NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476275 |
1bn0   |
4175 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bn0
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 228
_Distance_constraint_stats_list.Viol_count 644
_Distance_constraint_stats_list.Viol_total 1418.041
_Distance_constraint_stats_list.Viol_max 1.695
_Distance_constraint_stats_list.Viol_rms 0.1249
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0514
_Distance_constraint_stats_list.Viol_average_violations_only 0.2002
_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 4.209 0.210 4 0 "[ . 1 ]"
1 2 G 2.483 0.198 11 0 "[ . 1 ]"
1 3 A 13.296 0.689 10 11 [**-******+*]
1 4 C 14.116 0.415 5 0 "[ . 1 ]"
1 5 U 9.660 0.321 11 0 "[ . 1 ]"
1 6 A 15.238 0.332 10 0 "[ . 1 ]"
1 7 G 12.074 0.473 9 0 "[ . 1 ]"
1 8 C 6.898 0.473 9 0 "[ . 1 ]"
1 9 G 6.326 0.444 3 0 "[ . 1 ]"
1 10 G 1.751 0.258 4 0 "[ . 1 ]"
1 11 A 24.339 1.695 5 10 "[*** +**-***]"
1 12 G 24.389 1.695 5 11 [****+*****-]
1 13 G 23.314 0.906 9 8 "[** *.* *+*-]"
1 14 C 5.639 0.385 3 0 "[ . 1 ]"
1 15 U 3.547 0.873 2 4 "[*+-*. 1 ]"
1 16 A 11.411 0.873 2 4 "[*+-*. 1 ]"
1 17 G 7.437 0.364 3 0 "[ . 1 ]"
1 18 U 5.349 0.364 3 0 "[ . 1 ]"
1 19 C 10.858 0.402 7 0 "[ . 1 ]"
1 20 C 5.972 0.402 7 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 1 G H4' 3.540 3.440 4.040 3.427 3.336 3.567 0.104 2 0 "[ . 1 ]" 1
2 1 1 G H4' 1 1 G H8 4.430 3.830 4.930 4.535 4.467 4.606 . 0 0 "[ . 1 ]" 1
3 1 1 G H1' 1 1 G H8 4.210 4.110 4.710 3.936 3.900 3.966 0.210 4 0 "[ . 1 ]" 1
4 1 1 G H1' 1 1 G H3' 4.100 3.900 4.600 3.960 3.927 3.983 . 0 0 "[ . 1 ]" 1
5 1 1 G H3' 1 1 G H8 3.210 3.010 3.710 3.141 2.892 3.295 0.118 6 0 "[ . 1 ]" 1
6 1 1 G H1' 1 2 G H8 3.610 3.510 4.110 4.175 4.031 4.308 0.198 11 0 "[ . 1 ]" 1
7 1 1 G H8 1 2 G H8 6.430 5.950 6.930 5.871 5.788 5.966 0.162 5 0 "[ . 1 ]" 1
8 1 1 G H3' 1 2 G H8 4.210 4.010 4.710 4.247 4.114 4.355 . 0 0 "[ . 1 ]" 1
9 1 2 G H1' 1 2 G H8 3.870 3.770 4.370 3.776 3.667 3.853 0.103 4 0 "[ . 1 ]" 1
10 1 3 A H1' 1 3 A H4' 3.870 3.770 4.370 3.521 3.493 3.580 0.277 8 0 "[ . 1 ]" 1
11 1 2 G H1' 1 3 A H8 5.010 4.820 5.510 5.129 5.068 5.178 . 0 0 "[ . 1 ]" 1
12 1 3 A H1' 1 3 A H8 3.840 3.740 4.340 3.732 3.663 3.785 0.077 2 0 "[ . 1 ]" 1
13 1 3 A H2 1 4 C H1' 3.400 3.300 3.900 3.266 3.137 3.385 0.163 11 0 "[ . 1 ]" 1
14 1 4 C H1' 1 4 C H4' 3.690 3.590 4.190 3.369 3.317 3.397 0.273 5 0 "[ . 1 ]" 1
15 1 3 A H4' 1 4 C H6 5.590 5.250 6.090 5.731 5.645 5.807 . 0 0 "[ . 1 ]" 1
16 1 3 A H8 1 4 C H6 5.020 4.830 5.520 4.668 4.581 4.771 0.249 8 0 "[ . 1 ]" 1
17 1 3 A H2 1 4 C H6 6.110 5.630 6.610 5.554 5.496 5.648 0.134 3 0 "[ . 1 ]" 1
18 1 3 A H3' 1 4 C H6 2.960 2.360 3.460 2.930 2.752 3.052 . 0 0 "[ . 1 ]" 1
