NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369465 |
1bce   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bce
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 276
_Distance_constraint_stats_list.Viol_count 643
_Distance_constraint_stats_list.Viol_total 319.049
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0446
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0496
_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 DA 3.085 0.098 3 0 "[ . 1]"
1 2 DA 7.752 0.207 3 0 "[ . 1]"
1 3 DG 8.243 0.967 3 4 "[**+ . - 1]"
1 4 DG 3.037 0.144 9 0 "[ . 1]"
1 5 DA 2.375 0.144 9 0 "[ . 1]"
1 6 DA 1.899 0.083 1 0 "[ . 1]"
2 1 DT 1.459 0.075 7 0 "[ . 1]"
2 2 DT 0.677 0.061 7 0 "[ . 1]"
2 3 DC 0.424 0.038 9 0 "[ . 1]"
2 4 DC 3.123 0.488 9 0 "[ . 1]"
2 5 DT 4.438 0.122 10 0 "[ . 1]"
2 6 DT 3.845 0.122 10 0 "[ . 1]"
3 1 DT 0.469 0.062 8 0 "[ . 1]"
3 2 DT 1.058 0.046 7 0 "[ . 1]"
3 3 DC 3.828 0.488 9 0 "[ . 1]"
3 4 DC 4.698 0.967 3 4 "[**+ . - 1]"
3 5 DT 1.224 0.102 9 0 "[ . 1]"
3 6 DT 0.283 0.019 10 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 DA H2 2 6 DT H3 . . 3.000 3.061 3.054 3.068 0.068 7 0 "[ . 1]" 1
2 1 2 DA H2 2 6 DT H3 . . 3.500 3.525 3.518 3.534 0.034 9 0 "[ . 1]" 1
3 1 2 DA H2 2 5 DT H3 . . 3.000 3.044 3.031 3.062 0.062 3 0 "[ . 1]" 1
4 1 2 DA H61 2 5 DT H3 . . 3.000 2.184 2.108 2.230 . 0 0 "[ . 1]" 1
5 2 4 DC H41 2 5 DT H3 . 3.000 5.000 3.893 3.731 4.079 . 0 0 "[ . 1]" 1
6 1 3 DG H1 2 4 DC H41 . . 3.000 3.023 3.007 3.037 0.037 10 0 "[ . 1]" 1
7 1 2 DA H61 1 3 DG H1 . 3.000 5.000 3.733 3.641 3.888 . 0 0 "[ . 1]" 1
8 1 2 DA H2 1 3 DG H1 . 3.000 5.000 4.748 4.559 4.905 . 0 0 "[ . 1]" 1
9 1 4 DG H1 2 3 DC H41 . . 3.000 2.544 1.992 3.011 0.011 10 0 "[ . 1]" 1
10 1 4 DG H1 2 4 DC H41 . 3.000 5.000 4.005 3.799 4.152 . 0 0 "[ . 1]" 1
11 1 4 DG H1 1 5 DA H2 . 3.000 5.000 3.710 3.464 3.877 . 0 0 "[ . 1]" 1
12 2 2 DT H3 2 3 DC H41 . 3.000 5.000 3.847 3.529 4.064 . 0 0 "[ . 1]" 1
13 1 6 DA H2 2 2 DT H3 . . 3.500 3.490 3.353 3.511 0.011 8 0 "[ . 1]" 1
14 1 5 DA H61 2 2 DT H3 . . 3.500 2.237 2.172 2.321 . 0 0 "[ . 1]" 1
15 1 5 DA H2 2 2 DT H3 . . 3.000 3.017 3.004 3.027 0.027 5 0 "[ . 1]" 1
16 1 6 DA H61 2 1 DT H3 . . 3.500 2.245 2.108 2.331 . 0 0 "[ . 1]" 1
17 1 6 DA H2 2 1 DT H3 . . 3.000 3.006 2.985 3.015 0.015 6 0 "[ . 1]" 1
18 1 1 DA H8 3 1 DT H3 . . 3.500 3.339 2.757 3.501 0.001 6 0 "[ . 1]" 1
