Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446912 | 2koc RC | 5705 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2koc
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 251
_Distance_constraint_stats_list.Viol_count 498
_Distance_constraint_stats_list.Viol_total 1293.272
_Distance_constraint_stats_list.Viol_max 0.994
_Distance_constraint_stats_list.Viol_rms 0.0557
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0129
_Distance_constraint_stats_list.Viol_average_violations_only 0.1298
_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 0.987 0.219 2 0 "[ . 1 . 2]"
1 2 G 11.935 0.994 6 3 "[* .+ 1 -. 2]"
1 3 C 2.864 0.192 11 0 "[ . 1 . 2]"
1 4 A 17.960 0.445 20 0 "[ . 1 . 2]"
1 5 C 19.160 0.445 20 0 "[ . 1 . 2]"
1 6 U 0.336 0.065 10 0 "[ . 1 . 2]"
1 7 U 0.178 0.065 10 0 "[ . 1 . 2]"
1 8 C 9.706 0.324 5 0 "[ . 1 . 2]"
1 9 G 5.120 0.241 3 0 "[ . 1 . 2]"
1 10 G 12.638 0.352 17 0 "[ . 1 . 2]"
1 11 U 0.556 0.053 20 0 "[ . 1 . 2]"
1 12 G 1.876 0.104 3 0 "[ . 1 . 2]"
1 13 C 0.098 0.036 2 0 "[ . 1 . 2]"
1 14 C 1.115 0.097 2 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 14 C H42 4.780 2.490 6.500 4.026 3.762 4.307 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1 1 14 C H41 3.880 2.370 5.390 2.536 2.337 2.824 0.033 9 0 "[ . 1 . 2]" 1
3 1 1 G H1' 1 1 G H4' 3.070 2.130 4.010 3.476 3.336 3.553 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H1' 1 1 G H8 3.440 2.260 4.620 3.701 3.653 3.767 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H2' 1 1 G H8 3.370 . 4.790 4.153 3.825 4.267 . 0 0 "[ . 1 . 2]" 1
6 1 1 G H3' 1 1 G H8 3.620 2.310 4.930 3.147 2.963 3.726 . 0 0 "[ . 1 . 2]" 1
7 1 1 G H5'' 1 1 G H8 3.150 2.160 4.140 3.984 3.788 4.179 0.039 10 0 "[ . 1 . 2]" 1
8 1 2 G H1 1 12 G H1 3.640 . 5.300 3.672 3.335 4.030 . 0 0 "[ . 1 . 2]" 1
9 1 2 G H1 1 13 C H42 4.050 2.410 5.690 3.942 3.698 4.131 . 0 0 "[ . 1 . 2]" 1
10 1 2 G H1 1 14 C H41 3.840 . 5.680 4.214 3.298 5.023 . 0 0 "[ . 1 . 2]" 1
11 1 2 G H1 1 14 C H5 3.940 . 5.880 5.757 5.283 5.949 0.069 2 0 "[ . 1 . 2]" 1
12 1 2 G H1 1 3 C H41 2.490 . 3.110 3.253 3.220 3.302 0.192 11 0 "[ . 1 . 2]" 1
13 1 2 G H1' 1 2 G H2' 2.300 . 2.830 2.797 2.767 2.814 . 0 0 "[ . 1 . 2]" 1
14 1 1 G H1' 1 2 G H8 3.520 2.280 4.760 4.738 4.619 4.808 0.048 1 0 "[ . 1 . 2]" 1
15 1 1 G H3' 1 2 G H8 2.400 . 2.980 3.002 2.918 3.199 0.219 2 0 "[ . 1 . 2]" 1
16 1 2 G H1' 1 2 G H8 3.430 . 4.900 3.665 3.644 3.706 . 0 0 "[ . 1 . 2]" 1
17 1 2 G H3' 1 2 G H8 2.470 . 3.080 2.998 2.855 3.171 0.091 1 0 "[ . 1 . 2]" 1
18 1 2 G Q5' 1 2 G H8 2.110 . 2.550 2.920 2.777 3.544 0.994 6 3 "[* .+ 1 -. 2]" 1
19 1 2 G H1' 1 2 G HO2' 2.930 2.070 3.790 3.303 2.867 3.454 . 0 0 "[ . 1 . 2]" 1
20 1 2 G H2' 1 2 G HO2' 2.210 . 2.700 2.610 2.243 2.804 0.104 1 0 "[ . 1 . 2]" 1
21 1 3 C H1' 1 3 C H4' 2.840 . 3.850 3.265 3.184 3.324 . 0 0 "[ . 1 . 2]" 1
22 1 2 G H1 1 3 C H42 4.350 . 6.500 3.972 3.604 4.186 . 0 0 "[ . 1 . 2]" 1
23 1 3 C H42 1 3 C H5 2.320 . 2.860 2.430 2.408 2.453 . 0 0 "[ . 1 . 2]" 1
24 1 3 C H42 1 4 A H62 4.060 . 6.120 5.043 4.764 5.515 . 0 0 "[ . 1 . 2]" 1
25 1 3 C H41 1 3 C H42 1.750 . 2.200 1.751 1.750 1.755 . 0 0 "[ . 1 . 2]" 1