19 1 4 C H4' 1 4 C H6 3.870 3.770 4.370 4.063 4.042 4.107 . 0 0 "[ . 1 ]" 1
20 1 4 C H1' 1 4 C H6 3.800 3.700 4.300 3.695 3.675 3.732 0.025 6 0 "[ . 1 ]" 1
21 1 4 C H1' 1 4 C H3' 4.460 4.360 4.960 3.960 3.945 3.984 0.415 5 0 "[ . 1 ]" 1
22 1 4 C H3' 1 4 C H6 2.830 2.730 3.330 2.687 2.609 2.776 0.121 1 0 "[ . 1 ]" 1
23 1 4 C H1' 1 5 U H6 6.040 5.460 6.540 5.261 5.139 5.322 0.321 11 0 "[ . 1 ]" 1
24 1 4 C H6 1 5 U H6 5.110 4.890 5.610 5.203 5.101 5.281 . 0 0 "[ . 1 ]" 1
25 1 4 C H3' 1 5 U H6 3.600 3.500 4.100 3.408 3.329 3.472 0.171 4 0 "[ . 1 ]" 1
26 1 5 U H4' 1 5 U H6 3.700 3.600 4.200 3.999 3.969 4.056 . 0 0 "[ . 1 ]" 1
27 1 5 U H1' 1 5 U H6 3.960 3.860 4.460 3.674 3.643 3.704 0.217 11 0 "[ . 1 ]" 1
28 1 4 C H5 1 5 U H5 4.350 4.150 4.850 4.392 4.286 4.485 . 0 0 "[ . 1 ]" 1
29 1 4 C H3' 1 5 U H5 3.800 3.700 4.300 3.750 3.587 3.907 0.113 4 0 "[ . 1 ]" 1
30 1 5 U H3' 1 5 U H6 2.780 2.680 3.280 2.533 2.471 2.644 0.209 1 0 "[ . 1 ]" 1
31 1 5 U H6 1 6 A H8 . 5.430 5.490 5.197 5.123 5.290 0.307 4 0 "[ . 1 ]" 1
32 1 6 A H4' 1 6 A H8 3.740 3.140 4.240 4.192 4.137 4.419 0.179 6 0 "[ . 1 ]" 1
33 1 6 A H1' 1 6 A H8 3.950 3.850 4.450 3.795 3.763 3.815 0.087 10 0 "[ . 1 ]" 1
34 1 6 A H1' 1 6 A H3' 4.050 3.850 4.550 3.818 3.800 3.838 0.050 2 0 "[ . 1 ]" 1
35 1 6 A H2 1 7 G H1' 3.720 3.620 4.220 3.862 3.732 4.167 . 0 0 "[ . 1 ]" 1
36 1 6 A H1' 1 7 G H8 4.090 3.990 4.590 4.852 4.552 4.922 0.332 10 0 "[ . 1 ]" 1
37 1 6 A H8 1 7 G H8 5.630 5.300 6.130 5.129 4.997 5.262 0.303 4 0 "[ . 1 ]" 1
38 1 6 A H3' 1 7 G H8 3.710 3.610 4.210 3.555 3.333 4.134 0.277 10 0 "[ . 1 ]" 1
39 1 7 G H1' 1 7 G H8 4.300 3.700 4.800 3.803 3.736 3.845 . 0 0 "[ . 1 ]" 1
40 1 8 C H1' 1 8 C H6 3.570 3.470 4.070 3.660 3.647 3.672 . 0 0 "[ . 1 ]" 1
41 1 8 C H1' 1 9 G H8 6.740 6.060 7.240 5.816 5.714 5.929 0.346 9 0 "[ . 1 ]" 1
42 1 8 C H6 1 9 G H8 4.880 4.280 5.380 5.014 4.749 5.116 . 0 0 "[ . 1 ]" 1
43 1 9 G H4' 1 9 G H8 4.470 4.370 4.970 4.480 4.310 4.628 0.060 7 0 "[ . 1 ]" 1
44 1 9 G H1' 1 9 G H8 3.900 3.800 4.400 3.925 3.865 3.970 . 0 0 "[ . 1 ]" 1
45 1 9 G H3' 1 9 G H8 3.380 3.180 3.880 2.906 2.736 3.049 0.444 3 0 "[ . 1 ]" 1
46 1 10 G H1' 1 10 G H4' 3.550 2.950 4.050 3.304 3.009 3.716 . 0 0 "[ . 1 ]" 1
47 1 10 G H1' 1 10 G H8 3.300 2.800 3.800 3.343 3.084 3.786 . 0 0 "[ . 1 ]" 1
48 1 10 G H1' 1 10 G H3' 3.760 3.660 4.260 3.797 3.696 3.914 . 0 0 "[ . 1 ]" 1
49 1 11 A H1' 1 11 A H4' 3.220 3.120 3.720 3.106 2.570 3.725 0.550 8 1 "[ . + 1 ]" 1
50 1 10 G H1' 1 11 A H8 6.880 6.350 7.380 6.497 6.235 6.914 0.115 8 0 "[ . 1 ]" 1
51 1 10 G H3' 1 11 A H8 3.720 3.620 4.220 3.733 3.533 3.945 0.087 9 0 "[ . 1 ]" 1
52 1 11 A H1' 1 11 A H8 3.440 3.340 3.940 3.663 3.259 3.886 0.081 5 0 "[ . 1 ]" 1
