798 . 0 0 "[ . ]" 1
152 1 5 C H1' 1 5 C H5'' 5.000 . 5.000 5.165 5.158 5.170 0.170 6 0 "[ . ]" 1
153 1 6 C H1' 1 6 C HO2' 5.000 . 5.000 2.683 1.974 3.422 . 0 0 "[ . ]" 1
154 1 6 C H1' 1 6 C H3' 5.000 . 5.000 3.856 3.854 3.858 . 0 0 "[ . ]" 1
155 1 6 C H3' 1 7 U H1' 6.000 . 6.000 5.913 5.687 6.010 0.010 5 0 "[ . ]" 1
156 1 7 U H1' 1 7 U HO2' 4.000 . 4.000 2.715 2.020 3.379 . 0 0 "[ . ]" 1
157 1 7 U H1' 1 7 U H3' 4.000 . 4.000 3.856 3.855 3.857 . 0 0 "[ . ]" 1
158 1 7 U HO2' 1 8 U H1' 6.000 . 6.000 5.240 4.292 6.340 0.340 5 0 "[ . ]" 1
159 1 7 U H3' 1 8 U H1' 6.000 . 6.000 6.007 5.980 6.025 0.025 7 0 "[ . ]" 1
160 1 8 U H1' 1 8 U HO2' 4.000 . 4.000 2.247 2.026 2.860 . 0 0 "[ . ]" 1
161 1 8 U H1' 1 8 U H3' 4.000 . 4.000 3.856 3.854 3.861 . 0 0 "[ . ]" 1
162 1 8 U H1' 1 9 C HO2' 6.000 . 6.000 7.148 6.647 7.869 1.869 4 8 [***+**-*] 1
163 1 8 U H1' 1 9 C H3' 6.000 . 6.000 4.029 3.830 4.529 . 0 0 "[ . ]" 1
164 1 9 C H1' 1 9 C HO2' 4.000 . 4.000 2.811 2.104 3.235 . 0 0 "[ . ]" 1
165 1 9 C H1' 1 9 C H3' 4.000 . 4.000 3.851 3.848 3.857 . 0 0 "[ . ]" 1
166 1 9 C H1' 1 9 C H5'' 5.000 . 5.000 5.135 5.006 5.157 0.157 2 0 "[ . ]" 1
167 1 10 C H1' 1 10 C HO2' 5.000 . 5.000 2.913 2.331 3.413 . 0 0 "[ . ]" 1
168 1 10 C H1' 1 10 C H3' 5.000 . 5.000 3.852 3.847 3.854 . 0 0 "[ . ]" 1
169 1 12 G H1' 1 12 G HO2' 5.000 . 5.000 3.057 2.007 3.432 . 0 0 "[ . ]" 1
170 1 11 C H3' 1 12 G H1' 6.000 . 6.000 5.354 5.195 5.533 . 0 0 "[ . ]" 1
171 1 12 G H1' 1 12 G H3' 5.000 . 5.000 3.844 3.839 3.849 . 0 0 "[ . ]" 1
172 1 12 G H3' 1 13 G H1' 5.000 . 5.000 5.222 5.212 5.234 0.234 5 0 "[ . ]" 1
173 1 13 G H1' 1 13 G HO2' 6.000 . 6.000 2.826 2.061 3.414 . 0 0 "[ . ]" 1
174 1 13 G H1' 1 13 G H3' 5.000 . 5.000 3.848 3.847 3.850 . 0 0 "[ . ]" 1
175 1 13 G H1' 1 13 G H5' 6.000 . 6.000 4.800 4.794 4.807 . 0 0 "[ . ]" 1
176 1 14 U H1' 1 14 U HO2' 5.000 . 5.000 2.491 2.009 3.089 . 0 0 "[ . ]" 1
177 1 14 U H1' 1 14 U H3' 5.000 . 5.000 3.854 3.852 3.855 . 0 0 "[ . ]" 1
178 1 15 C H1' 1 15 C HO2' 5.000 . 5.000 2.436 2.068 2.652 . 0 0 "[ . ]" 1
179 1 15 C H1' 1 15 C H3' 5.000 . 5.000 3.854 3.853 3.855 . 0 0 "[ . ]" 1
180 1 16 U H1' 1 16 U HO2' 6.000 . 6.000 2.567 1.988 3.322 . 0 0 "[ . ]" 1
181 1 17 C H1' 1 17 C HO2' 5.000 . 5.000 2.618 1.957 3.411 . 0 0 "[ . ]" 1