26 1 3 C H41 1 3 C H5 3.560 2.290 4.830 3.685 3.667 3.696 . 0 0 "[ . 1 . 2]" 1
27 1 3 C H41 1 4 A H62 3.620 . 5.260 4.852 4.482 5.199 . 0 0 "[ . 1 . 2]" 1
28 1 3 C H41 1 4 A H61 3.730 . 5.470 4.835 4.476 5.425 . 0 0 "[ . 1 . 2]" 1
29 1 2 G H1' 1 3 C H6 4.670 . 6.500 5.024 4.933 5.264 . 0 0 "[ . 1 . 2]" 1
30 1 2 G HO2' 1 3 C H6 4.530 . 6.500 4.361 3.557 4.941 . 0 0 "[ . 1 . 2]" 1
31 1 3 C H1' 1 3 C H6 3.360 2.230 4.490 3.595 3.580 3.607 . 0 0 "[ . 1 . 2]" 1
32 1 3 C H5 1 3 C H6 2.370 . 2.930 2.431 2.422 2.440 . 0 0 "[ . 1 . 2]" 1
33 1 3 C H1' 1 3 C HO2' 3.060 2.120 4.000 3.286 2.802 3.379 . 0 0 "[ . 1 . 2]" 1
34 1 3 C H2' 1 3 C HO2' 2.580 . 3.240 2.327 2.105 2.808 . 0 0 "[ . 1 . 2]" 1
35 1 3 C H3' 1 3 C HO2' 3.190 2.170 4.210 3.468 3.289 3.818 . 0 0 "[ . 1 . 2]" 1
36 1 4 A H1' 1 5 C H1' 3.060 2.120 4.000 4.398 4.358 4.445 0.445 20 0 "[ . 1 . 2]" 1
37 1 4 A H2 1 12 G H1' 3.270 2.200 4.340 4.370 4.325 4.416 0.076 14 0 "[ . 1 . 2]" 1
38 1 4 A H1' 1 4 A H2 4.420 . 6.500 4.620 4.593 4.651 . 0 0 "[ . 1 . 2]" 1
39 1 4 A H2 1 5 C H1' 3.100 2.140 4.060 3.659 3.440 3.971 . 0 0 "[ . 1 . 2]" 1
40 1 4 A H1' 1 4 A H3' 2.790 . 3.760 3.869 3.843 3.891 0.131 1 0 "[ . 1 . 2]" 1
41 1 4 A H61 1 4 A H62 2.320 . 2.860 1.752 1.749 1.754 0.031 14 0 "[ . 1 . 2]" 1
42 1 3 C HO2' 1 4 A H8 4.680 . 6.500 3.430 3.009 4.570 . 0 0 "[ . 1 . 2]" 1
43 1 4 A H1' 1 4 A H8 3.320 2.210 4.430 3.801 3.780 3.817 . 0 0 "[ . 1 . 2]" 1
44 1 4 A H3' 1 4 A H8 2.420 . 3.010 2.743 2.664 2.842 . 0 0 "[ . 1 . 2]" 1
45 1 4 A H5'' 1 4 A H8 2.970 2.090 3.850 3.682 3.571 3.917 0.067 11 0 "[ . 1 . 2]" 1
46 1 4 A H8 1 5 C H5 3.810 . 5.630 3.993 3.764 4.271 . 0 0 "[ . 1 . 2]" 1
47 1 4 A H8 1 5 C H6 4.880 . 6.500 4.502 4.344 4.739 . 0 0 "[ . 1 . 2]" 1
48 1 4 A H1' 1 4 A HO2' 2.820 2.020 3.620 3.370 3.265 3.432 . 0 0 "[ . 1 . 2]" 1
49 1 4 A H3' 1 4 A HO2' 2.560 . 3.220 3.317 3.293 3.364 0.144 5 0 "[ . 1 . 2]" 1
50 1 5 C H1' 1 5 C H2' 2.940 2.070 3.810 2.815 2.805 2.829 . 0 0 "[ . 1 . 2]" 1
51 1 5 C H1' 1 5 C H3' 3.770 . 5.550 3.850 3.813 3.885 . 0 0 "[ . 1 . 2]" 1
52 1 5 C H3' 1 6 U H5 3.170 . 4.430 3.267 3.055 3.561 . 0 0 "[ . 1 . 2]" 1
53 1 5 C H1' 1 5 C H4' 3.300 . 4.660 3.369 3.346 3.384 . 0 0 "[ . 1 . 2]" 1
54 1 5 C H42 1 5 C H5 2.400 . 2.980 2.435 2.414 2.457 . 0 0 "[ . 1 . 2]" 1
55 1 5 C H42 1 6 U H5 3.750 . 5.510 4.603 4.363 4.923 . 0 0 "[ . 1 . 2]" 1
56 1 4 A H62 1 5 C H41 3.720 . 5.450 3.505 3.151 3.900 . 0 0 "[ . 1 . 2]" 1
57 1 4 A H61 1 5 C H41 3.750 . 5.500 3.699 3.465 3.951 . 0 0 "[ . 1 . 2]" 1
58 1 5 C H41 1 5 C H42 1.800 . 2.200 1.751 1.749 1.754 . 0 0 "[ . 1 . 2]" 1
59 1 5 C H41 1 5 C H5 3.510 2.280 4.740 3.687 3.677 3.701 . 0 0 "[ . 1 . 2]" 1
60 1 5 C H41 1 6 U H5 4.370 . 6.500 5.048 4.739 5.354 . 0 0 "[ . 1 . 2]" 1
61 1 4 A H1' 1 5 C H6 4.990 . 6.500 4.714 4.633 4.803 . 0 0 "[ . 1 . 2]" 1
62 1 4 A H3' 1 5 C H6 2.230 . 2.730 2.958 2.875 3.025 0.295 15 0 "[ . 1 . 2]" 1
63 1 4 A HO2' 1 5 C H6 4.930 . 6.500 3.941 3.730 4.184 . 0 0 "[ . 1 . 2]" 1
64 1 5 C H1' 1 5 C H6 3.510 2.280 4.740 3.516 3.496 3.533 . 0 0 "[ . 1 . 2]" 1