19 1 1 DA H8 3 2 DT H3 . 3.000 5.000 4.240 4.154 4.275 . 0 0 "[ . 1]" 1
20 1 2 DA H62 3 2 DT H3 . . 3.500 2.027 2.003 2.081 . 0 0 "[ . 1]" 1
21 1 2 DA H8 3 2 DT H3 . . 3.500 3.538 3.526 3.546 0.046 7 0 "[ . 1]" 1
22 3 2 DT H3 3 3 DC H41 . 3.000 5.000 3.619 3.287 3.885 . 0 0 "[ . 1]" 1
23 3 3 DC N3 3 4 DC H41 . 3.000 6.000 3.942 3.557 4.237 . 0 0 "[ . 1]" 1
24 1 2 DA H8 3 3 DC N3 . 3.000 6.000 3.911 3.581 4.163 . 0 0 "[ . 1]" 1
25 1 3 DG H8 3 3 DC N3 . . 4.500 3.917 3.755 4.092 . 0 0 "[ . 1]" 1
26 1 5 DA H62 3 4 DC N3 . 3.000 6.000 4.143 3.932 4.369 . 0 0 "[ . 1]" 1
27 1 3 DG H8 3 4 DC N3 . 3.000 6.000 3.813 3.542 4.034 . 0 0 "[ . 1]" 1
28 1 4 DG H8 3 4 DC N3 . . 4.500 4.214 4.050 4.397 . 0 0 "[ . 1]" 1
29 1 5 DA H62 3 5 DT H3 . . 3.500 2.580 2.507 2.655 . 0 0 "[ . 1]" 1
30 1 5 DA H8 3 5 DT H3 . . 3.000 3.072 3.059 3.102 0.102 9 0 "[ . 1]" 1
31 1 4 DG H8 3 5 DT H3 . 3.000 5.000 4.188 3.931 4.506 . 0 0 "[ . 1]" 1
32 3 4 DC H41 3 5 DT H3 . 3.000 5.000 4.540 4.267 4.834 . 0 0 "[ . 1]" 1
33 1 6 DA H8 3 6 DT H3 . . 3.500 3.510 3.501 3.519 0.019 10 0 "[ . 1]" 1
34 1 6 DA H62 3 6 DT H3 . . 3.500 2.091 2.057 2.155 . 0 0 "[ . 1]" 1
35 1 5 DA H8 3 6 DT H3 . 3.000 5.000 4.164 3.964 4.452 . 0 0 "[ . 1]" 1
36 3 3 DC H42 3 4 DC H41 . 3.000 5.000 4.037 3.542 4.407 . 0 0 "[ . 1]" 1
37 3 3 DC H41 3 4 DC H41 . 3.000 5.000 3.480 3.038 3.889 . 0 0 "[ . 1]" 1
38 3 3 DC H42 3 4 DC H42 . 3.000 5.000 4.118 3.474 4.616 . 0 0 "[ . 1]" 1
39 3 3 DC H41 3 4 DC H42 . 3.000 5.000 4.161 3.723 4.584 . 0 0 "[ . 1]" 1
40 2 3 DC H41 3 4 DC H41 . . 3.500 2.873 2.432 3.189 . 0 0 "[ . 1]" 1
41 2 3 DC H41 3 4 DC H42 . 3.000 5.000 3.902 3.352 4.358 . 0 0 "[ . 1]" 1
42 1 5 DA H62 3 4 DC H41 . . 5.000 2.926 2.594 3.145 . 0 0 "[ . 1]" 1
43 1 5 DA H62 3 4 DC H42 . . 5.000 3.937 3.508 4.217 . 0 0 "[ . 1]" 1
44 2 4 DC H41 3 3 DC H42 . . 3.500 3.279 3.034 3.581 0.081 1 0 "[ . 1]" 1
45 2 4 DC H41 3 3 DC H41 . 3.000 5.000 2.787 2.512 3.061 0.488 9 0 "[ . 1]" 1
46 2 3 DC H41 3 3 DC H42 . . 3.500 3.169 2.802 3.511 0.011 4 0 "[ . 1]" 1
47 2 3 DC H41 3 3 DC H41 . . 3.500 2.964 2.770 3.181 . 0 0 "[ . 1]" 1
48 2 3 DC H42 3 3 DC H42 . 3.000 5.000 2.976 2.962 2.990 0.038 9 0 "[ . 1]" 1
49 2 3 DC H42 3 3 DC H41 . 3.000 5.000 3.670 3.191 4.073 . 0 0 "[ . 1]" 1
50 1 2 DA H61 3 3 DC H42 . 3.000 5.000 4.380 3.941 4.874 . 0 0 "[ . 1]" 1