53 1 10 G H8 1 11 A H2 6.720 6.120 7.220 6.345 5.874 7.088 0.246 1 0 "[ . 1 ]" 1
54 1 11 A H3' 1 11 A H4' 2.890 2.790 3.390 2.880 2.732 3.011 0.058 4 0 "[ . 1 ]" 1
55 1 11 A H3' 1 11 A H8 3.900 3.800 4.400 4.429 4.067 5.089 0.689 9 1 "[ . +1 ]" 1
56 1 12 G H1' 1 12 G H8 4.240 3.240 4.740 3.469 3.248 3.637 . 0 0 "[ . 1 ]" 1
57 1 12 G H1' 1 12 G H3' 4.800 2.800 5.300 3.940 3.615 4.067 . 0 0 "[ . 1 ]" 1
58 1 12 G H3' 1 13 G H4' 4.710 4.490 5.210 4.083 3.584 5.010 0.906 9 7 "[ * *.* *+*-]" 1
59 1 11 A H1' 1 13 G H1' 4.300 4.200 4.800 4.611 4.178 5.442 0.642 1 1 "[+ . 1 ]" 1
60 1 11 A H8 1 13 G H1' 6.520 5.890 7.020 6.023 5.779 6.442 0.111 11 0 "[ . 1 ]" 1
61 1 13 G H1' 1 13 G H4' 3.900 3.800 4.400 3.643 3.513 3.844 0.287 6 0 "[ . 1 ]" 1
62 1 12 G H4' 1 13 G H8 5.900 5.000 6.400 4.856 4.571 5.859 0.429 7 0 "[ . 1 ]" 1
63 1 12 G H3' 1 13 G H8 4.010 3.910 4.510 3.772 3.500 4.641 0.410 2 0 "[ . 1 ]" 1
64 1 13 G H4' 1 13 G H8 5.200 5.000 5.700 4.722 4.510 4.808 0.490 5 0 "[ . 1 ]" 1
65 1 13 G H1' 1 13 G H8 4.500 3.500 5.000 3.829 3.762 3.889 . 0 0 "[ . 1 ]" 1
66 1 13 G H3' 1 13 G H8 3.490 3.290 3.990 3.585 3.518 3.647 . 0 0 "[ . 1 ]" 1
67 1 13 G H1' 1 14 C H6 4.080 3.980 4.580 4.518 4.403 4.704 0.124 6 0 "[ . 1 ]" 1
68 1 14 C H1' 1 14 C H6 3.680 3.080 4.180 3.583 3.546 3.624 . 0 0 "[ . 1 ]" 1
69 1 13 G H1' 1 14 C H5 4.990 4.790 5.490 5.485 5.342 5.652 0.162 6 0 "[ . 1 ]" 1
70 1 13 G H8 1 14 C H5 6.720 6.010 7.220 5.708 5.625 5.800 0.385 3 0 "[ . 1 ]" 1
71 1 13 G H3' 1 14 C H5 3.690 3.490 4.190 3.967 3.856 4.055 . 0 0 "[ . 1 ]" 1
72 1 15 U H1' 1 15 U H4' 3.320 2.720 3.820 3.304 3.122 3.526 . 0 0 "[ . 1 ]" 1
73 1 14 C H1' 1 15 U H6 4.800 4.200 5.300 4.918 4.824 5.035 . 0 0 "[ . 1 ]" 1
74 1 15 U H4' 1 15 U H6 5.000 . 5.500 4.470 3.945 4.799 . 0 0 "[ . 1 ]" 1
75 1 15 U H1' 1 15 U H6 3.350 2.750 3.850 3.594 3.449 3.669 . 0 0 "[ . 1 ]" 1
76 1 14 C H5 1 15 U H5 4.230 4.030 4.730 4.364 4.307 4.417 . 0 0 "[ . 1 ]" 1
77 1 14 C H3' 1 15 U H5 4.270 3.670 4.770 3.782 3.532 4.069 0.138 5 0 "[ . 1 ]" 1
78 1 6 A H2 1 16 A H1' 3.720 3.620 4.220 3.828 3.745 3.939 . 0 0 "[ . 1 ]" 1
79 1 15 U H1' 1 16 A H8 3.910 3.310 4.410 4.337 3.641 5.283 0.873 2 4 "[*+-*. 1 ]" 1
80 1 15 U H6 1 16 A H8 4.460 4.360 4.960 4.535 4.306 4.714 0.054 4 0 "[ . 1 ]" 1
81 1 16 A H1' 1 16 A H8 3.780 3.680 4.280 3.850 3.831 3.885 . 0 0 "[ . 1 ]" 1
82 1 6 A H1' 1 16 A H2 3.730 3.630 4.230 3.994 3.911 4.112 . 0 0 "[ . 1 ]" 1
83 1 6 A H8 1 16 A H2 6.560 5.950 7.060 5.871 5.796 5.986 0.154 2 0 "[ . 1 ]" 1
84 1 16 A H1' 1 16 A H3' 3.770 3.570 4.270 3.794 3.763 3.821 . 0 0 "[ . 1 ]" 1
85 1 16 A H2 1 17 G H1' 3.380 3.280 3.880 3.540 3.426 3.652 . 0 0 "[ . 1 ]" 1
86 1 16 A H8 1 17 G H8 5.140 4.940 5.640 4.795 4.640 5.141 0.300 1 0 "[ . 1 ]" 1