65 1 5 C H2' 1 5 C H6 3.340 2.220 4.460 4.024 3.947 4.080 . 0 0 "[ . 1 . 2]" 1
66 1 5 C H3' 1 5 C H6 2.350 . 2.900 3.066 2.983 3.124 0.224 20 0 "[ . 1 . 2]" 1
67 1 5 C H5 1 5 C H6 2.350 . 2.900 2.434 2.427 2.441 . 0 0 "[ . 1 . 2]" 1
68 1 5 C H5' 1 5 C H6 3.070 2.120 4.020 4.003 3.947 4.043 0.023 7 0 "[ . 1 . 2]" 1
69 1 5 C H5'' 1 5 C H6 2.810 2.020 3.600 3.754 3.730 3.785 0.185 20 0 "[ . 1 . 2]" 1
70 1 5 C H6 1 6 U H5 3.500 2.280 4.720 3.818 3.526 4.150 . 0 0 "[ . 1 . 2]" 1
71 1 5 C H2' 1 5 C HO2' 2.510 . 3.140 2.583 2.103 2.764 . 0 0 "[ . 1 . 2]" 1
72 1 5 C H3' 1 5 C HO2' 4.580 . 6.500 3.379 3.328 3.873 . 0 0 "[ . 1 . 2]" 1
73 1 5 C HO2' 1 6 U H5' 3.000 2.100 3.900 3.142 2.621 3.751 . 0 0 "[ . 1 . 2]" 1
74 1 5 C HO2' 1 6 U H5'' 4.930 . 6.500 4.710 4.054 5.331 . 0 0 "[ . 1 . 2]" 1
75 1 6 U H1' 1 6 U H3' 3.420 . 4.880 3.864 3.808 3.895 . 0 0 "[ . 1 . 2]" 1
76 1 6 U H1' 1 6 U H4' 2.670 . 3.560 3.279 3.219 3.368 . 0 0 "[ . 1 . 2]" 1
77 1 6 U H1' 1 6 U H2' 2.550 . 3.200 2.822 2.799 2.847 . 0 0 "[ . 1 . 2]" 1
78 1 6 U H2' 1 8 C H5 2.460 . 3.070 2.726 2.504 3.094 0.024 3 0 "[ . 1 . 2]" 1
79 1 6 U H2' 1 6 U H3' 2.600 . 3.280 2.407 2.391 2.432 . 0 0 "[ . 1 . 2]" 1
80 1 6 U H3' 1 6 U H5 3.570 . 5.160 4.755 4.506 5.052 . 0 0 "[ . 1 . 2]" 1
81 1 6 U H3' 1 8 C H5 3.270 2.200 4.340 3.797 3.517 3.998 . 0 0 "[ . 1 . 2]" 1
82 1 6 U H2' 1 6 U H4' 3.330 . 4.710 3.770 3.719 3.807 . 0 0 "[ . 1 . 2]" 1
83 1 5 C H2' 1 6 U H6 2.300 . 2.830 2.670 2.416 2.867 0.037 17 0 "[ . 1 . 2]" 1
84 1 5 C H3' 1 6 U H6 2.530 . 3.170 2.759 2.554 3.039 . 0 0 "[ . 1 . 2]" 1
85 1 5 C H5 1 6 U H6 4.530 . 6.500 5.443 5.114 5.713 . 0 0 "[ . 1 . 2]" 1
86 1 5 C H6 1 6 U H6 4.100 . 6.200 4.749 4.457 4.981 . 0 0 "[ . 1 . 2]" 1
87 1 5 C HO2' 1 6 U H6 4.160 . 6.320 4.693 4.343 4.954 . 0 0 "[ . 1 . 2]" 1
88 1 6 U H2' 1 6 U H6 3.300 2.210 4.390 3.860 3.681 4.073 . 0 0 "[ . 1 . 2]" 1
89 1 6 U H5 1 6 U H6 2.230 . 2.730 2.399 2.389 2.412 . 0 0 "[ . 1 . 2]" 1
90 1 6 U H6 1 6 U HO2' 5.040 . 6.500 5.285 5.130 5.430 . 0 0 "[ . 1 . 2]" 1
91 1 6 U H6 1 8 C H41 4.290 . 6.500 3.893 3.416 4.687 . 0 0 "[ . 1 . 2]" 1
92 1 6 U H6 1 8 C H42 4.070 . 6.140 4.290 3.912 5.006 . 0 0 "[ . 1 . 2]" 1
93 1 6 U H1' 1 6 U HO2' 2.310 . 2.840 2.501 2.229 2.761 . 0 0 "[ . 1 . 2]" 1
94 1 6 U H2' 1 6 U HO2' 2.130 . 2.590 2.257 2.155 2.399 . 0 0 "[ . 1 . 2]" 1
95 1 6 U H3' 1 6 U HO2' 3.480 2.270 4.690 4.057 3.984 4.095 . 0 0 "[ . 1 . 2]" 1
96 1 6 U H4' 1 6 U HO2' 3.060 2.130 3.990 3.640 3.384 3.822 . 0 0 "[ . 1 . 2]" 1
97 1 6 U H5' 1 6 U HO2' 4.490 . 6.500 5.810 5.564 5.970 . 0 0 "[ . 1 . 2]" 1
98 1 6 U HO2' 1 7 U H1' 4.150 . 6.310 5.644 5.484 5.901 . 0 0 "[ . 1 . 2]" 1
99 1 6 U HO2' 1 7 U H2' 2.450 . 3.050 2.658 2.456 2.858 . 0 0 "[ . 1 . 2]" 1
100 1 6 U HO2' 1 7 U H5 4.480 . 6.500 4.476 4.137 5.047 . 0 0 "[ . 1 . 2]" 1
101 1 6 U HO2' 1 7 U H6 3.250 2.190 4.310 3.422 3.145 3.807 . 0 0 "[ . 1 . 2]" 1
102 1 7 U H1' 1 7 U H4' 2.830 2.030 3.630 3.189 3.128 3.260 . 0 0 "[ . 1 . 2]" 1
103 1 7 U H1' 1 7 U H2' 2.810 2.020 3.600 3.066 3.048 3.083 . 0 0 "[ . 1 . 2]" 1
104 1 7 U H2' 1 7 U H5 4.240 . 6.490 4.444 4.375 4.530 . 0 0 "[ . 1 . 2]" 1