51 1 2 DA H61 3 3 DC H41 . 3.000 5.000 3.727 3.558 3.981 . 0 0 "[ . 1]" 1
52 1 2 DA H62 3 3 DC H42 . 3.000 5.000 3.432 2.994 3.973 0.006 2 0 "[ . 1]" 1
53 1 2 DA H62 3 3 DC H41 . 3.000 5.000 3.147 2.988 3.410 0.012 10 0 "[ . 1]" 1
54 2 4 DC H42 3 3 DC H42 . 3.000 5.000 3.567 3.446 3.865 . 0 0 "[ . 1]" 1
55 2 4 DC H42 3 3 DC H41 . 3.000 5.000 3.880 3.503 4.296 . 0 0 "[ . 1]" 1
56 1 2 DA H61 2 4 DC H41 . . 3.500 2.387 2.183 2.694 . 0 0 "[ . 1]" 1
57 1 2 DA H62 2 4 DC H41 . . 3.500 3.054 2.871 3.350 . 0 0 "[ . 1]" 1
58 2 3 DC H42 2 4 DC H41 . 3.000 5.000 4.210 3.678 4.577 . 0 0 "[ . 1]" 1
59 2 3 DC H41 2 4 DC H42 . 3.000 5.000 3.792 3.579 4.094 . 0 0 "[ . 1]" 1
60 1 1 DA H2' 3 2 DT H3 . 3.000 5.500 4.473 4.422 4.530 . 0 0 "[ . 1]" 1
61 1 1 DA H2'' 3 2 DT H3 . 3.000 5.500 5.134 5.104 5.174 . 0 0 "[ . 1]" 1
62 1 2 DA H2' 3 2 DT H3 . 3.000 5.500 5.456 5.403 5.489 . 0 0 "[ . 1]" 1
63 1 2 DA H2'' 3 3 DC N3 . 3.000 6.500 5.012 4.552 5.380 . 0 0 "[ . 1]" 1
64 1 3 DG H2' 3 4 DC N3 . 3.000 6.500 4.544 4.129 4.753 . 0 0 "[ . 1]" 1
65 1 1 DA H2'' 1 1 DA H8 . 2.550 5.520 3.889 3.879 3.898 . 0 0 "[ . 1]" 1
66 1 1 DA H2 1 2 DA H1' . 3.880 4.710 3.889 3.876 3.924 0.004 6 0 "[ . 1]" 1
67 1 2 DA H1' 1 2 DA H2'' . 2.110 2.470 2.441 2.423 2.453 . 0 0 "[ . 1]" 1
68 1 2 DA H1' 1 2 DA H2' . 2.480 3.060 3.056 3.049 3.061 0.001 1 0 "[ . 1]" 1
69 1 2 DA H1' 1 2 DA H3' . 3.080 4.920 3.941 3.932 3.952 . 0 0 "[ . 1]" 1
70 1 2 DA H1' 1 2 DA H4' . 2.170 2.750 2.714 2.648 2.762 0.012 9 0 "[ . 1]" 1
71 1 1 DA H2'' 1 2 DA H8 . 2.280 2.600 2.269 2.258 2.280 0.022 3 0 "[ . 1]" 1
72 1 1 DA H8 1 2 DA H8 . 2.290 4.610 4.468 4.411 4.535 . 0 0 "[ . 1]" 1
73 1 2 DA H1' 1 2 DA H8 . 2.550 4.580 3.888 3.876 3.909 . 0 0 "[ . 1]" 1
74 1 2 DA H2'' 1 2 DA H8 . 2.810 4.750 3.833 3.817 3.863 . 0 0 "[ . 1]" 1
75 1 2 DA H2' 1 2 DA H8 . . 2.290 2.337 2.325 2.350 0.060 7 0 "[ . 1]" 1
76 1 2 DA H3' 1 2 DA H8 . 3.250 5.940 4.020 3.915 4.074 . 0 0 "[ . 1]" 1
77 1 2 DA H4' 1 2 DA H8 . 3.900 4.550 4.675 4.659 4.683 0.133 8 0 "[ . 1]" 1
78 1 2 DA H1' 1 2 DA H2 . 3.730 4.110 4.277 4.270 4.289 0.179 9 0 "[ . 1]" 1
79 1 2 DA H2 1 3 DG H1' . 3.370 3.700 3.680 3.588 3.706 0.006 4 0 "[ . 1]" 1
80 1 3 DG H1' 1 3 DG H2'' . 2.080 2.370 2.382 2.373 2.397 0.027 10 0 "[ . 1]" 1
81 1 3 DG H1' 1 3 DG H2' . 2.720 3.640 2.993 2.977 3.001 . 0 0 "[ . 1]" 1
82 1 3 DG H1' 1 3 DG H3' . 2.900 3.750 3.776 3.754 3.790 0.040 5 0 "[ . 1]" 1
