NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612643 |
2rvo   |
11607 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rvo
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 185
_Distance_constraint_stats_list.Viol_count 785
_Distance_constraint_stats_list.Viol_total 1009.174
_Distance_constraint_stats_list.Viol_max 0.481
_Distance_constraint_stats_list.Viol_rms 0.0870
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0451
_Distance_constraint_stats_list.Viol_average_violations_only 0.1169
_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 6.643 0.240 1 0 "[ . 1 ]"
1 2 G 6.219 0.226 8 0 "[ . 1 ]"
1 3 C 7.240 0.229 6 0 "[ . 1 ]"
1 4 G 16.865 0.481 5 0 "[ . 1 ]"
1 5 C 16.262 0.481 5 0 "[ . 1 ]"
1 6 U 7.483 0.348 4 0 "[ . 1 ]"
1 7 U 3.853 0.271 1 0 "[ . 1 ]"
1 8 U 1.104 0.107 4 0 "[ . 1 ]"
1 9 G 0.082 0.017 11 0 "[ . 1 ]"
1 10 A 0.996 0.144 7 0 "[ . 1 ]"
1 11 C 0.404 0.052 11 0 "[ . 1 ]"
1 12 A 5.359 0.232 10 0 "[ . 1 ]"
1 13 C 5.502 0.177 11 0 "[ . 1 ]"
1 14 A 7.360 0.216 11 0 "[ . 1 ]"
1 15 A 7.497 0.216 11 0 "[ . 1 ]"
1 16 U 4.429 0.243 11 0 "[ . 1 ]"
1 17 C 3.143 0.243 11 0 "[ . 1 ]"
1 18 U 1.758 0.207 4 0 "[ . 1 ]"
1 19 A 2.457 0.126 6 0 "[ . 1 ]"
1 20 C 2.970 0.129 6 0 "[ . 1 ]"
1 21 A 9.799 0.229 11 0 "[ . 1 ]"
1 22 U 6.821 0.229 11 0 "[ . 1 ]"
1 23 U 4.298 0.212 3 0 "[ . 1 ]"
1 24 G 2.052 0.108 4 0 "[ . 1 ]"
1 25 U 0.943 0.095 3 0 "[ . 1 ]"
1 26 A 4.699 0.133 10 0 "[ . 1 ]"
1 27 A 6.767 0.221 10 0 "[ . 1 ]"
1 28 A 4.905 0.187 10 0 "[ . 1 ]"
1 29 A 7.899 0.347 3 0 "[ . 1 ]"
1 30 G 7.098 0.460 7 0 "[ . 1 ]"
1 31 C 6.511 0.460 7 0 "[ . 1 ]"
1 32 G 1.064 0.098 8 0 "[ . 1 ]"
1 33 C 0.000 0.000 . 0 "[ . 1 ]"
1 34 C 0.000 0.000 . 0 "[ . 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 2 G H1' 3.660 3.160 5.660 4.381 4.329 4.853 . 0 0 "[ . 1 ]" 1
2 1 2 G H1' 1 3 C H5 3.590 3.090 5.590 4.529 4.513 4.537 . 0 0 "[ . 1 ]" 1
3 1 2 G H8 1 3 C H5 3.530 3.030 5.530 4.224 4.192 4.469 . 0 0 "[ . 1 ]" 1
4 1 5 C H1' 1 6 U H5 3.890 3.390 5.890 5.055 4.961 5.099 . 0 0 "[ . 1 ]" 1
5 1 5 C H6 1 6 U H5 3.550 3.050 4.440 3.567 3.438 3.607 . 0 0 "[ . 1 ]" 1
6 1 6 U H5 1 7 U H6 3.710 3.300 5.710 5.300 5.079 5.828 0.118 5 0 "[ . 1 ]" 1
7 1 5 C H5 1 6 U H6 3.630 3.130 5.630 5.547 5.520 5.576 . 0 0 "[ . 1 ]" 1
8 1 6 U H6 1 7 U H6 3.590 3.090 5.590 4.525 4.339 4.969 . 0 0 "[ . 1 ]" 1
9 1 7 U H6 1 8 U H6 3.620 3.120 5.620 5.357 4.644 5.675 0.055 1 0 "[ . 1 ]" 1
10 1 9 G H8 1 27 A H2 . 4.000 5.930 5.314 5.112 5.629 . 0 0 "[ . 1 ]" 1
11 1 11 C H1' 1 11 C H6 3.650 3.150 4.330 3.634 3.577 3.690 . 0 0 "[ . 1 ]" 1
12 1 10 A H2 1 11 C H5 3.620 3.120 5.620 5.495 4.075 5.645 0.025 1 0 "[ . 1 ]" 1
13 1 11 C H6 1 12 A H8 3.620 3.120 5.620 5.514 5.260 5.672 0.052 11 0 "[ . 1 ]" 1
14 1 10 A H2 1 12 A H1' 4.040 3.540 6.040 6.022 5.282 6.184 0.144 7 0 "[ . 1 ]" 1
15 1 12 A H1' 1 12 A H2 3.780 3.280 4.240 4.441 4.428 4.472 0.232 10 0 "[ . 1 ]" 1
16 1 12 A H1' 1 13 C H1' 3.960 3.460 5.960 4.970 4.702 5.212 . 0 0 "[ . 1 ]" 1
17 1 13 C H1' 1 14 A H1' 3.590 3.090 5.590 5.568 5.355 5.613 0.023 7 0 "[ . 1 ]" 1
18 1 12 A H8 1 13 C H5 3.800 3.300 4.380 3.708 3.518 4.151 . 0 0 "[ . 1 ]" 1
19 1 13 C H5 1 14 A H8 3.940 3.440 4.380 4.528 4.518 4.534 0.154 11 0 "[ . 1 ]" 1
20 1 14 A H1' 1 14 A H2 3.670 3.170 5.670 4.772 4.753 4.819 . 0 0 "[ . 1 ]" 1
21 1 19 A H1' 1 20 C H5 4.490 3.990 6.490 5.019 4.150 5.687 . 0 0 "[ . 1 ]" 1