105 1 6 U H4' 1 7 U H5 2.640 . 3.340 3.083 2.422 3.405 0.065 10 0 "[ . 1 . 2]" 1
106 1 6 U H2' 1 7 U H6 3.670 2.330 5.010 4.224 3.953 4.471 . 0 0 "[ . 1 . 2]" 1
107 1 7 U H1' 1 7 U H6 3.170 2.170 4.170 3.710 3.691 3.728 . 0 0 "[ . 1 . 2]" 1
108 1 7 U H2' 1 7 U H6 2.140 . 2.600 2.456 2.321 2.592 . 0 0 "[ . 1 . 2]" 1
109 1 7 U H3' 1 7 U H6 3.520 2.280 4.760 4.166 4.025 4.291 . 0 0 "[ . 1 . 2]" 1
110 1 7 U H4' 1 7 U H6 3.810 . 5.620 4.510 4.434 4.602 . 0 0 "[ . 1 . 2]" 1
111 1 7 U H5 1 7 U H6 2.240 . 2.740 2.401 2.391 2.407 . 0 0 "[ . 1 . 2]" 1
112 1 7 U H5' 1 7 U H6 3.330 2.220 4.440 3.875 3.675 4.077 . 0 0 "[ . 1 . 2]" 1
113 1 8 C H1' 1 8 C H4' 2.820 2.020 3.620 3.231 3.077 3.406 . 0 0 "[ . 1 . 2]" 1
114 1 8 C H1' 1 8 C H2' 2.730 . 3.470 3.082 3.069 3.093 . 0 0 "[ . 1 . 2]" 1
115 1 8 C H2' 1 8 C H4' 3.720 . 5.450 3.829 3.773 3.889 . 0 0 "[ . 1 . 2]" 1
116 1 8 C H2' 1 8 C H5' 4.550 . 6.500 4.195 4.033 4.465 . 0 0 "[ . 1 . 2]" 1
117 1 8 C H2' 1 8 C H5'' 3.710 . 5.430 3.686 3.391 3.959 . 0 0 "[ . 1 . 2]" 1
118 1 8 C H3' 1 8 C H4' 2.650 . 3.350 2.713 2.688 2.754 . 0 0 "[ . 1 . 2]" 1
119 1 8 C H3' 1 8 C H5' 3.860 . 5.730 3.679 3.596 3.745 . 0 0 "[ . 1 . 2]" 1
120 1 8 C H3' 1 8 C H5'' 2.510 . 3.140 2.446 2.304 2.624 . 0 0 "[ . 1 . 2]" 1
121 1 8 C H4' 1 8 C H5' 2.350 . 2.900 2.372 2.265 2.465 . 0 0 "[ . 1 . 2]" 1
122 1 8 C H4' 1 8 C H5'' 2.270 . 2.780 2.478 2.370 2.624 . 0 0 "[ . 1 . 2]" 1
123 1 6 U H2' 1 8 C H41 3.200 . 4.480 3.657 3.341 3.842 . 0 0 "[ . 1 . 2]" 1
124 1 6 U H3' 1 8 C H41 2.960 2.080 3.840 3.526 3.230 3.647 . 0 0 "[ . 1 . 2]" 1
125 1 6 U H5 1 8 C H41 4.330 . 6.500 3.697 3.324 4.691 . 0 0 "[ . 1 . 2]" 1
126 1 8 C H41 1 8 C H5 2.520 . 3.310 3.625 3.618 3.634 0.324 5 0 "[ . 1 . 2]" 1
127 1 6 U H2' 1 8 C H42 3.120 2.150 4.090 2.924 2.604 3.184 . 0 0 "[ . 1 . 2]" 1
128 1 6 U H3' 1 8 C H42 2.780 2.010 3.550 2.600 2.414 2.716 . 0 0 "[ . 1 . 2]" 1
129 1 7 U H5'' 1 8 C H42 4.980 . 6.500 4.211 3.916 4.371 . 0 0 "[ . 1 . 2]" 1
130 1 8 C H41 1 8 C H42 1.770 . 2.200 1.745 1.742 1.748 . 0 0 "[ . 1 . 2]" 1
131 1 8 C H42 1 8 C H5 2.680 . 3.400 2.366 2.355 2.382 . 0 0 "[ . 1 . 2]" 1
132 1 6 U HO2' 1 8 C H5 4.080 . 6.160 4.215 3.950 4.604 . 0 0 "[ . 1 . 2]" 1
133 1 7 U H3' 1 8 C H5 3.850 . 5.700 3.056 2.560 3.475 . 0 0 "[ . 1 . 2]" 1
134 1 7 U H5' 1 8 C H5 3.450 2.260 4.640 3.686 3.475 3.900 . 0 0 "[ . 1 . 2]" 1
135 1 7 U H5'' 1 8 C H5 2.290 . 2.820 2.354 2.195 2.558 . 0 0 "[ . 1 . 2]" 1
136 1 8 C H2' 1 8 C H5 3.330 2.220 4.440 4.515 4.479 4.551 0.111 19 0 "[ . 1 . 2]" 1
137 1 8 C H5' 1 8 C H5'' 2.050 . 2.470 1.773 1.769 1.776 . 0 0 "[ . 1 . 2]" 1
138 1 6 U H2' 1 8 C H6 3.490 2.270 4.710 3.957 3.787 4.252 . 0 0 "[ . 1 . 2]" 1
139 1 6 U HO2' 1 8 C H6 4.770 . 6.500 4.502 4.279 4.814 . 0 0 "[ . 1 . 2]" 1
140 1 8 C H1' 1 8 C H6 3.070 2.130 4.010 3.652 3.598 3.690 . 0 0 "[ . 1 . 2]" 1
141 1 8 C H2' 1 8 C H6 2.170 . 2.640 2.580 2.434 2.742 0.102 8 0 "[ . 1 . 2]" 1
142 1 8 C H41 1 8 C H6 5.330 . 6.500 5.335 5.326 5.345 . 0 0 "[ . 1 . 2]" 1
143 1 8 C H5 1 8 C H6 2.380 . 2.950 2.444 2.431 2.460 . 0 0 "[ . 1 . 2]" 1