83 1 3 DG H1' 1 3 DG H4' . 2.430 2.980 2.630 2.450 2.995 0.015 10 0 "[ . 1]" 1
84 1 3 DG H2' 1 3 DG H4' . 2.920 3.740 3.778 3.757 3.793 0.053 2 0 "[ . 1]" 1
85 1 2 DA H1' 1 3 DG H8 . 2.410 4.650 3.783 3.700 3.911 . 0 0 "[ . 1]" 1
86 1 2 DA H2'' 1 3 DG H8 . 2.300 2.660 2.437 2.295 2.679 0.019 9 0 "[ . 1]" 1
87 1 2 DA H2' 1 3 DG H8 . 3.000 3.770 3.445 3.233 3.664 . 0 0 "[ . 1]" 1
88 1 2 DA H3' 1 3 DG H8 . 4.040 6.530 5.116 4.927 5.367 . 0 0 "[ . 1]" 1
89 1 2 DA H8 1 3 DG H8 . . 5.030 4.757 4.587 5.035 0.005 4 0 "[ . 1]" 1
90 1 3 DG H1' 1 3 DG H8 . 2.790 3.960 3.817 3.778 3.852 . 0 0 "[ . 1]" 1
91 1 3 DG H2'' 1 3 DG H8 . 3.160 5.380 4.004 3.981 4.044 . 0 0 "[ . 1]" 1
92 1 3 DG H2' 1 3 DG H8 . 2.170 2.430 2.538 2.515 2.569 0.139 5 0 "[ . 1]" 1
93 1 3 DG H3' 1 3 DG H8 . 3.200 5.660 4.221 4.038 4.465 . 0 0 "[ . 1]" 1
94 1 3 DG H4' 1 3 DG H8 . 3.620 6.030 4.567 4.413 4.698 . 0 0 "[ . 1]" 1
95 1 3 DG H1' 1 4 DG H8 . 2.330 5.190 4.186 4.074 4.332 . 0 0 "[ . 1]" 1
96 1 3 DG H2'' 1 4 DG H8 . 2.360 2.830 2.335 2.319 2.359 0.041 7 0 "[ . 1]" 1
97 1 3 DG H2' 1 4 DG H8 . 2.280 2.560 2.621 2.603 2.645 0.085 3 0 "[ . 1]" 1
98 1 3 DG H3' 1 4 DG H8 . 3.360 5.410 4.443 4.318 4.543 . 0 0 "[ . 1]" 1
99 1 3 DG H4' 1 4 DG H8 . 5.400 6.750 5.907 5.821 6.056 . 0 0 "[ . 1]" 1
100 1 4 DG H2'' 1 4 DG H8 . 2.830 5.310 3.843 3.789 3.902 . 0 0 "[ . 1]" 1
101 1 4 DG H2' 1 4 DG H8 . 2.040 2.360 2.421 2.400 2.452 0.092 3 0 "[ . 1]" 1
102 1 4 DG H3' 1 4 DG H8 . 3.150 5.660 4.278 4.074 4.465 . 0 0 "[ . 1]" 1
103 1 4 DG H2'' 1 5 DA H8 . 2.250 2.560 2.347 2.272 2.422 . 0 0 "[ . 1]" 1
104 1 4 DG H3' 1 5 DA H8 . 3.600 4.750 4.844 4.810 4.894 0.144 9 0 "[ . 1]" 1
105 1 5 DA H8 1 6 DA H8 . 3.190 5.060 4.313 4.185 4.468 . 0 0 "[ . 1]" 1
106 2 2 DT H6 2 3 DC H5 . 2.840 3.700 3.683 3.566 3.711 0.011 10 0 "[ . 1]" 1
107 2 3 DC H2' 2 3 DC H5 . 2.630 5.250 4.467 4.415 4.519 . 0 0 "[ . 1]" 1
108 2 4 DC H2' 2 4 DC H6 . . 2.260 2.267 2.240 2.280 0.020 9 0 "[ . 1]" 1
109 2 3 DC H2' 2 4 DC H5 . 3.000 4.120 3.491 3.302 3.612 . 0 0 "[ . 1]" 1
110 2 3 DC H6 2 4 DC H5 . 2.460 4.870 4.211 3.906 4.528 . 0 0 "[ . 1]" 1
111 2 4 DC H2' 2 4 DC H5 . 2.520 5.610 4.419 4.409 4.431 . 0 0 "[ . 1]" 1
112 1 2 DA H2 2 5 DT H1' . 3.860 4.700 4.765 4.751 4.774 0.074 10 0 "[ . 1]" 1
113 2 4 DC H3' 2 5 DT H6 . 3.160 5.270 5.261 5.129 5.318 0.048 10 0 "[ . 1]" 1