22 1 19 A H1' 1 21 A H1' 3.680 3.180 5.680 3.906 3.657 4.282 . 0 0 "[ . 1 ]" 1
23 1 19 A H1' 1 21 A H8 3.820 3.320 4.270 4.301 4.260 4.349 0.079 6 0 "[ . 1 ]" 1
24 1 19 A H2 1 21 A H8 4.080 3.580 6.080 6.114 6.010 6.206 0.126 6 0 "[ . 1 ]" 1
25 1 18 U H1' 1 19 A H8 3.560 3.060 5.560 5.412 4.523 5.592 0.032 6 0 "[ . 1 ]" 1
26 1 19 A H8 1 21 A H8 4.050 3.550 6.050 6.019 5.784 6.096 0.046 5 0 "[ . 1 ]" 1
27 1 20 C H5 1 21 A H8 3.920 3.420 5.740 5.055 4.908 5.113 . 0 0 "[ . 1 ]" 1
28 1 19 A H8 1 21 A H2 4.700 4.200 6.700 4.623 4.416 4.947 . 0 0 "[ . 1 ]" 1
29 1 22 U H5 1 23 U H5 3.650 3.150 5.650 3.420 3.372 3.487 . 0 0 "[ . 1 ]" 1
30 1 22 U H5 1 23 U H6 4.400 3.900 6.400 4.992 4.936 5.048 . 0 0 "[ . 1 ]" 1
31 1 25 U H5 1 26 A H8 3.970 3.470 5.820 5.129 4.864 5.401 . 0 0 "[ . 1 ]" 1
32 1 25 U H1' 1 25 U H6 3.570 3.070 3.920 3.513 3.477 3.546 . 0 0 "[ . 1 ]" 1
33 1 25 U H6 1 26 A H8 3.570 3.070 5.570 3.959 3.774 4.194 . 0 0 "[ . 1 ]" 1
34 1 27 A H1' 1 27 A H2 3.720 3.220 4.410 4.588 4.575 4.631 0.221 10 0 "[ . 1 ]" 1
35 1 26 A H1' 1 27 A H8 . 4.000 4.410 4.487 4.446 4.521 0.111 7 0 "[ . 1 ]" 1
36 1 28 A H8 1 29 A H8 3.610 3.110 5.610 5.624 5.440 5.651 0.041 4 0 "[ . 1 ]" 1
37 1 29 A H1' 1 30 G H1' 3.540 3.040 5.540 5.337 5.297 5.352 . 0 0 "[ . 1 ]" 1
38 1 3 C H6 1 4 G H8 4.500 4.000 34.500 3.979 3.971 3.983 0.029 7 0 "[ . 1 ]" 1
39 1 7 U H5 1 8 U H5 4.500 4.000 34.500 4.623 3.960 5.090 0.040 4 0 "[ . 1 ]" 1
40 1 15 A H2 1 16 U H6 4.500 4.000 34.500 4.562 4.444 4.838 . 0 0 "[ . 1 ]" 1
41 1 17 C H1' 1 18 U H5 4.500 4.000 34.500 5.240 5.067 5.553 . 0 0 "[ . 1 ]" 1
42 1 18 U H5 1 19 A H8 4.500 4.000 34.500 7.985 7.636 8.564 . 0 0 "[ . 1 ]" 1
43 1 18 U H6 1 20 C H5 4.500 4.000 34.500 10.931 8.790 12.672 . 0 0 "[ . 1 ]" 1
44 1 18 U H5 1 20 C H6 4.500 4.000 34.500 13.065 11.242 14.435 . 0 0 "[ . 1 ]" 1
45 1 18 U H5 1 20 C H5 4.500 4.000 34.500 12.998 10.072 14.963 . 0 0 "[ . 1 ]" 1
46 1 18 U H5 1 21 A H1' 4.500 4.000 34.500 10.558 9.862 11.826 . 0 0 "[ . 1 ]" 1
47 1 18 U H5 1 21 A H2 4.500 4.000 34.500 7.421 6.835 8.519 . 0 0 "[ . 1 ]" 1
48 1 19 A H8 1 20 C H5 4.500 4.000 34.500 6.816 5.551 7.686 . 0 0 "[ . 1 ]" 1
49 1 20 C H5 1 21 A H2 4.500 4.000 34.500 8.420 7.677 9.376 . 0 0 "[ . 1 ]" 1
50 1 26 A H2 1 27 A H8 4.500 4.000 34.500 6.074 5.766 6.234 . 0 0 "[ . 1 ]" 1
51 1 8 U H5 1 9 G H8 4.500 4.000 34.500 4.402 4.131 4.701 . 0 0 "[ . 1 ]" 1
52 1 12 A H2 1 26 A H8 4.500 4.000 34.500 6.056 5.872 6.186 . 0 0 "[ . 1 ]" 1
53 1 15 A H2 1 17 C H5 4.500 4.000 34.500 6.367 5.938 7.022 . 0 0 "[ . 1 ]" 1
54 1 17 C H5 1 18 U H5 4.500 4.000 34.500 4.032 3.925 4.359 0.075 4 0 "[ . 1 ]" 1
55 1 17 C H1' 1 19 A H8 4.500 4.000 34.500 3.975 3.946 4.009 0.054 5 0 "[ . 1 ]" 1
56 1 17 C H6 1 21 A H2 4.500 4.000 34.500 4.709 4.462 5.402 . 0 0 "[ . 1 ]" 1
57 1 17 C H5 1 21 A H2 4.500 4.000 34.500 4.943 4.392 6.372 . 0 0 "[ . 1 ]" 1
58 1 18 U H1' 1 21 A H2 4.500 4.000 34.500 8.076 7.648 8.263 . 0 0 "[ . 1 ]" 1
59 1 18 U H6 1 21 A H2 4.500 4.000 34.500 6.113 5.614 7.190 . 0 0 "[ . 1 ]" 1
60 1 18 U H5 1 22 U H1' 4.500 4.000 34.500 9.346 8.141 11.752 . 0 0 "[ . 1 ]" 1
61 1 9 G H1' 1 11 C H5 4.500 4.000 34.500 8.934 8.405 10.388 . 0 0 "[ . 1 ]" 1
62 1 9 G H1' 1 11 C H6 4.500 4.000 34.500 9.382 8.984 10.312 . 0 0 "[ . 1 ]" 1
63 1 10 A H8 1 22 U H5 4.500 4.000 34.500 11.903 8.688 13.556 . 0 0 "[ . 1 ]" 1