144 1 8 C H5' 1 8 C H6 3.210 2.180 4.240 3.687 3.035 4.127 . 0 0 "[ . 1 . 2]" 1
145 1 8 C H5'' 1 8 C H6 3.640 2.320 4.960 4.218 4.015 4.310 . 0 0 "[ . 1 . 2]" 1
146 1 9 G H1 1 10 G H8 4.430 . 6.500 5.731 5.531 6.066 . 0 0 "[ . 1 . 2]" 1
147 1 6 U H1' 1 9 G H1 2.920 2.070 3.770 3.464 3.201 3.762 . 0 0 "[ . 1 . 2]" 1
148 1 6 U H2' 1 9 G H1 3.140 2.150 4.130 3.544 3.326 3.829 . 0 0 "[ . 1 . 2]" 1
149 1 6 U HO2' 1 9 G H1 2.820 2.030 3.610 3.085 2.960 3.342 . 0 0 "[ . 1 . 2]" 1
150 1 7 U H2' 1 9 G H1 4.100 . 6.200 4.797 4.574 5.015 . 0 0 "[ . 1 . 2]" 1
151 1 8 C H1' 1 9 G H1 3.560 2.300 4.820 4.049 3.643 4.524 . 0 0 "[ . 1 . 2]" 1
152 1 8 C H42 1 9 G H1 3.940 . 5.880 5.883 5.449 6.121 0.241 3 0 "[ . 1 . 2]" 1
153 1 8 C H5 1 9 G H1 4.110 . 6.220 5.003 4.533 5.370 . 0 0 "[ . 1 . 2]" 1
154 1 8 C H6 1 9 G H1 3.750 2.340 5.160 4.256 3.868 4.595 . 0 0 "[ . 1 . 2]" 1
155 1 9 G H1' 1 9 G H2' 2.390 . 2.960 2.845 2.814 2.861 . 0 0 "[ . 1 . 2]" 1
156 1 9 G H1' 1 9 G H3' 3.590 . 5.200 3.895 3.851 3.934 . 0 0 "[ . 1 . 2]" 1
157 1 9 G H1' 1 9 G H4' 2.650 . 3.350 3.122 3.067 3.162 . 0 0 "[ . 1 . 2]" 1
158 1 9 G H2' 1 9 G H3' 2.270 . 2.790 2.407 2.393 2.421 . 0 0 "[ . 1 . 2]" 1
159 1 8 C H4' 1 9 G H5' 4.430 . 6.500 4.048 3.779 4.290 . 0 0 "[ . 1 . 2]" 1
160 1 9 G H1' 1 9 G H5' 4.560 . 6.500 5.068 5.023 5.106 . 0 0 "[ . 1 . 2]" 1
161 1 9 G H3' 1 9 G H5' 2.950 2.080 3.820 3.192 2.938 3.343 . 0 0 "[ . 1 . 2]" 1
162 1 8 C H4' 1 9 G H5'' 2.370 . 2.930 2.667 2.325 2.940 0.010 5 0 "[ . 1 . 2]" 1
163 1 8 C H5' 1 9 G H5'' 5.000 . 6.500 4.922 4.629 5.173 . 0 0 "[ . 1 . 2]" 1
164 1 9 G H3' 1 9 G H5'' 2.260 . 2.770 2.430 2.350 2.613 . 0 0 "[ . 1 . 2]" 1
165 1 8 C H4' 1 9 G H8 4.310 . 6.500 4.859 4.483 5.207 . 0 0 "[ . 1 . 2]" 1
166 1 8 C H5'' 1 9 G H8 3.390 . 4.830 4.865 4.827 4.902 0.072 12 0 "[ . 1 . 2]" 1
167 1 9 G H1' 1 9 G H8 2.110 . 2.560 2.395 2.358 2.443 . 0 0 "[ . 1 . 2]" 1
168 1 9 G H2' 1 9 G H8 3.560 . 5.150 3.902 3.760 4.036 . 0 0 "[ . 1 . 2]" 1
169 1 9 G H3' 1 9 G H8 4.960 . 6.500 5.383 5.275 5.488 . 0 0 "[ . 1 . 2]" 1
170 1 9 G H4' 1 9 G H8 3.810 2.360 5.260 5.435 5.400 5.469 0.209 14 0 "[ . 1 . 2]" 1
171 1 10 G H1 1 10 G H21 3.250 2.190 4.310 3.483 3.471 3.496 . 0 0 "[ . 1 . 2]" 1
172 1 10 G H1 1 10 G H22 2.520 . 3.160 2.224 2.203 2.245 . 0 0 "[ . 1 . 2]" 1
173 1 10 G H1 1 11 U H1' 4.330 . 6.500 5.668 5.081 6.077 . 0 0 "[ . 1 . 2]" 1
174 1 5 C H2' 1 10 G H1 3.540 . 5.110 4.892 4.564 5.066 . 0 0 "[ . 1 . 2]" 1
175 1 5 C H42 1 10 G H1 3.830 2.360 5.300 4.155 3.922 4.400 . 0 0 "[ . 1 . 2]" 1
176 1 5 C H41 1 10 G H1 2.480 . 3.100 2.634 2.380 2.934 . 0 0 "[ . 1 . 2]" 1
177 1 5 C H5 1 10 G H1 3.620 . 5.260 5.160 5.007 5.278 0.018 2 0 "[ . 1 . 2]" 1
178 1 6 U H1' 1 10 G H1 3.540 2.290 4.790 4.329 4.096 4.640 . 0 0 "[ . 1 . 2]" 1
179 1 9 G H1 1 10 G H1 3.660 . 5.340 5.093 4.694 5.319 . 0 0 "[ . 1 . 2]" 1
180 1 10 G H21 1 11 U H1' 3.620 . 5.260 3.850 3.247 4.334 . 0 0 "[ . 1 . 2]" 1
181 1 6 U H1' 1 10 G H21 3.680 . 5.370 3.157 2.782 3.587 . 0 0 "[ . 1 . 2]" 1
182 1 10 G H21 1 10 G H22 2.170 . 2.640 1.753 1.750 1.756 . 0 0 "[ . 1 . 2]" 1
183 1 10 G H22 1 11 U H1' 4.200 . 6.410 4.650 4.043 5.127 . 0 0 "[ . 1 . 2]" 1