182 1 17 C H1' 1 17 C H3' 5.000 . 5.000 3.829 3.828 3.829 . 0 0 "[ . ]" 1
183 1 4 A HO2' 1 5 C H5 6.000 . 6.000 6.027 5.458 6.352 0.352 4 0 "[ . ]" 1
184 1 4 A H3' 1 5 C H5 5.000 . 5.000 3.577 3.522 3.609 . 0 0 "[ . ]" 1
185 1 5 C H3' 1 5 C H5 5.000 . 5.000 4.515 4.494 4.549 . 0 0 "[ . ]" 1
186 1 5 C HO2' 1 6 C H5 6.000 . 6.000 5.023 4.662 5.694 . 0 0 "[ . ]" 1
187 1 5 C H3' 1 6 C H5 6.000 . 6.000 3.562 3.495 3.748 . 0 0 "[ . ]" 1
188 1 6 C HO2' 1 7 U H5 6.000 . 6.000 5.804 5.382 6.309 0.309 3 0 "[ . ]" 1
189 1 6 C H3' 1 7 U H5 6.000 . 6.000 2.822 2.620 3.030 . 0 0 "[ . ]" 1
190 1 8 U H5 1 8 U HO2' 5.000 . 5.000 6.901 6.844 7.016 2.016 6 8 [*-***+**] 1
191 1 8 U H3' 1 8 U H5 5.000 . 5.000 4.349 4.331 4.381 . 0 0 "[ . ]" 1
192 1 8 U H4' 1 8 U H5 6.000 . 6.000 6.240 6.226 6.266 0.266 2 0 "[ . ]" 1
193 1 9 C H5 1 9 C HO2' 5.000 . 5.000 7.062 6.901 7.167 2.167 7 8 [****-*+*] 1
194 1 9 C H3' 1 9 C H5 7.000 . 7.000 4.477 4.467 4.508 . 0 0 "[ . ]" 1
195 1 9 C H2' 1 10 C H5 6.000 . 6.000 3.102 2.561 3.771 . 0 0 "[ . ]" 1
196 1 10 C H3' 1 11 C H5 6.000 . 6.000 3.891 3.351 4.668 . 0 0 "[ . ]" 1
197 1 13 G HO2' 1 14 U H5 6.000 . 6.000 4.883 4.300 5.468 . 0 0 "[ . ]" 1
198 1 13 G H3' 1 14 U H5 6.000 . 6.000 3.672 3.596 3.702 . 0 0 "[ . ]" 1
199 1 15 C HO2' 1 16 U H5 6.000 . 6.000 5.925 5.579 6.260 0.260 1 0 "[ . ]" 1
200 1 15 C H3' 1 16 U H5 6.000 . 6.000 3.157 2.966 3.296 . 0 0 "[ . ]" 1
201 1 16 U H5 1 16 U HO2' 5.000 . 5.000 6.990 6.868 7.162 2.162 5 8 [*-**+***] 1
202 1 16 U H3' 1 16 U H5 6.000 . 6.000 4.453 4.422 4.485 . 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 32
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 14.423
_Distance_constraint_stats_list.Viol_max 0.126
_Distance_constraint_stats_list.Viol_rms 0.0224
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0440
_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 0.011 0.005 2 0 "[ . ]"
1 2 G 0.008 0.007 3 0 "[ . ]"
1 3 G 0.087 0.016 8 0 "[ . ]"
1 4 A 0.040 0.018 6 0 "[ . ]"
1 5 C 0.417 0.061 1 0 "[ . ]"
1 6 C 1.240 0.126 8 0 "[ . ]"
1 12 G 1.240 0.126 8 0 "[ . ]"
1 13 G 0.417 0.061 1 0 "[ . ]"
1 14 U 0.040 0.018 6 0 "[ . ]"
1 15 C 0.087 0.016 8 0 "[ . ]"
1 16 U 0.008 0.007 3 0 "[ . ]"
1 17 C 0.011 0.005 2 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 G O6 1 17 C H41 2.000 . 2.400 2.259 1.987 2.405 0.005 2 0 "[ . ]" 2