64 1 11 C H1' 1 12 A H1' 4.500 4.000 34.500 6.171 5.258 6.730 . 0 0 "[ . 1 ]" 1
65 1 11 C H1' 1 13 C H5 4.500 4.000 34.500 4.623 3.977 6.937 0.023 7 0 "[ . 1 ]" 1
66 1 11 C H6 1 26 A H2 4.500 4.000 34.500 9.004 7.692 9.598 . 0 0 "[ . 1 ]" 1
67 1 11 C H5 1 27 A H2 4.500 4.000 34.500 12.356 11.944 13.279 . 0 0 "[ . 1 ]" 1
68 1 12 A H2 1 27 A H8 4.500 4.000 34.500 8.636 8.573 8.731 . 0 0 "[ . 1 ]" 1
69 1 17 C H1' 1 18 U H1' 4.500 4.000 34.500 5.012 4.516 5.612 . 0 0 "[ . 1 ]" 1
70 1 19 A H2 1 21 A H1' 4.500 4.000 34.500 4.362 3.979 4.647 0.021 4 0 "[ . 1 ]" 1
71 1 26 A H2 1 27 A H2 4.500 4.000 34.500 5.702 5.482 6.015 . 0 0 "[ . 1 ]" 1
72 1 26 A H2 1 28 A H8 4.500 4.000 34.500 7.998 7.695 8.106 . 0 0 "[ . 1 ]" 1
73 1 10 A H2 1 11 C H6 4.500 4.000 34.500 5.191 3.999 5.429 0.001 10 0 "[ . 1 ]" 1
74 1 10 A H2 1 12 A H8 4.500 4.000 34.500 4.099 3.924 5.340 0.076 7 0 "[ . 1 ]" 1
75 1 17 C H6 1 18 U H1' 4.500 4.000 34.500 6.726 5.361 7.073 . 0 0 "[ . 1 ]" 1
76 1 17 C H5 1 18 U H1' 4.500 4.000 34.500 7.535 5.398 8.144 . 0 0 "[ . 1 ]" 1
77 1 19 A H2 1 20 C H6 4.500 4.000 34.500 7.207 6.720 7.494 . 0 0 "[ . 1 ]" 1
78 1 15 A H2 1 23 U H6 4.500 4.000 34.500 5.245 5.156 5.387 . 0 0 "[ . 1 ]" 1
79 1 9 G H1' 1 10 A H2 4.500 4.000 34.500 8.104 7.233 9.754 . 0 0 "[ . 1 ]" 1
80 1 9 G H2' 1 9 G H8 3.000 2.500 4.000 3.811 3.680 3.892 . 0 0 "[ . 1 ]" 1
81 1 9 G H2' 1 10 A H8 4.000 3.500 5.000 3.924 3.493 4.683 0.007 2 0 "[ . 1 ]" 1
82 1 1 G H1' 1 1 G H8 2.750 2.250 3.580 3.818 3.816 3.820 0.240 1 0 "[ . 1 ]" 1
83 1 1 G H1' 1 2 G H8 2.640 2.140 3.640 3.854 3.749 3.866 0.226 8 0 "[ . 1 ]" 1
84 1 1 G H2' 1 2 G H1' 3.220 2.720 4.220 4.323 3.896 4.368 0.148 9 0 "[ . 1 ]" 1
85 1 2 G H1' 1 2 G H8 3.260 2.780 4.260 3.714 3.689 3.718 . 0 0 "[ . 1 ]" 1
86 1 2 G H1' 1 3 C H6 3.250 2.750 3.900 4.099 4.092 4.103 0.203 8 0 "[ . 1 ]" 1
87 1 1 G H8 1 2 G H8 3.070 2.570 4.070 3.981 2.873 4.093 0.023 3 0 "[ . 1 ]" 1
88 1 3 C H1' 1 3 C H6 3.290 2.790 4.100 3.541 3.535 3.560 . 0 0 "[ . 1 ]" 1
89 1 3 C H1' 1 4 G H8 2.930 2.430 3.880 4.093 4.087 4.098 0.218 1 0 "[ . 1 ]" 1
90 1 3 C H5 1 4 G H8 3.360 2.860 4.360 4.585 4.578 4.589 0.229 6 0 "[ . 1 ]" 1
91 1 4 G H8 1 5 C H5 2.960 2.460 3.960 3.019 3.010 3.024 . 0 0 "[ . 1 ]" 1
92 1 4 G H8 1 5 C H6 3.030 2.530 4.030 4.260 4.243 4.269 0.239 6 0 "[ . 1 ]" 1
93 1 4 G H1' 1 5 C H1' 2.980 2.480 3.980 4.350 4.347 4.356 0.376 4 0 "[ . 1 ]" 1
94 1 5 C H1' 1 5 C H6 3.240 2.740 4.190 3.411 3.401 3.417 . 0 0 "[ . 1 ]" 1
95 1 4 G H1' 1 5 C H5 3.360 2.860 4.360 4.834 4.831 4.841 0.481 5 0 "[ . 1 ]" 1
96 1 5 C H5 1 6 U H5 3.280 2.780 4.280 3.735 3.695 3.744 . 0 0 "[ . 1 ]" 1
97 1 5 C H6 1 6 U H6 3.440 2.940 4.440 4.517 4.498 4.526 0.086 8 0 "[ . 1 ]" 1
98 1 6 U H1' 1 7 U H6 2.920 2.420 3.820 4.065 4.002 4.091 0.271 1 0 "[ . 1 ]" 1
99 1 6 U H5 1 7 U H5 3.430 2.930 4.430 3.652 3.507 3.978 . 0 0 "[ . 1 ]" 1
100 1 5 C H1' 1 6 U H6 3.020 2.520 4.020 4.348 4.338 4.368 0.348 4 0 "[ . 1 ]" 1
101 1 6 U H1' 1 6 U H6 3.040 2.540 4.040 3.567 3.543 3.613 . 0 0 "[ . 1 ]" 1
102 1 6 U H6 1 7 U H5 3.360 2.860 4.250 3.899 3.841 4.024 . 0 0 "[ . 1 ]" 1
103 1 7 U H1' 1 7 U H6 3.020 2.520 3.820 3.506 3.482 3.532 . 0 0 "[ . 1 ]" 1
104 1 7 U H1' 1 29 A H2 2.670 2.280 3.670 2.621 2.326 3.062 . 0 0 "[ . 1 ]" 1
105 1 8 U H1' 1 9 G H8 3.240 2.780 4.240 4.141 4.002 4.257 0.017 11 0 "[ . 1 ]" 1