184 1 5 C H41 1 10 G H22 5.050 . 6.500 4.683 4.428 5.022 . 0 0 "[ . 1 . 2]" 1
185 1 6 U H1' 1 10 G H22 3.410 2.250 4.570 3.259 3.018 3.659 . 0 0 "[ . 1 . 2]" 1
186 1 10 G H3' 1 10 G H8 2.580 . 3.250 2.520 2.441 2.585 . 0 0 "[ . 1 . 2]" 1
187 1 10 G H4' 1 10 G H8 2.940 2.080 3.800 4.003 3.982 4.042 0.242 17 0 "[ . 1 . 2]" 1
188 1 10 G H5'' 1 10 G H8 2.240 . 2.740 3.056 3.031 3.092 0.352 17 0 "[ . 1 . 2]" 1
189 1 9 G H2' 1 10 G H8 3.960 . 5.920 3.948 3.627 4.182 . 0 0 "[ . 1 . 2]" 1
190 1 9 G H3' 1 10 G H8 3.010 2.110 3.910 3.646 3.381 3.809 . 0 0 "[ . 1 . 2]" 1
191 1 10 G H2' 1 10 G HO2' 2.440 . 3.040 2.735 2.659 2.850 . 0 0 "[ . 1 . 2]" 1
192 1 10 G H5'' 1 10 G HO2' 3.170 2.160 4.180 4.282 4.252 4.313 0.133 17 0 "[ . 1 . 2]" 1
193 1 11 U H1' 1 11 U H2' 2.420 . 3.010 2.826 2.810 2.837 . 0 0 "[ . 1 . 2]" 1
194 1 10 G H1 1 11 U H3 3.670 . 5.360 3.857 3.547 4.052 . 0 0 "[ . 1 . 2]" 1
195 1 10 G H21 1 11 U H3 3.680 . 5.370 5.327 5.029 5.407 0.037 14 0 "[ . 1 . 2]" 1
196 1 11 U H1' 1 11 U H3 4.040 2.410 5.670 4.524 4.502 4.547 . 0 0 "[ . 1 . 2]" 1
197 1 11 U H3 1 11 U H6 4.040 2.400 5.680 4.766 4.760 4.771 . 0 0 "[ . 1 . 2]" 1
198 1 4 A H2 1 11 U H3 2.620 . 3.310 2.984 2.829 3.058 . 0 0 "[ . 1 . 2]" 1
199 1 4 A H62 1 11 U H3 3.940 2.390 5.490 3.736 3.618 3.899 . 0 0 "[ . 1 . 2]" 1
200 1 4 A H61 1 11 U H3 2.990 2.100 3.880 2.205 2.090 2.371 0.010 4 0 "[ . 1 . 2]" 1
201 1 5 C H41 1 11 U H3 4.410 . 6.500 4.901 4.416 5.181 . 0 0 "[ . 1 . 2]" 1
202 1 10 G H2' 1 11 U H6 2.190 . 2.670 2.468 2.297 2.688 0.018 4 0 "[ . 1 . 2]" 1
203 1 10 G H3' 1 11 U H6 2.870 2.050 3.690 3.378 3.205 3.587 . 0 0 "[ . 1 . 2]" 1
204 1 10 G HO2' 1 11 U H6 6.500 . 6.500 4.793 4.548 5.259 . 0 0 "[ . 1 . 2]" 1
205 1 11 U H1' 1 11 U H6 3.420 2.250 4.590 3.613 3.598 3.631 . 0 0 "[ . 1 . 2]" 1
206 1 11 U H3' 1 11 U H6 2.370 . 2.930 2.908 2.799 2.966 0.036 4 0 "[ . 1 . 2]" 1
207 1 11 U H5 1 11 U H6 2.610 . 3.290 2.392 2.382 2.399 . 0 0 "[ . 1 . 2]" 1
208 1 11 U H5'' 1 11 U H6 3.360 2.230 4.490 3.952 3.701 4.064 . 0 0 "[ . 1 . 2]" 1
209 1 11 U H1' 1 11 U HO2' 3.330 2.220 4.440 3.286 3.033 3.407 . 0 0 "[ . 1 . 2]" 1
210 1 11 U H2' 1 11 U HO2' 2.710 . 3.440 2.356 2.102 2.639 . 0 0 "[ . 1 . 2]" 1
211 1 12 G H1 1 12 G H21 3.840 2.360 5.320 3.473 3.462 3.482 . 0 0 "[ . 1 . 2]" 1
212 1 12 G H1 1 12 G H22 3.130 2.150 4.110 2.212 2.197 2.226 . 0 0 "[ . 1 . 2]" 1
213 1 3 C H42 1 12 G H1 4.130 2.420 5.840 3.702 3.536 3.903 . 0 0 "[ . 1 . 2]" 1
214 1 3 C H41 1 12 G H1 2.350 . 2.900 2.157 1.961 2.409 . 0 0 "[ . 1 . 2]" 1
215 1 11 U H2' 1 12 G H1' 3.120 . 4.330 4.140 3.887 4.383 0.053 20 0 "[ . 1 . 2]" 1
216 1 12 G H1' 1 12 G H2' 3.210 . 4.500 2.788 2.772 2.812 . 0 0 "[ . 1 . 2]" 1
217 1 11 U H2' 1 12 G H8 2.150 . 2.610 2.510 2.304 2.653 0.043 11 0 "[ . 1 . 2]" 1
218 1 11 U HO2' 1 12 G H8 4.540 . 6.500 3.885 3.274 4.452 . 0 0 "[ . 1 . 2]" 1
219 1 12 G H1' 1 12 G H8 3.370 2.240 4.500 3.781 3.771 3.790 . 0 0 "[ . 1 . 2]" 1
220 1 12 G H5'' 1 12 G H8 2.900 2.060 3.740 3.794 3.743 3.844 0.104 3 0 "[ . 1 . 2]" 1
221 1 12 G H1' 1 12 G HO2' 2.710 . 3.440 3.288 2.961 3.422 . 0 0 "[ . 1 . 2]" 1