87 1 16 A H2 1 17 G H8 6.670 6.120 7.170 6.012 5.923 6.173 0.197 11 0 "[ . 1 ]" 1
88 1 16 A H3' 1 17 G H8 3.130 3.030 3.630 3.325 3.245 3.401 . 0 0 "[ . 1 ]" 1
89 1 18 U H4' 1 18 U H6 3.230 2.630 3.730 3.692 3.622 3.724 . 0 0 "[ . 1 ]" 1
90 1 18 U H1' 1 18 U H6 3.560 3.360 4.060 3.420 3.328 3.486 0.032 8 0 "[ . 1 ]" 1
91 1 17 G H8 1 18 U H5 4.830 4.680 5.330 4.452 4.316 4.601 0.364 3 0 "[ . 1 ]" 1
92 1 3 A H2 1 19 C H1' 3.460 3.360 3.960 3.613 3.478 3.733 . 0 0 "[ . 1 ]" 1
93 1 18 U H1' 1 19 C H6 4.490 3.890 4.990 4.611 4.539 4.680 . 0 0 "[ . 1 ]" 1
94 1 19 C H1' 1 19 C H6 4.100 4.000 4.600 3.744 3.680 3.779 0.320 4 0 "[ . 1 ]" 1
95 1 18 U H5 1 19 C H5 3.950 3.850 4.450 3.833 3.792 3.898 0.058 4 0 "[ . 1 ]" 1
96 1 19 C H1' 1 20 C H6 . 6.080 6.500 5.715 5.678 5.824 0.402 7 0 "[ . 1 ]" 1
97 1 20 C H1' 1 20 C H6 3.930 3.830 4.430 3.774 3.746 3.794 0.084 4 0 "[ . 1 ]" 1
98 1 6 A H2 1 7 G H8 6.720 6.350 7.220 6.121 6.081 6.210 0.269 6 0 "[ . 1 ]" 1
99 1 8 C H1' 1 8 C H5 5.920 5.430 6.420 5.377 5.350 5.413 0.080 7 0 "[ . 1 ]" 1
100 1 13 G H8 1 14 C H6 6.860 6.400 7.360 6.245 6.203 6.302 0.197 11 0 "[ . 1 ]" 1
101 1 6 A H2 1 16 A H8 6.880 6.600 7.380 6.401 6.295 6.535 0.305 11 0 "[ . 1 ]" 1
102 1 3 A H1' 1 3 A H2 5.900 5.710 6.400 5.112 5.021 5.188 0.689 10 11 [**-******+*] 1
103 1 10 G H1' 1 11 A H2 6.900 6.650 7.400 7.127 6.953 7.294 . 0 0 "[ . 1 ]" 1
104 1 12 G H1' 1 13 G H8 6.750 6.400 7.250 7.000 6.483 7.231 . 0 0 "[ . 1 ]" 1
105 1 11 A H4' 1 11 A H8 5.950 5.800 6.450 5.547 5.234 5.772 0.566 10 1 "[ . + ]" 1
106 1 2 G H8 1 3 A H8 5.850 5.370 6.350 5.342 5.231 5.511 0.139 5 0 "[ . 1 ]" 1
107 1 3 A H1' 1 4 C H6 5.000 4.400 5.500 5.251 5.224 5.273 . 0 0 "[ . 1 ]" 1
108 1 4 C H5 1 4 C H6 2.800 2.200 3.300 2.512 2.489 2.532 . 0 0 "[ . 1 ]" 1
109 1 5 U H5 1 5 U H6 2.620 2.020 3.220 2.374 2.357 2.412 . 0 0 "[ . 1 ]" 1
110 1 5 U H1' 1 6 A H8 5.220 4.720 5.720 5.017 4.761 5.184 . 0 0 "[ . 1 ]" 1
111 1 7 G H1' 1 8 C H6 4.230 3.630 4.730 4.440 3.186 4.653 0.444 6 0 "[ . 1 ]" 1
112 1 7 G H4' 1 8 C H5 4.250 3.250 4.750 5.014 4.530 5.223 0.473 9 0 "[ . 1 ]" 1
113 1 7 G H8 1 8 C H5 4.300 3.300 4.800 3.592 3.239 4.703 0.061 10 0 "[ . 1 ]" 1
114 1 8 C H5 1 8 C H6 2.850 2.250 3.350 2.369 2.354 2.442 . 0 0 "[ . 1 ]" 1
115 1 9 G H1' 1 10 G H8 5.330 4.730 5.830 4.753 4.527 5.046 0.203 11 0 "[ . 1 ]" 1
116 1 9 G H8 1 10 G H8 6.350 5.750 6.850 6.296 6.165 6.415 . 0 0 "[ . 1 ]" 1
117 1 11 A H2 1 11 A H3' 5.980 5.380 6.480 6.824 6.213 7.201 0.721 2 4 "[*+ .-* 1 ]" 1
118 1 11 A H2 1 11 A H8 5.970 5.370 6.470 6.185 6.082 6.319 . 0 0 "[ . 1 ]" 1
119 1 11 A H2 1 12 G H4' 4.880 4.000 5.380 6.101 5.417 7.075 1.695 5 8 "[* * +*-* **]" 1
120 1 12 G H1' 1 12 G H4' 4.880 4.000 5.380 3.824 3.619 3.931 0.381 6 0 "[ . 1 ]" 1