106 1 8 U H1' 1 28 A H2 2.720 2.380 3.720 3.743 3.737 3.752 0.032 4 0 "[ . 1 ]" 1
107 1 7 U H1' 1 8 U H6 3.130 2.630 4.130 4.178 4.040 4.237 0.107 4 0 "[ . 1 ]" 1
108 1 9 G H1' 1 9 G H8 3.140 2.650 4.140 3.585 3.550 3.640 . 0 0 "[ . 1 ]" 1
109 1 9 G H1' 1 27 A H2 3.090 2.770 4.090 3.992 3.790 4.101 0.011 7 0 "[ . 1 ]" 1
110 1 8 U H6 1 9 G H8 3.060 2.560 4.060 3.487 3.175 3.813 . 0 0 "[ . 1 ]" 1
111 1 11 C H1' 1 12 A H8 2.960 2.460 3.940 2.686 2.418 3.628 0.042 11 0 "[ . 1 ]" 1
112 1 12 A H1' 1 12 A H8 3.300 2.800 4.110 3.840 3.821 3.852 . 0 0 "[ . 1 ]" 1
113 1 12 A H1' 1 13 C H6 3.370 2.870 4.190 4.304 4.294 4.325 0.135 1 0 "[ . 1 ]" 1
114 1 12 A H2 1 13 C H1' 2.910 2.410 3.860 3.917 3.909 3.927 0.067 7 0 "[ . 1 ]" 1
115 1 13 C H1' 1 13 C H6 3.180 2.680 4.070 3.601 3.594 3.607 . 0 0 "[ . 1 ]" 1
116 1 13 C H1' 1 14 A H8 2.910 2.410 3.840 4.010 4.003 4.017 0.177 11 0 "[ . 1 ]" 1
117 1 13 C H6 1 14 A H8 3.360 2.860 4.360 3.939 3.930 3.946 . 0 0 "[ . 1 ]" 1
118 1 14 A H1' 1 14 A H8 3.070 2.570 4.050 3.672 3.655 3.685 . 0 0 "[ . 1 ]" 1
119 1 14 A H1' 1 15 A H8 2.950 2.450 3.890 4.096 4.088 4.106 0.216 11 0 "[ . 1 ]" 1
120 1 14 A H2 1 15 A H1' 3.420 2.920 4.200 3.152 3.052 3.288 . 0 0 "[ . 1 ]" 1
121 1 14 A H2 1 24 G H1' 3.070 2.570 4.020 4.000 3.887 4.031 0.011 11 0 "[ . 1 ]" 1
122 1 15 A H1' 1 16 U H6 3.310 2.810 4.030 4.176 4.163 4.225 0.195 11 0 "[ . 1 ]" 1
123 1 15 A H2 1 23 U H1' 2.720 2.650 3.720 3.577 3.503 3.697 . 0 0 "[ . 1 ]" 1
124 1 14 A H8 1 15 A H8 3.260 2.760 4.260 4.396 4.380 4.407 0.147 5 0 "[ . 1 ]" 1
125 1 15 A H8 1 16 U H5 3.120 2.640 4.120 3.868 3.663 3.943 . 0 0 "[ . 1 ]" 1
126 1 15 A H2 1 16 U H1' 3.140 2.640 4.140 2.753 2.597 3.284 0.043 4 0 "[ . 1 ]" 1
127 1 16 U H1' 1 16 U H6 3.060 2.560 4.020 3.390 3.350 3.478 . 0 0 "[ . 1 ]" 1
128 1 16 U H1' 1 17 C H6 3.230 2.730 4.230 4.293 4.256 4.473 0.243 11 0 "[ . 1 ]" 1
129 1 15 A H8 1 16 U H6 2.970 2.470 3.970 4.156 4.145 4.176 0.206 1 0 "[ . 1 ]" 1
130 1 17 C H1' 1 17 C H6 2.740 2.490 3.740 3.708 3.668 3.728 . 0 0 "[ . 1 ]" 1
131 1 17 C H1' 1 18 U H6 3.280 2.780 3.940 3.199 2.980 4.118 0.178 11 0 "[ . 1 ]" 1
132 1 17 C H1' 1 21 A H2 3.090 2.770 4.090 4.119 3.855 4.189 0.099 9 0 "[ . 1 ]" 1
133 1 17 C H6 1 18 U H5 3.420 2.920 4.140 3.406 2.830 4.146 0.090 11 0 "[ . 1 ]" 1
134 1 18 U H1' 1 18 U H6 2.940 2.470 3.940 3.674 3.326 3.757 . 0 0 "[ . 1 ]" 1
135 1 17 C H5 1 18 U H6 3.410 2.910 4.410 4.514 4.475 4.617 0.207 4 0 "[ . 1 ]" 1
136 1 17 C H6 1 18 U H6 3.010 2.510 4.010 3.309 3.095 4.021 0.011 4 0 "[ . 1 ]" 1
137 1 19 A H1' 1 19 A H8 3.400 2.900 4.390 3.727 3.664 3.864 . 0 0 "[ . 1 ]" 1
138 1 19 A H1' 1 20 C H1' 3.160 2.660 4.160 2.754 2.622 2.983 0.038 1 0 "[ . 1 ]" 1
139 1 19 A H8 1 21 A H1' 3.440 3.000 4.440 3.715 3.315 4.220 . 0 0 "[ . 1 ]" 1
140 1 19 A H2 1 20 C H1' 3.410 2.910 4.410 4.476 4.394 4.535 0.125 5 0 "[ . 1 ]" 1
141 1 20 C H1' 1 20 C H6 2.800 2.450 3.800 3.423 3.332 3.504 . 0 0 "[ . 1 ]" 1
142 1 20 C H1' 1 21 A H8 3.390 2.910 4.390 2.847 2.781 2.882 0.129 6 0 "[ . 1 ]" 1
143 1 20 C H6 1 21 A H8 3.450 2.950 4.450 4.500 4.412 4.528 0.078 10 0 "[ . 1 ]" 1
144 1 20 C H1' 1 21 A H1' 3.220 2.720 4.220 4.289 4.235 4.345 0.125 8 0 "[ . 1 ]" 1
145 1 21 A H1' 1 21 A H2 3.490 2.990 4.490 4.631 4.606 4.648 0.158 8 0 "[ . 1 ]" 1
146 1 21 A H1' 1 21 A H8 2.980 2.510 3.980 3.758 3.744 3.784 . 0 0 "[ . 1 ]" 1