222 1 12 G HO2' 1 13 C H5'' 4.750 . 6.500 4.034 3.560 4.982 . 0 0 "[ . 1 . 2]" 1
223 1 13 C H1' 1 13 C H5' 3.640 . 5.300 4.722 4.661 4.788 . 0 0 "[ . 1 . 2]" 1
224 1 13 C H1' 1 13 C H2' 2.580 . 3.240 2.861 2.838 2.874 . 0 0 "[ . 1 . 2]" 1
225 1 13 C H2' 1 14 C H5 3.580 . 5.180 3.648 2.869 4.125 . 0 0 "[ . 1 . 2]" 1
226 1 13 C H1' 1 13 C H3' 3.440 . 4.920 3.917 3.880 3.942 . 0 0 "[ . 1 . 2]" 1
227 1 13 C H42 1 13 C H5 2.460 . 3.060 2.429 2.413 2.462 . 0 0 "[ . 1 . 2]" 1
228 1 13 C H42 1 14 C H5 4.190 . 6.380 5.212 4.790 5.772 . 0 0 "[ . 1 . 2]" 1
229 1 12 G HO2' 1 13 C H6 4.410 . 6.500 4.461 3.621 5.169 . 0 0 "[ . 1 . 2]" 1
230 1 13 C H1' 1 13 C H6 3.160 . 4.400 3.584 3.558 3.611 . 0 0 "[ . 1 . 2]" 1
231 1 13 C H42 1 13 C H6 4.560 . 6.500 4.635 4.618 4.667 . 0 0 "[ . 1 . 2]" 1
232 1 13 C H5 1 13 C H6 2.390 . 2.960 2.431 2.427 2.438 . 0 0 "[ . 1 . 2]" 1
233 1 13 C H1' 1 13 C HO2' 2.850 2.040 3.660 3.274 3.125 3.395 . 0 0 "[ . 1 . 2]" 1
234 1 13 C H2' 1 13 C HO2' 2.480 . 3.100 2.393 2.106 2.617 . 0 0 "[ . 1 . 2]" 1
235 1 13 C H3' 1 13 C HO2' 3.990 . 5.980 3.422 3.253 3.777 . 0 0 "[ . 1 . 2]" 1
236 1 13 C HO2' 1 14 C H5' 2.890 2.060 3.720 2.713 2.067 3.431 . 0 0 "[ . 1 . 2]" 1
237 1 13 C HO2' 1 14 C H5'' 4.880 . 6.500 4.118 3.604 4.685 . 0 0 "[ . 1 . 2]" 1
238 1 14 C H1' 1 14 C H2' 2.560 . 3.220 2.889 2.858 2.909 . 0 0 "[ . 1 . 2]" 1
239 1 14 C H1' 1 14 C H3' 3.480 . 5.000 3.945 3.916 3.975 . 0 0 "[ . 1 . 2]" 1
240 1 14 C H1' 1 14 C H4' 3.060 2.120 4.000 3.147 3.028 3.243 . 0 0 "[ . 1 . 2]" 1
241 1 13 C H5 1 14 C H42 4.020 . 6.040 4.049 3.378 4.881 . 0 0 "[ . 1 . 2]" 1
242 1 14 C H42 1 14 C H5 2.440 . 3.040 2.431 2.411 2.449 . 0 0 "[ . 1 . 2]" 1
243 1 14 C H41 1 14 C H42 1.840 . 2.200 1.752 1.749 1.758 . 0 0 "[ . 1 . 2]" 1
244 1 14 C H41 1 14 C H5 3.580 2.300 4.860 3.686 3.673 3.698 . 0 0 "[ . 1 . 2]" 1
245 1 13 C H2' 1 14 C H6 2.220 . 2.710 2.613 2.403 2.746 0.036 2 0 "[ . 1 . 2]" 1
246 1 13 C HO2' 1 14 C H6 4.340 . 6.500 4.080 3.094 4.744 . 0 0 "[ . 1 . 2]" 1
247 1 14 C H1' 1 14 C H6 3.250 2.200 4.300 3.638 3.591 3.672 . 0 0 "[ . 1 . 2]" 1
248 1 14 C H2' 1 14 C H6 2.710 . 3.440 3.385 3.135 3.485 0.045 2 0 "[ . 1 . 2]" 1
249 1 14 C H3' 1 14 C H6 2.360 . 2.920 2.896 2.746 3.017 0.097 2 0 "[ . 1 . 2]" 1
250 1 14 C H42 1 14 C H6 4.730 . 6.500 4.639 4.614 4.657 . 0 0 "[ . 1 . 2]" 1
251 1 14 C H5 1 14 C H6 2.330 . 2.870 2.435 2.428 2.444 . 0 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 8
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 5.192
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0288
_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 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 C 0.260 0.059 2 0 "[ . 1 . 2]"
1 4 A 0.260 0.059 2 0 "[ . 1 . 2]"
1 5 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 G 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 10 G H1' 1 11 U H6 2.180 . 2.770 2.462 2.293 2.680 . 0 0 "[ . 1 . 2]" 2
2 1 2 G H2' 1 3 C H6 1.970 . 2.360 2.151 2.040 2.284 . 0 0 "[ . 1 . 2]" 2
3 1 3 C H2' 1 4 A H8 2.110 . 2.560 2.517 2.323 2.619 0.059 2 0 "[ . 1 . 2]" 2