121 1 12 G H3' 1 12 G H8 5.260 4.000 5.760 4.735 3.761 5.318 0.239 1 0 "[ . 1 ]" 1
122 1 13 G H1' 1 13 G H3' 4.340 3.740 4.840 3.831 3.796 3.876 . 0 0 "[ . 1 ]" 1
123 1 14 C H5 1 14 C H6 2.830 2.230 3.330 2.385 2.372 2.399 . 0 0 "[ . 1 ]" 1
124 1 15 U H5 1 15 U H6 2.880 2.280 3.380 2.427 2.356 2.476 . 0 0 "[ . 1 ]" 1
125 1 16 A H1' 1 17 G H8 4.010 3.410 4.510 4.672 4.563 4.726 0.216 6 0 "[ . 1 ]" 1
126 1 17 G H1' 1 17 G H8 3.960 3.360 4.460 3.833 3.763 3.868 . 0 0 "[ . 1 ]" 1
127 1 17 G H1' 1 18 U H6 4.040 3.440 4.540 4.196 4.085 4.285 . 0 0 "[ . 1 ]" 1
128 1 17 G H8 1 18 U H6 5.790 5.220 6.290 5.672 5.475 5.829 . 0 0 "[ . 1 ]" 1
129 1 18 U H5 1 18 U H6 2.870 2.270 3.370 2.422 2.411 2.433 . 0 0 "[ . 1 ]" 1
130 1 18 U H6 1 19 C H6 4.430 3.830 4.930 4.667 4.584 4.734 . 0 0 "[ . 1 ]" 1
131 1 18 U H4' 1 19 C H5 5.260 4.660 5.760 5.606 5.482 5.712 . 0 0 "[ . 1 ]" 1
132 1 18 U H6 1 19 C H5 4.780 4.280 5.280 4.052 3.952 4.127 0.328 9 0 "[ . 1 ]" 1
133 1 19 C H5 1 19 C H6 2.850 2.250 3.350 2.345 2.324 2.374 . 0 0 "[ . 1 ]" 1
134 1 20 C H5 1 20 C H6 2.830 2.230 3.330 2.355 2.335 2.367 . 0 0 "[ . 1 ]" 1
135 1 17 G H3' 1 19 C H5 90.000 4.500 90.500 6.012 5.123 6.585 . 0 0 "[ . 1 ]" 1
136 1 3 A H4' 1 4 C H5 90.000 4.500 90.500 6.760 6.356 7.042 . 0 0 "[ . 1 ]" 1
137 1 11 A H2 1 12 G H1' 90.000 4.500 90.500 7.062 5.271 8.790 . 0 0 "[ . 1 ]" 1
138 1 11 A H2 1 13 G H1' 90.000 4.500 90.500 4.894 4.293 8.149 0.207 8 0 "[ . 1 ]" 1
139 1 11 A H2 1 13 G H4' 90.000 4.500 90.500 5.660 4.591 9.309 . 0 0 "[ . 1 ]" 1
140 1 11 A H2 1 12 G H3' 90.000 4.500 90.500 4.906 4.318 6.787 0.182 6 0 "[ . 1 ]" 1
141 1 1 G H1' 1 2 G H4' 90.000 4.500 90.500 6.073 5.970 6.246 . 0 0 "[ . 1 ]" 1
142 1 6 A H3' 1 7 G H1' 90.000 4.500 90.500 5.968 5.631 6.743 . 0 0 "[ . 1 ]" 1
143 1 8 C H1' 1 9 G H4' 90.000 4.500 90.500 8.576 7.446 9.482 . 0 0 "[ . 1 ]" 1
144 1 10 G H3' 1 11 A H1' 90.000 4.500 90.500 5.850 5.082 6.437 . 0 0 "[ . 1 ]" 1
145 1 11 A H1' 1 12 G H4' 90.000 4.500 90.500 4.744 4.186 7.584 0.314 3 0 "[ . 1 ]" 1
146 1 11 A H1' 1 12 G H3' 90.000 4.500 90.500 4.604 4.154 5.361 0.346 3 0 "[ . 1 ]" 1
147 1 12 G H1' 1 13 G H4' 90.000 4.500 90.500 6.771 5.724 7.423 . 0 0 "[ . 1 ]" 1
148 1 11 A H3' 1 13 G H1' 90.000 4.500 90.500 7.614 6.672 8.653 . 0 0 "[ . 1 ]" 1
149 1 12 G H4' 1 13 G H1' 90.000 4.500 90.500 6.643 5.931 7.996 . 0 0 "[ . 1 ]" 1
150 1 12 G H3' 1 13 G H1' 90.000 4.500 90.500 4.718 4.396 6.680 0.104 10 0 "[ . 1 ]" 1
151 1 10 G H8 1 11 A H1' 90.000 4.500 90.500 6.893 6.127 8.330 . 0 0 "[ . 1 ]" 1
152 1 11 A H1' 1 12 G H8 90.000 4.500 90.500 6.114 4.142 7.512 0.358 2 0 "[ . 1 ]" 1
153 1 11 A H1' 1 13 G H8 90.000 4.500 90.500 5.362 4.552 5.845 . 0 0 "[ . 1 ]" 1