147 1 21 A H1' 1 22 U H6 3.020 2.520 4.020 4.041 4.026 4.054 0.034 11 0 "[ . 1 ]" 1
148 1 21 A H2 1 22 U H1' 2.850 2.350 3.790 3.410 3.198 3.647 . 0 0 "[ . 1 ]" 1
149 1 21 A H8 1 22 U H5 3.350 2.950 4.350 4.031 3.832 4.117 . 0 0 "[ . 1 ]" 1
150 1 22 U H1' 1 22 U H6 2.870 2.830 3.870 3.413 3.391 3.447 . 0 0 "[ . 1 ]" 1
151 1 21 A H2 1 22 U H6 3.050 2.550 4.050 4.232 4.209 4.265 0.215 10 0 "[ . 1 ]" 1
152 1 21 A H8 1 22 U H6 3.260 2.760 4.260 4.470 4.459 4.489 0.229 11 0 "[ . 1 ]" 1
153 1 22 U H6 1 23 U H6 3.330 2.830 4.330 4.536 4.531 4.542 0.212 3 0 "[ . 1 ]" 1
154 1 23 U H1' 1 23 U H6 2.990 2.510 3.990 3.610 3.593 3.623 . 0 0 "[ . 1 ]" 1
155 1 23 U H1' 1 24 G H8 2.890 2.390 3.860 3.948 3.938 3.968 0.108 4 0 "[ . 1 ]" 1
156 1 23 U H6 1 24 G H8 3.430 2.930 4.430 4.527 4.514 4.533 0.103 6 0 "[ . 1 ]" 1
157 1 24 G H8 1 25 U H5 3.460 2.960 4.210 3.842 3.669 4.051 . 0 0 "[ . 1 ]" 1
158 1 25 U H1' 1 26 A H8 3.440 2.940 4.360 4.446 4.414 4.455 0.095 3 0 "[ . 1 ]" 1
159 1 12 A H2 1 26 A H1' 3.320 2.820 4.320 4.345 4.337 4.353 0.033 1 0 "[ . 1 ]" 1
160 1 26 A H1' 1 26 A H8 2.910 2.450 3.910 3.782 3.772 3.789 . 0 0 "[ . 1 ]" 1
161 1 26 A H2 1 27 A H1' 3.360 2.930 4.360 4.445 4.429 4.451 0.091 5 0 "[ . 1 ]" 1
162 1 26 A H3' 1 26 A H8 2.580 2.080 3.580 3.636 3.616 3.713 0.133 10 0 "[ . 1 ]" 1
163 1 26 A H8 1 27 A H8 3.180 2.680 4.180 4.279 4.204 4.299 0.119 4 0 "[ . 1 ]" 1
164 1 27 A H1' 1 27 A H8 3.420 2.920 4.330 3.794 3.765 3.807 . 0 0 "[ . 1 ]" 1
165 1 27 A H2 1 28 A H1' 3.170 2.670 4.110 4.057 3.330 4.150 0.040 7 0 "[ . 1 ]" 1
166 1 27 A H2 1 28 A H2 3.370 2.870 4.370 4.523 4.424 4.557 0.187 10 0 "[ . 1 ]" 1
167 1 28 A H1' 1 28 A H8 2.720 2.220 3.690 3.715 3.703 3.721 0.031 2 0 "[ . 1 ]" 1
168 1 28 A H1' 1 29 A H8 3.050 2.670 4.050 4.231 4.216 4.234 0.184 10 0 "[ . 1 ]" 1
169 1 28 A H2 1 29 A H1' 2.890 2.390 3.770 3.616 3.575 3.816 0.046 1 0 "[ . 1 ]" 1
170 1 28 A H2 1 29 A H2 3.310 2.810 4.310 4.118 4.023 4.346 0.036 1 0 "[ . 1 ]" 1
171 1 28 A H2 1 29 A H8 3.490 2.990 4.490 4.495 4.465 4.509 0.019 1 0 "[ . 1 ]" 1
172 1 27 A H8 1 28 A H8 3.160 2.660 4.160 4.039 4.000 4.178 0.018 1 0 "[ . 1 ]" 1
173 1 29 A H1' 1 29 A H2 3.080 2.830 4.080 4.423 4.416 4.427 0.347 3 0 "[ . 1 ]" 1
174 1 29 A H1' 1 29 A H8 3.050 2.550 4.030 3.808 3.805 3.813 . 0 0 "[ . 1 ]" 1
175 1 29 A H1' 1 30 G H8 2.920 2.420 3.870 3.939 3.935 3.966 0.096 1 0 "[ . 1 ]" 1
176 1 29 A H2 1 30 G H1' 2.800 2.300 3.680 3.755 3.680 3.767 0.087 5 0 "[ . 1 ]" 1
177 1 30 G H1' 1 30 G H8 3.020 2.520 3.970 3.546 3.541 3.577 . 0 0 "[ . 1 ]" 1
178 1 30 G H1' 1 31 C H6 3.340 2.840 3.760 4.211 4.140 4.220 0.460 7 0 "[ . 1 ]" 1
179 1 29 A H8 1 30 G H8 3.320 2.820 4.320 4.318 4.287 4.347 0.027 1 0 "[ . 1 ]" 1
180 1 30 G H8 1 31 C H5 3.340 2.860 4.340 3.464 3.369 3.477 . 0 0 "[ . 1 ]" 1
181 1 30 G H8 1 31 C H6 3.420 2.920 4.420 4.453 4.297 4.471 0.051 6 0 "[ . 1 ]" 1
182 1 31 C H1' 1 31 C H6 3.050 2.550 3.940 3.499 3.462 3.504 . 0 0 "[ . 1 ]" 1
183 1 31 C H1' 1 32 G H8 3.400 2.900 4.280 4.377 4.375 4.378 0.098 8 0 "[ . 1 ]" 1
184 1 33 C H1' 1 33 C H6 2.760 2.440 3.760 3.698 3.651 3.704 . 0 0 "[ . 1 ]" 1
185 1 33 C H5 1 34 C H5 3.210 2.710 4.210 3.536 3.527 3.549 . 0 0 "[ . 1 ]" 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 18
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 103.436
_Distance_constraint_stats_list.Viol_max 0.265