4 1 5 C H2' 1 6 U H1' 3.060 2.130 3.990 3.022 2.928 3.083 . 0 0 "[ . 1 . 2]" 2
5 1 2 G H2' 1 3 C H6 1.930 . 2.400 2.134 2.030 2.257 . 0 0 "[ . 1 . 2]" 2
6 1 3 C H1' 1 4 A H8 3.450 . 4.940 4.794 4.672 4.864 . 0 0 "[ . 1 . 2]" 2
7 1 5 C H2' 1 5 C H42 4.540 . 6.500 5.105 4.750 5.341 . 0 0 "[ . 1 . 2]" 2
8 1 3 C H1' 1 3 C H6 3.340 . 4.740 3.211 3.201 3.220 . 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 32
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 C 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 6 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 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 1 G N1 1 14 C N3 2.900 2.400 3.300 2.912 2.816 3.003 . 0 0 "[ . 1 . 2]" 3
2 1 1 G H1 1 14 C N3 1.900 . 2.300 1.912 1.805 2.043 . 0 0 "[ . 1 . 2]" 3
3 1 1 G O6 1 14 C N4 2.900 2.400 3.300 3.005 2.717 3.247 . 0 0 "[ . 1 . 2]" 3
4 1 1 G O6 1 14 C H41 1.900 . 2.300 2.042 1.717 2.259 . 0 0 "[ . 1 . 2]" 3
5 1 1 G N2 1 14 C O2 2.900 2.400 3.300 2.717 2.609 2.999 . 0 0 "[ . 1 . 2]" 3
6 1 1 G H22 1 14 C O2 1.900 . 2.300 1.722 1.598 1.992 . 0 0 "[ . 1 . 2]" 3
7 1 2 G N1 1 13 C N3 2.900 2.400 3.300 2.979 2.896 3.063 . 0 0 "[ . 1 . 2]" 3
8 1 2 G H1 1 13 C N3 1.900 . 2.300 1.978 1.892 2.089 . 0 0 "[ . 1 . 2]" 3
9 1 2 G O6 1 13 C N4 2.900 2.400 3.300 3.077 2.872 3.253 . 0 0 "[ . 1 . 2]" 3
10 1 2 G O6 1 13 C H41 1.900 . 2.300 2.067 1.859 2.242 . 0 0 "[ . 1 . 2]" 3
11 1 2 G N2 1 13 C O2 2.900 2.400 3.300 2.768 2.647 2.866 . 0 0 "[ . 1 . 2]" 3
12 1 2 G H22 1 13 C O2 1.900 . 2.300 1.776 1.648 1.867 . 0 0 "[ . 1 . 2]" 3
13 1 3 C N3 1 12 G N1 2.900 2.400 3.300 2.881 2.819 2.944 . 0 0 "[ . 1 . 2]" 3
14 1 3 C N3 1 12 G H1 1.900 . 2.300 1.878 1.805 1.958 . 0 0 "[ . 1 . 2]" 3
15 1 3 C N4 1 12 G O6 2.900 2.400 3.300 2.822 2.674 3.018 . 0 0 "[ . 1 . 2]" 3
16 1 3 C H41 1 12 G O6 1.900 . 2.300 1.848 1.712 2.048 . 0 0 "[ . 1 . 2]" 3
17 1 3 C O2 1 12 G N2 2.900 2.400 3.300 2.820 2.690 2.916 . 0 0 "[ . 1 . 2]" 3
18 1 3 C O2 1 12 G H22 1.900 . 2.300 1.832 1.704 1.937 . 0 0 "[ . 1 . 2]" 3
19 1 4 A N1 1 11 U N3 2.900 2.400 3.300 2.807 2.735 2.866 . 0 0 "[ . 1 . 2]" 3
20 1 4 A N1 1 11 U H3 1.900 . 2.300 1.823 1.748 1.889 . 0 0 "[ . 1 . 2]" 3
21 1 4 A N6 1 11 U O4 2.900 2.400 3.300 2.838 2.699 3.062 . 0 0 "[ . 1 . 2]" 3
22 1 4 A H61 1 11 U O4 1.900 . 2.300 1.830 1.698 2.052 . 0 0 "[ . 1 . 2]" 3
23 1 5 C N3 1 10 G N1 2.900 2.400 3.300 2.987 2.885 3.102 . 0 0 "[ . 1 . 2]" 3
24 1 5 C N3 1 10 G H1 1.900 . 2.300 1.979 1.877 2.093 . 0 0 "[ . 1 . 2]" 3
25 1 5 C N4 1 10 G O6 2.900 2.400 3.300 3.179 2.901 3.264 . 0 0 "[ . 1 . 2]" 3
26 1 5 C H41 1 10 G O6 1.900 . 2.300 2.174 1.891 2.259 . 0 0 "[ . 1 . 2]" 3
27 1 5 C O2 1 10 G N2 2.900 2.400 3.300 2.741 2.632 2.900 . 0 0 "[ . 1 . 2]" 3
28 1 5 C O2 1 10 G H22 1.900 . 2.300 1.740 1.629 1.899 . 0 0 "[ . 1 . 2]" 3
29 1 6 U O2' 1 9 G O6 2.900 2.400 3.300 2.622 2.510 2.736 . 0 0 "[ . 1 . 2]" 3
30 1 6 U HO2' 1 9 G O6 1.900 . 2.300 1.687 1.579 1.781 . 0 0 "[ . 1 . 2]" 3
31 1 6 U O2 1 9 G N1 2.900 2.400 3.300 2.738 2.668 2.883 . 0 0 "[ . 1 . 2]" 3
32 1 6 U O2 1 9 G H1 1.900 . 2.300 1.738 1.655 1.896 . 0 0 "[ . 1 . 2]" 3
stop_
save_