154 1 11 A H2 1 12 G H8 90.000 4.500 90.500 6.093 4.398 8.070 0.102 6 0 "[ . 1 ]" 1
155 1 11 A H2 1 13 G H8 90.000 4.500 90.500 6.986 5.772 8.935 . 0 0 "[ . 1 ]" 1
156 1 11 A H8 1 12 G H3' 90.000 4.500 90.500 7.794 7.349 8.191 . 0 0 "[ . 1 ]" 1
157 1 1 G H4' 1 2 G H8 90.000 4.500 90.500 5.477 5.314 5.712 . 0 0 "[ . 1 ]" 1
158 1 16 A H4' 1 17 G H8 90.000 4.500 90.500 5.215 4.861 5.395 . 0 0 "[ . 1 ]" 1
159 1 11 A H4' 1 12 G H1' 90.000 4.500 90.500 6.917 5.476 8.171 . 0 0 "[ . 1 ]" 1
160 1 11 A H3' 1 12 G H1' 90.000 4.500 90.500 8.462 7.514 9.407 . 0 0 "[ . 1 ]" 1
161 1 12 G H1' 1 13 G H1' 90.000 4.500 90.500 8.317 7.190 9.541 . 0 0 "[ . 1 ]" 1
162 1 11 A H2 1 11 A H4' 90.000 4.500 90.500 5.060 4.577 5.466 . 0 0 "[ . 1 ]" 1
163 1 8 C H5 1 12 G H8 90.000 4.500 90.500 15.504 13.707 17.541 . 0 0 "[ . 1 ]" 1
164 1 9 G H8 1 11 A H8 90.000 4.500 90.500 4.988 4.447 5.491 0.053 4 0 "[ . 1 ]" 1
165 1 9 G H3' 1 11 A H8 90.000 4.500 90.500 6.260 5.463 7.142 . 0 0 "[ . 1 ]" 1
166 1 11 A H8 1 12 G H1' 90.000 4.500 90.500 10.655 9.762 11.472 . 0 0 "[ . 1 ]" 1
167 1 11 A H8 1 12 G H8 90.000 4.500 90.500 9.115 6.962 11.000 . 0 0 "[ . 1 ]" 1
168 1 12 G H8 1 13 G H1' 90.000 4.500 90.500 8.483 4.967 10.411 . 0 0 "[ . 1 ]" 1
169 1 12 G H8 1 13 G H8 90.000 4.500 90.500 8.029 6.450 8.518 . 0 0 "[ . 1 ]" 1
170 1 9 G H1' 1 10 G H1' 90.000 4.500 90.500 6.976 5.999 8.689 . 0 0 "[ . 1 ]" 1
171 1 9 G H3' 1 10 G H1' 90.000 4.500 90.500 6.744 6.304 7.264 . 0 0 "[ . 1 ]" 1
172 1 10 G H1' 1 11 A H4' 90.000 4.500 90.500 6.669 5.076 7.999 . 0 0 "[ . 1 ]" 1
173 1 10 G H1' 1 11 A H1' 90.000 4.500 90.500 7.262 5.935 8.574 . 0 0 "[ . 1 ]" 1
174 1 10 G H1' 1 13 G H1' 90.000 4.500 90.500 10.449 9.748 12.324 . 0 0 "[ . 1 ]" 1
175 1 10 G H4' 1 13 G H1' 90.000 4.500 90.500 11.750 11.321 12.311 . 0 0 "[ . 1 ]" 1
176 1 10 G H3' 1 13 G H1' 90.000 4.500 90.500 9.194 8.806 9.702 . 0 0 "[ . 1 ]" 1
177 1 9 G H8 1 10 G H1' 90.000 4.500 90.500 7.788 7.276 9.056 . 0 0 "[ . 1 ]" 1
178 1 10 G H8 1 11 A H4' 90.000 4.500 90.500 7.604 6.374 8.901 . 0 0 "[ . 1 ]" 1
179 1 10 G H8 1 11 A H8 90.000 4.500 90.500 5.664 4.242 6.744 0.258 4 0 "[ . 1 ]" 1
180 1 10 G H8 1 11 A H3' 90.000 4.500 90.500 8.108 7.608 8.640 . 0 0 "[ . 1 ]" 1
181 1 10 G H8 1 13 G H1' 90.000 4.500 90.500 8.855 7.898 10.483 . 0 0 "[ . 1 ]" 1
182 1 11 A H3' 1 12 G H8 90.000 4.500 90.500 6.606 5.105 8.234 . 0 0 "[ . 1 ]" 1
183 1 10 G H3' 1 11 A H2 90.000 4.500 90.500 7.507 6.861 8.046 . 0 0 "[ . 1 ]" 1
184 1 9 G H8 1 11 A H3' 90.000 4.500 90.500 8.507 7.150 10.176 . 0 0 "[ . 1 ]" 1
185 1 9 G H4' 1 10 G H8 90.000 4.500 90.500 7.213 5.850 8.063 . 0 0 "[ . 1 ]" 1
186 1 9 G H4' 1 11 A H8 90.000 4.500 90.500 8.581 7.326 9.334 . 0 0 "[ . 1 ]" 1