_Distance_constraint_stats_list.Viol_rms 0.0897
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0475
_Distance_constraint_stats_list.Viol_average_violations_only 0.1959
_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 3.990 0.229 11 0 "[ . 1 ]"
1 2 G 2.422 0.229 11 0 "[ . 1 ]"
1 3 C 0.000 0.000 . 0 "[ . 1 ]"
1 4 G 0.000 0.000 . 0 "[ . 1 ]"
1 5 C 0.000 0.000 . 0 "[ . 1 ]"
1 6 U 0.000 0.000 . 0 "[ . 1 ]"
1 7 U 2.495 0.243 6 0 "[ . 1 ]"
1 8 U 2.495 0.243 6 0 "[ . 1 ]"
1 15 A 0.000 0.000 . 0 "[ . 1 ]"
1 16 U 0.000 0.000 . 0 "[ . 1 ]"
1 17 C 0.229 0.168 11 0 "[ . 1 ]"
1 22 U 0.000 0.000 . 0 "[ . 1 ]"
1 23 U 0.000 0.000 . 0 "[ . 1 ]"
1 24 G 0.000 0.000 . 0 "[ . 1 ]"
1 25 U 0.000 0.000 . 0 "[ . 1 ]"
1 26 A 2.689 0.265 7 0 "[ . 1 ]"
1 27 A 2.495 0.243 6 0 "[ . 1 ]"
1 28 A 2.495 0.243 6 0 "[ . 1 ]"
1 31 C 0.000 0.000 . 0 "[ . 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 3 C H5 1 4 G H8 3.400 2.900 4.400 2.980 2.972 2.985 . 0 0 "[ . 1 ]" 2
2 1 8 U H1' 1 8 U H6 2.570 2.070 3.570 3.320 3.267 3.342 . 0 0 "[ . 1 ]" 2
3 1 4 G H1' 1 5 C H6 2.500 2.050 3.500 3.404 3.394 3.414 . 0 0 "[ . 1 ]" 2
4 1 5 C H1' 1 6 U H6 2.720 2.220 3.720 3.412 3.394 3.449 . 0 0 "[ . 1 ]" 2
5 1 4 G H1' 1 4 G H8 2.640 2.140 3.540 3.529 3.517 3.539 . 0 0 "[ . 1 ]" 2
6 1 2 G H8 1 3 C H5 2.530 2.030 3.530 2.414 2.412 2.419 . 0 0 "[ . 1 ]" 2
7 1 15 A H2 1 16 U H1' 2.780 2.280 3.780 2.720 2.575 3.205 . 0 0 "[ . 1 ]" 2
8 1 1 G H1' 1 1 G H2' 2.330 . 2.830 2.800 2.737 2.807 . 0 0 "[ . 1 ]" 2
9 1 1 G H2' 1 1 G H8 2.460 . 2.870 3.013 2.967 3.018 0.148 8 0 "[ . 1 ]" 2
10 1 1 G H2' 1 2 G H8 2.350 . 2.850 1.700 1.691 1.777 0.229 11 0 "[ . 1 ]" 2
11 1 6 U H5 1 6 U H6 2.420 . 2.880 2.404 2.401 2.406 . 0 0 "[ . 1 ]" 2
12 1 8 U H5 1 8 U H6 2.460 . 2.900 2.410 2.405 2.413 . 0 0 "[ . 1 ]" 2
13 1 17 C H2' 1 17 C H6 2.180 . 2.680 2.503 2.289 2.848 0.168 11 0 "[ . 1 ]" 2
14 1 26 A H2' 1 26 A H8 2.300 . 2.800 3.044 2.986 3.065 0.265 7 0 "[ . 1 ]" 2
15 1 31 C H5 1 31 C H6 2.410 . 2.840 2.431 2.430 2.433 . 0 0 "[ . 1 ]" 2
16 1 22 U H1' 1 23 U H6 2.350 . 2.830 2.398 2.396 2.399 . 0 0 "[ . 1 ]" 2
17 1 7 U H1' 1 8 U H6 2.470 . 2.970 3.197 3.165 3.213 0.243 6 0 "[ . 1 ]" 2
18 1 15 A H1' 1 15 A H8 2.290 . 2.740 2.399 2.396 2.405 . 0 0 "[ . 1 ]" 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 36
_Distance_constraint_stats_list.Viol_count 325
_Distance_constraint_stats_list.Viol_total 360.807
_Distance_constraint_stats_list.Viol_max 0.342
_Distance_constraint_stats_list.Viol_rms 0.0949
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0828
_Distance_constraint_stats_list.Viol_average_violations_only 0.1009
_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 0.614 0.036 1 0 "[ . 1 ]"
1 3 C 2.293 0.097 1 0 "[ . 1 ]"
1 4 G 5.375 0.342 1 0 "[ . 1 ]"
1 5 C 5.093 0.342 1 0 "[ . 1 ]"
1 6 U 5.166 0.338 7 0 "[ . 1 ]"
1 7 U 5.167 0.338 7 0 "[ . 1 ]"
1 8 U 1.562 0.145 7 0 "[ . 1 ]"
1 9 G 0.164 0.018 5 0 "[ . 1 ]"
1 13 C 1.585 0.097 1 0 "[ . 1 ]"
1 14 A 4.875 0.274 11 0 "[ . 1 ]"
1 15 A 4.412 0.274 11 0 "[ . 1 ]"
1 16 U 1.122 0.104 11 0 "[ . 1 ]"
1 21 A 2.079 0.148 1 0 "[ . 1 ]"
1 22 U 2.387 0.148 1 0 "[ . 1 ]"
1 23 U 2.876 0.248 4 0 "[ . 1 ]"
1 24 G 2.568 0.248 4 0 "[ . 1 ]"
1 26 A 1.999 0.210 7 0 "[ . 1 ]"
1 27 A 2.691 0.210 7 0 "[ . 1 ]"
1 28 A 2.767 0.206 1 0 "[ . 1 ]"
1 29 A 3.512 0.206 1 0 "[ . 1 ]"