2 1 1 G O6 1 17 C N4 2.900 2.600 3.500 2.960 2.669 3.202 . 0 0 "[ . ]" 2
3 1 1 G H1 1 17 C N3 2.000 . 2.400 2.146 2.062 2.279 . 0 0 "[ . ]" 2
4 1 1 G N1 1 17 C N3 2.900 2.600 3.500 3.145 3.051 3.277 . 0 0 "[ . ]" 2
5 1 1 G H21 1 17 C O2 2.000 . 2.400 2.217 1.826 2.378 . 0 0 "[ . ]" 2
6 1 1 G N2 1 17 C O2 2.900 2.600 3.500 3.205 2.824 3.382 . 0 0 "[ . ]" 2
7 1 2 G O6 1 16 U H3 2.000 . 2.400 1.911 1.793 2.324 0.007 3 0 "[ . ]" 2
8 1 2 G O6 1 16 U N3 2.900 2.600 3.500 2.837 2.655 3.272 . 0 0 "[ . ]" 2
9 1 2 G H1 1 16 U O2 2.000 . 2.400 1.985 1.806 2.209 . 0 0 "[ . ]" 2
10 1 2 G N1 1 16 U O2 2.900 2.600 3.500 2.909 2.798 3.075 . 0 0 "[ . ]" 2
11 1 3 G O6 1 15 C H41 2.000 . 2.400 2.411 2.405 2.416 0.016 8 0 "[ . ]" 2
12 1 3 G O6 1 15 C N4 2.900 2.600 3.500 3.327 3.306 3.358 . 0 0 "[ . ]" 2
13 1 3 G H1 1 15 C N3 2.000 . 2.400 2.216 2.071 2.323 . 0 0 "[ . ]" 2
14 1 3 G N1 1 15 C N3 2.900 2.600 3.500 3.188 3.061 3.275 . 0 0 "[ . ]" 2
15 1 3 G H21 1 15 C O2 2.000 . 2.400 2.094 1.815 2.275 . 0 0 "[ . ]" 2
16 1 3 G N2 1 15 C O2 2.900 2.600 3.500 3.037 2.759 3.207 . 0 0 "[ . ]" 2
17 1 4 A H61 1 14 U O4 2.000 . 2.400 1.813 1.788 1.832 0.012 6 0 "[ . ]" 2
18 1 4 A N6 1 14 U O4 2.900 2.600 3.500 2.714 2.675 2.754 . 0 0 "[ . ]" 2
19 1 4 A N1 1 14 U H3 2.000 . 2.400 2.366 2.198 2.418 0.018 6 0 "[ . ]" 2
20 1 4 A N1 1 14 U N3 2.900 2.600 3.500 3.185 3.081 3.211 . 0 0 "[ . ]" 2
21 1 5 C H41 1 13 G O6 2.000 . 2.400 2.452 2.445 2.461 0.061 1 0 "[ . ]" 2
22 1 5 C N4 1 13 G O6 2.900 2.600 3.500 3.450 3.444 3.461 . 0 0 "[ . ]" 2
23 1 5 C N3 1 13 G H1 2.000 . 2.400 2.160 2.155 2.166 . 0 0 "[ . ]" 2
24 1 5 C N3 1 13 G N1 2.900 2.600 3.500 3.069 3.064 3.074 . 0 0 "[ . ]" 2
25 1 5 C O2 1 13 G H21 2.000 . 2.400 1.845 1.819 1.863 . 0 0 "[ . ]" 2
26 1 5 C O2 1 13 G N2 2.900 2.600 3.500 2.642 2.623 2.661 . 0 0 "[ . ]" 2
27 1 6 C H41 1 12 G O6 2.000 . 2.400 1.757 1.749 1.770 0.051 1 0 "[ . ]" 2
28 1 6 C N4 1 12 G O6 2.900 2.600 3.500 2.651 2.626 2.671 . 0 0 "[ . ]" 2
29 1 6 C N3 1 12 G H1 2.000 . 2.400 2.211 2.188 2.217 . 0 0 "[ . ]" 2
30 1 6 C N3 1 12 G N1 2.900 2.600 3.500 3.079 3.067 3.085 . 0 0 "[ . ]" 2
31 1 6 C O2 1 12 G H21 2.000 . 2.400 2.512 2.499 2.526 0.126 8 0 "[ . ]" 2
32 1 6 C O2 1 12 G N2 2.900 2.600 3.500 3.445 3.437 3.456 . 0 0 "[ . ]" 2
stop_
save_