187 1 9 G H1' 1 11 A H8 90.000 4.500 90.500 6.784 4.663 8.036 . 0 0 "[ . 1 ]" 1
188 1 19 C H5 1 20 C H5 90.000 4.500 90.500 4.389 4.323 4.455 0.177 3 0 "[ . 1 ]" 1
189 1 4 C H3' 1 4 C H5 6.000 . 6.500 4.491 4.300 4.695 . 0 0 "[ . 1 ]" 1
190 1 5 U H3' 1 5 U H5 6.000 . 6.500 4.379 4.194 4.536 . 0 0 "[ . 1 ]" 1
191 1 14 C H6 1 15 U H6 6.000 . 6.500 5.260 5.082 5.429 . 0 0 "[ . 1 ]" 1
192 1 19 C H6 1 20 C H6 6.000 . 6.500 5.324 5.135 5.662 . 0 0 "[ . 1 ]" 1
193 1 6 A H3' 1 6 A H8 6.000 . 6.500 2.835 2.515 4.721 . 0 0 "[ . 1 ]" 1
194 1 16 A H3' 1 16 A H8 6.000 . 6.500 3.368 3.115 3.600 . 0 0 "[ . 1 ]" 1
195 1 5 U H3' 1 6 A H8 6.000 . 6.500 3.616 3.420 3.765 . 0 0 "[ . 1 ]" 1
196 1 15 U H3' 1 16 A H8 6.000 . 6.500 4.658 2.999 5.546 . 0 0 "[ . 1 ]" 1
197 1 20 C H3' 1 20 C H6 6.000 . 6.500 2.326 2.224 2.537 . 0 0 "[ . 1 ]" 1
198 1 20 C H4' 1 20 C H6 6.000 . 6.500 4.134 4.020 4.317 . 0 0 "[ . 1 ]" 1
199 1 17 G H3' 1 18 U H6 6.000 . 6.500 3.980 3.689 4.106 . 0 0 "[ . 1 ]" 1
200 1 2 G H3' 1 2 G H8 6.000 . 6.500 2.640 2.436 3.030 . 0 0 "[ . 1 ]" 1
201 1 2 G H4' 1 2 G H8 6.000 . 6.500 4.206 4.090 4.342 . 0 0 "[ . 1 ]" 1
202 1 17 G H3' 1 17 G H8 6.000 . 6.500 2.798 2.591 3.162 . 0 0 "[ . 1 ]" 1
203 1 3 A H1' 1 3 A H3' 6.000 . 6.500 3.767 3.741 3.787 . 0 0 "[ . 1 ]" 1
204 1 6 A H1' 1 6 A H4' 6.000 . 6.500 3.362 3.309 3.454 . 0 0 "[ . 1 ]" 1
205 1 2 G H1' 1 2 G H3' 6.000 . 6.500 3.770 3.702 3.836 . 0 0 "[ . 1 ]" 1
206 1 2 G H1' 1 2 G H4' 6.000 . 6.500 3.445 3.391 3.501 . 0 0 "[ . 1 ]" 1
207 1 20 C H1' 1 20 C H3' 6.000 . 6.500 3.791 3.762 3.811 . 0 0 "[ . 1 ]" 1
208 1 20 C H1' 1 20 C H4' 6.000 . 6.500 3.210 2.914 3.383 . 0 0 "[ . 1 ]" 1
209 1 20 C H3' 1 20 C H5 6.000 . 6.500 4.172 3.907 4.536 . 0 0 "[ . 1 ]" 1
210 1 20 C H4' 1 20 C H5 6.000 . 6.500 6.446 6.352 6.625 0.125 10 0 "[ . 1 ]" 1
211 1 18 U H3' 1 19 C H5 6.000 . 6.500 2.843 2.662 3.539 . 0 0 "[ . 1 ]" 1
212 1 19 C H1' 1 19 C H4' 6.000 . 6.500 3.223 2.879 3.345 . 0 0 "[ . 1 ]" 1
213 1 19 C H1' 1 19 C H3' 6.000 . 6.500 3.940 3.766 4.042 . 0 0 "[ . 1 ]" 1
214 1 7 G H1' 1 7 G H4' 6.000 . 6.500 3.458 2.884 3.560 . 0 0 "[ . 1 ]" 1
215 1 9 G H1' 1 9 G H4' 6.000 . 6.500 3.477 2.979 3.743 . 0 0 "[ . 1 ]" 1
216 1 7 G H1' 1 7 G H3' 6.000 . 6.500 3.689 3.602 3.867 . 0 0 "[ . 1 ]" 1
217 1 9 G H1' 1 9 G H3' 6.000 . 6.500 3.969 3.912 4.029 . 0 0 "[ . 1 ]" 1
218 1 5 U H1' 1 5 U H3' 6.000 . 6.500 3.791 3.760 3.821 . 0 0 "[ . 1 ]" 1
219 1 15 U H1' 1 15 U H3' 6.000 . 6.500 3.753 3.723 3.775 . 0 0 "[ . 1 ]" 1
220 1 17 G H3' 1 18 U H5 6.000 . 6.500 3.470 3.218 3.742 . 0 0 "[ . 1 ]" 1
221 1 10 G H3' 1 10 G H8 6.000 . 6.500 4.533 2.454 5.220 . 0 0 "[ . 1 ]" 1
222 1 7 G H3' 1 8 C H6 6.000 . 6.500 3.053 2.502 4.902 . 0 0 "[ . 1 ]" 1