1 30 G 4.365 0.275 1 0 "[ . 1 ]"
1 31 C 2.929 0.275 1 0 "[ . 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 2 G H2' 1 3 C H6 2.000 . 3.000 1.870 1.864 1.872 0.036 1 0 "[ . 1 ]" 3
2 1 3 C H2' 1 4 G H8 2.000 . 3.000 1.840 1.827 1.844 0.073 1 0 "[ . 1 ]" 3
3 1 4 G H2' 1 5 C H6 2.000 . 3.000 1.564 1.558 1.572 0.342 1 0 "[ . 1 ]" 3
4 1 5 C H2' 1 6 U H6 2.000 . 3.000 1.780 1.772 1.792 0.128 1 0 "[ . 1 ]" 3
5 1 6 U H2' 1 7 U H6 2.000 . 3.000 1.584 1.562 1.593 0.338 7 0 "[ . 1 ]" 3
6 1 7 U H2' 1 8 U H6 2.000 . 3.000 1.778 1.755 1.803 0.145 7 0 "[ . 1 ]" 3
7 1 8 U H2' 1 9 G H8 2.000 . 3.000 1.889 1.882 1.900 0.018 5 0 "[ . 1 ]" 3
8 1 13 C H2' 1 14 A H8 2.000 . 3.000 1.815 1.803 1.822 0.097 1 0 "[ . 1 ]" 3
9 1 14 A H2' 1 15 A H8 2.000 . 3.000 1.638 1.626 1.646 0.274 11 0 "[ . 1 ]" 3
10 1 15 A H2' 1 16 U H6 2.000 . 3.000 1.821 1.796 1.831 0.104 11 0 "[ . 1 ]" 3
11 1 21 A H2' 1 22 U H6 2.000 . 3.000 1.768 1.752 1.785 0.148 1 0 "[ . 1 ]" 3
12 1 22 U H2' 1 23 U H6 2.000 . 3.000 2.446 2.275 2.556 . 0 0 "[ . 1 ]" 3
13 1 23 U H2' 1 24 G H8 2.000 . 3.000 1.676 1.652 1.688 0.248 4 0 "[ . 1 ]" 3
14 1 26 A H2' 1 27 A H8 2.000 . 3.000 1.735 1.690 1.925 0.210 7 0 "[ . 1 ]" 3
15 1 27 A H2' 1 28 A H8 2.000 . 3.000 1.837 1.831 1.855 0.069 8 0 "[ . 1 ]" 3
16 1 28 A H2' 1 29 A H8 2.000 . 3.000 1.716 1.694 1.728 0.206 1 0 "[ . 1 ]" 3
17 1 29 A H2' 1 30 G H8 2.000 . 3.000 1.809 1.753 1.816 0.147 1 0 "[ . 1 ]" 3
18 1 30 G H2' 1 31 C H6 2.000 . 3.000 1.634 1.625 1.636 0.275 1 0 "[ . 1 ]" 3
19 1 2 G O2' 1 3 C H5' 2.500 2.400 3.500 2.375 2.372 2.384 0.028 6 0 "[ . 1 ]" 3
20 1 3 C O2' 1 4 G H5' 2.500 2.400 3.500 2.308 2.303 2.314 0.097 1 0 "[ . 1 ]" 3
21 1 4 G O2' 1 5 C H5' 2.500 2.400 3.500 2.860 2.807 2.901 . 0 0 "[ . 1 ]" 3
22 1 5 C O2' 1 6 U H5' 2.500 2.400 3.500 2.408 2.390 2.562 0.010 10 0 "[ . 1 ]" 3
23 1 6 U O2' 1 7 U H5' 2.500 2.400 3.500 2.422 2.360 2.582 0.040 10 0 "[ . 1 ]" 3
24 1 7 U O2' 1 8 U H5' 2.500 2.400 3.500 2.529 2.382 2.645 0.018 7 0 "[ . 1 ]" 3
25 1 8 U O2' 1 9 G H5' 2.500 2.400 3.500 2.411 2.389 2.452 0.011 5 0 "[ . 1 ]" 3
26 1 13 C O2' 1 14 A H5' 2.500 2.400 3.500 2.341 2.334 2.346 0.066 5 0 "[ . 1 ]" 3
27 1 14 A O2' 1 15 A H5' 2.500 2.400 3.500 2.363 2.347 2.378 0.053 11 0 "[ . 1 ]" 3
28 1 15 A O2' 1 16 U H5' 2.500 2.400 3.500 2.377 2.368 2.386 0.032 11 0 "[ . 1 ]" 3
29 1 21 A O2' 1 22 U H5' 2.500 2.400 3.500 2.343 2.332 2.349 0.068 4 0 "[ . 1 ]" 3
30 1 22 U O2' 1 23 U H5' 2.500 2.400 3.500 2.372 2.357 2.382 0.043 4 0 "[ . 1 ]" 3
31 1 23 U O2' 1 24 G H5' 2.500 2.400 3.500 2.391 2.387 2.394 0.013 6 0 "[ . 1 ]" 3
32 1 26 A O2' 1 27 A H5' 2.500 2.400 3.500 2.601 2.457 3.658 0.158 10 0 "[ . 1 ]" 3
33 1 27 A O2' 1 28 A H5' 2.500 2.400 3.500 2.875 2.460 2.948 . 0 0 "[ . 1 ]" 3
34 1 28 A O2' 1 29 A H5' 2.500 2.400 3.500 2.396 2.390 2.398 0.010 1 0 "[ . 1 ]" 3
35 1 29 A O2' 1 30 G H5' 2.500 2.400 3.500 2.360 2.359 2.366 0.041 11 0 "[ . 1 ]" 3
36 1 30 G O2' 1 31 C H5' 2.500 2.400 3.500 2.678 2.609 2.692 . 0 0 "[ . 1 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 234
_Distance_constraint_stats_list.Viol_total 80.902
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0232
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0209
_Distance_constraint_stats_list.Viol_average_violations_only 0.0314
_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 0.412 0.037 5 0 "[ . 1 ]"