223 1 8 C H3' 1 8 C H6 6.000 . 6.500 2.281 2.127 2.440 . 0 0 "[ . 1 ]" 1
224 1 8 C H4' 1 8 C H6 6.000 . 6.500 3.977 3.796 4.058 . 0 0 "[ . 1 ]" 1
225 1 8 C H1' 1 8 C H4' 6.000 . 6.500 3.360 3.294 3.500 . 0 0 "[ . 1 ]" 1
226 1 8 C H1' 1 8 C H3' 6.000 . 6.500 3.750 3.708 3.794 . 0 0 "[ . 1 ]" 1
227 1 7 G H3' 1 7 G H8 6.000 . 6.500 2.827 2.293 4.855 . 0 0 "[ . 1 ]" 1
228 1 18 U H3' 1 18 U H6 6.000 . 6.500 3.238 2.933 4.015 . 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 21
_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 ]"
1 2 G 0.000 0.000 . 0 "[ . 1 ]"
1 3 A 0.000 0.000 . 0 "[ . 1 ]"
1 4 C 0.000 0.000 . 0 "[ . 1 ]"
1 5 U 0.000 0.000 . 0 "[ . 1 ]"
1 6 A 0.000 0.000 . 0 "[ . 1 ]"
1 7 G 0.000 0.000 . 0 "[ . 1 ]"
1 8 C 0.000 0.000 . 0 "[ . 1 ]"
1 13 G 0.000 0.000 . 0 "[ . 1 ]"
1 14 C 0.000 0.000 . 0 "[ . 1 ]"
1 15 U 0.000 0.000 . 0 "[ . 1 ]"
1 16 A 0.000 0.000 . 0 "[ . 1 ]"
1 17 G 0.000 0.000 . 0 "[ . 1 ]"
1 18 U 0.000 0.000 . 0 "[ . 1 ]"
1 19 C 0.000 0.000 . 0 "[ . 1 ]"
1 20 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 O6 1 20 C N4 3.010 2.810 3.510 3.085 2.992 3.120 . 0 0 "[ . 1 ]" 2
2 1 1 G N1 1 20 C N3 3.050 2.550 3.550 2.971 2.928 3.013 . 0 0 "[ . 1 ]" 2
3 1 1 G N2 1 20 C O2 2.960 2.760 3.460 3.027 2.944 3.141 . 0 0 "[ . 1 ]" 2
4 1 2 G O6 1 19 C N4 3.010 2.810 3.510 3.035 2.978 3.093 . 0 0 "[ . 1 ]" 2
5 1 2 G N1 1 19 C N3 3.050 2.550 3.550 3.045 3.022 3.076 . 0 0 "[ . 1 ]" 2
6 1 2 G N2 1 19 C O2 2.960 2.760 3.460 2.933 2.898 3.003 . 0 0 "[ . 1 ]" 2
7 1 4 C N4 1 17 G O6 3.010 2.810 3.510 3.083 3.023 3.126 . 0 0 "[ . 1 ]" 2
8 1 4 C N3 1 17 G N1 3.050 2.550 3.550 2.909 2.849 2.960 . 0 0 "[ . 1 ]" 2
9 1 4 C O2 1 17 G N2 2.960 2.760 3.460 2.983 2.928 3.032 . 0 0 "[ . 1 ]" 2
10 1 7 G O6 1 14 C N4 3.010 2.810 3.510 2.941 2.890 3.024 . 0 0 "[ . 1 ]" 2
11 1 7 G N1 1 14 C N3 3.050 2.550 3.550 2.957 2.920 2.991 . 0 0 "[ . 1 ]" 2
12 1 7 G N2 1 14 C O2 2.960 2.760 3.460 3.014 2.908 3.101 . 0 0 "[ . 1 ]" 2
13 1 3 A N6 1 18 U O4 3.050 2.550 3.550 2.794 2.773 2.842 . 0 0 "[ . 1 ]" 2
14 1 3 A N1 1 18 U N3 2.920 2.720 3.420 3.055 2.954 3.101 . 0 0 "[ . 1 ]" 2
15 1 5 U O4 1 16 A N6 3.050 2.550 3.550 2.896 2.828 2.995 . 0 0 "[ . 1 ]" 2
16 1 5 U N3 1 16 A N1 2.920 2.720 3.420 3.006 2.942 3.073 . 0 0 "[ . 1 ]" 2
17 1 6 A N6 1 15 U O4 3.050 2.550 3.550 2.862 2.824 2.923 . 0 0 "[ . 1 ]" 2
18 1 6 A N1 1 15 U N3 2.920 2.720 3.420 3.152 3.046 3.256 . 0 0 "[ . 1 ]" 2
19 1 8 C N4 1 13 G O6 3.010 2.810 3.510 3.082 3.027 3.135 . 0 0 "[ . 1 ]" 2
20 1 8 C N3 1 13 G N1 3.050 2.550 3.550 3.014 2.973 3.058 . 0 0 "[ . 1 ]" 2
21 1 8 C O2 1 13 G N2 2.960 2.760 3.460 2.847 2.790 2.912 . 0 0 "[ . 1 ]" 2
stop_
save_
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