1 2 G 0.219 0.023 1 0 "[ . 1 ]"
1 3 C 0.678 0.065 10 0 "[ . 1 ]"
1 4 G 0.555 0.030 1 0 "[ . 1 ]"
1 5 C 0.855 0.047 4 0 "[ . 1 ]"
1 6 U 0.549 0.060 1 0 "[ . 1 ]"
1 7 U 0.153 0.023 5 0 "[ . 1 ]"
1 8 U 0.914 0.105 8 0 "[ . 1 ]"
1 12 A 0.447 0.052 7 0 "[ . 1 ]"
1 13 C 0.305 0.025 1 0 "[ . 1 ]"
1 14 A 0.516 0.051 4 0 "[ . 1 ]"
1 15 A 0.926 0.057 5 0 "[ . 1 ]"
1 16 U 0.826 0.068 11 0 "[ . 1 ]"
1 21 A 0.826 0.068 11 0 "[ . 1 ]"
1 22 U 0.926 0.057 5 0 "[ . 1 ]"
1 23 U 0.516 0.051 4 0 "[ . 1 ]"
1 24 G 0.305 0.025 1 0 "[ . 1 ]"
1 25 U 0.447 0.052 7 0 "[ . 1 ]"
1 27 A 0.914 0.105 8 0 "[ . 1 ]"
1 28 A 0.153 0.023 5 0 "[ . 1 ]"
1 29 A 0.549 0.060 1 0 "[ . 1 ]"
1 30 G 0.855 0.047 4 0 "[ . 1 ]"
1 31 C 0.555 0.030 1 0 "[ . 1 ]"
1 32 G 0.678 0.065 10 0 "[ . 1 ]"
1 33 C 0.219 0.023 1 0 "[ . 1 ]"
1 34 C 0.412 0.037 5 0 "[ . 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 H22 1 34 C O2 1.900 . 2.000 1.875 1.872 1.882 . 0 0 "[ . 1 ]" 4
2 1 1 G H1 1 34 C N3 1.900 . 2.000 2.003 1.998 2.005 0.005 11 0 "[ . 1 ]" 4
3 1 1 G O6 1 34 C H42 1.900 . 2.000 2.034 2.012 2.037 0.037 5 0 "[ . 1 ]" 4
4 1 2 G H22 1 33 C O2 1.900 . 2.000 2.006 1.989 2.009 0.009 9 0 "[ . 1 ]" 4
5 1 2 G H1 1 33 C N3 1.900 . 2.000 2.013 2.011 2.023 0.023 1 0 "[ . 1 ]" 4
6 1 2 G O6 1 33 C H42 1.900 . 2.000 1.827 1.820 1.883 . 0 0 "[ . 1 ]" 4
7 1 3 C O2 1 32 G H22 1.900 . 2.000 2.062 2.049 2.065 0.065 10 0 "[ . 1 ]" 4
8 1 3 C N3 1 32 G H1 1.900 . 2.000 1.962 1.960 1.963 . 0 0 "[ . 1 ]" 4
9 1 3 C H42 1 32 G O6 1.900 . 2.000 1.814 1.811 1.822 . 0 0 "[ . 1 ]" 4
10 1 4 G H22 1 31 C O2 1.900 . 2.000 1.885 1.880 1.908 . 0 0 "[ . 1 ]" 4
11 1 4 G H1 1 31 C N3 1.900 . 2.000 2.027 2.025 2.030 0.030 1 0 "[ . 1 ]" 4
12 1 4 G O6 1 31 C H42 1.900 . 2.000 2.024 2.005 2.027 0.027 6 0 "[ . 1 ]" 4
13 1 5 C O2 1 30 G H22 1.900 . 2.000 2.036 2.028 2.042 0.042 6 0 "[ . 1 ]" 4
14 1 5 C N3 1 30 G H1 1.900 . 2.000 2.041 2.039 2.047 0.047 4 0 "[ . 1 ]" 4
15 1 5 C H42 1 30 G O6 1.900 . 2.000 1.853 1.840 1.880 . 0 0 "[ . 1 ]" 4
16 1 6 U O4 1 29 A H62 1.900 . 2.000 2.050 2.044 2.060 0.060 1 0 "[ . 1 ]" 4
17 1 6 U H3 1 29 A N1 1.900 . 2.000 1.976 1.967 1.980 . 0 0 "[ . 1 ]" 4
18 1 7 U O4 1 28 A H62 1.900 . 2.000 1.918 1.777 2.021 0.023 5 0 "[ . 1 ]" 4
19 1 7 U H3 1 28 A N1 1.900 . 2.000 1.963 1.858 2.012 0.012 3 0 "[ . 1 ]" 4
20 1 8 U O4 1 27 A H62 1.900 . 2.000 2.083 2.008 2.105 0.105 8 0 "[ . 1 ]" 4
21 1 8 U H3 1 27 A N1 1.900 . 2.000 1.896 1.864 2.003 0.003 1 0 "[ . 1 ]" 4
22 1 12 A H62 1 25 U O4 1.900 . 2.000 2.041 2.035 2.052 0.052 7 0 "[ . 1 ]" 4
23 1 12 A N1 1 25 U H3 1.900 . 2.000 1.931 1.889 1.947 . 0 0 "[ . 1 ]" 4
24 1 13 C O2 1 24 G H22 1.900 . 2.000 2.016 2.008 2.025 0.025 1 0 "[ . 1 ]" 4
25 1 13 C N3 1 24 G H1 1.900 . 2.000 2.007 1.989 2.017 0.017 9 0 "[ . 1 ]" 4
26 1 13 C H42 1 24 G O6 1.900 . 2.000 1.804 1.782 1.834 0.018 4 0 "[ . 1 ]" 4
27 1 14 A H62 1 23 U O4 1.900 . 2.000 2.007 2.000 2.013 0.013 7 0 "[ . 1 ]" 4
28 1 14 A N1 1 23 U H3 1.900 . 2.000 2.040 2.032 2.051 0.051 4 0 "[ . 1 ]" 4
29 1 15 A H62 1 22 U O4 1.900 . 2.000 1.757 1.743 1.785 0.057 5 0 "[ . 1 ]" 4
30 1 15 A N1 1 22 U H3 1.900 . 2.000 2.041 2.015 2.054 0.054 10 0 "[ . 1 ]" 4
31 1 16 U O4 1 21 A H62 1.900 . 2.000 2.023 2.012 2.034 0.034 2 0 "[ . 1 ]" 4
32 1 16 U H3 1 21 A N1 1.900 . 2.000 2.052 2.033 2.068 0.068 11 0 "[ . 1 ]" 4
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