114 2 5 DT H1' 2 5 DT H6 . 2.970 4.570 3.695 3.692 3.698 . 0 0 "[ . 1]" 1
115 1 1 DA H2 2 6 DT H1' . 3.780 4.200 4.288 4.283 4.298 0.098 3 0 "[ . 1]" 1
116 1 2 DA H2 2 6 DT H1' . 3.690 4.140 4.134 4.074 4.157 0.017 4 0 "[ . 1]" 1
117 2 6 DT H1' 2 6 DT H6 . 3.220 4.540 3.855 3.837 3.865 . 0 0 "[ . 1]" 1
118 1 1 DA H8 3 2 DT H1' . 3.510 4.200 3.491 3.480 3.506 0.030 7 0 "[ . 1]" 1
119 1 2 DA H8 3 2 DT H1' . 4.110 4.800 4.830 4.817 4.844 0.044 7 0 "[ . 1]" 1
120 1 2 DA H8 3 3 DC H1' . 3.000 4.260 3.653 3.034 4.286 0.026 2 0 "[ . 1]" 1
121 1 3 DG H8 3 3 DC H1' . 4.210 6.790 5.274 4.772 5.815 . 0 0 "[ . 1]" 1
122 3 2 DT H1' 3 3 DC H6 . 3.520 4.840 3.947 3.584 4.150 . 0 0 "[ . 1]" 1
123 3 3 DC H1' 3 3 DC H6 . 3.080 3.920 3.704 3.680 3.727 . 0 0 "[ . 1]" 1
124 1 3 DG H8 3 4 DC H1' . 2.750 3.520 3.378 3.073 3.534 0.014 2 0 "[ . 1]" 1
125 1 4 DG H8 3 4 DC H1' . 4.450 5.550 4.939 4.760 5.184 . 0 0 "[ . 1]" 1
126 3 4 DC H1' 3 4 DC H3' . 2.370 4.030 3.845 3.800 3.902 . 0 0 "[ . 1]" 1
127 3 3 DC H1' 3 4 DC H6 . 2.890 5.230 3.731 3.365 4.054 . 0 0 "[ . 1]" 1
128 3 4 DC H1' 3 4 DC H6 . 2.740 3.920 3.694 3.654 3.733 . 0 0 "[ . 1]" 1
129 3 4 DC H3' 3 4 DC H6 . 2.430 4.110 4.014 3.665 4.170 0.060 5 0 "[ . 1]" 1
130 1 4 DG H8 3 5 DT H1' . 3.500 4.500 3.577 3.480 3.783 0.020 3 0 "[ . 1]" 1
131 1 5 DA H8 3 5 DT H1' . 4.350 6.000 5.088 4.962 5.212 . 0 0 "[ . 1]" 1
132 1 5 DA H8 3 6 DT H1' . 3.550 4.250 3.688 3.541 3.967 0.009 5 0 "[ . 1]" 1
133 3 6 DT H1' 3 6 DT H3' . 3.170 5.890 3.783 3.686 3.851 . 0 0 "[ . 1]" 1
134 3 6 DT H1' 3 6 DT H4' . 2.330 2.830 2.619 2.511 2.693 . 0 0 "[ . 1]" 1
135 3 5 DT H1' 3 6 DT H6 . 2.860 5.320 4.019 3.851 4.244 . 0 0 "[ . 1]" 1
136 3 6 DT H1' 3 6 DT H6 . 3.110 4.710 3.735 3.712 3.760 . 0 0 "[ . 1]" 1
137 3 6 DT H3' 3 6 DT H6 . 2.330 4.490 3.380 2.534 4.258 . 0 0 "[ . 1]" 1
138 1 1 DA H1' 1 1 DA H2'' . 2.030 2.410 2.391 2.384 2.396 . 0 0 "[ . 1]" 1
139 1 1 DA H1' 1 1 DA H8 . 2.780 4.480 3.863 3.853 3.874 . 0 0 "[ . 1]" 1
140 1 1 DA H1' 1 1 DA H2 . 3.910 5.080 4.699 4.682 4.710 . 0 0 "[ . 1]" 1
141 1 1 DA H1' 1 2 DA H8 . 2.590 4.120 3.893 3.808 3.990 . 0 0 "[ . 1]" 1
142 1 1 DA H2' 1 1 DA H8 . . 2.320 2.388 2.377 2.397 0.077 8 0 "[ . 1]" 1
143 1 1 DA H2' 1 2 DA H8 . 2.520 2.870 2.931 2.925 2.941 0.071 9 0 "[ . 1]" 1
144 1 1 DA H3' 1 1 DA H8 . 3.180 5.750 4.171 4.076 4.210 . 0 0 "[ . 1]" 1
145 1 1 DA H3' 1 2 DA H8 . 3.540 5.600 4.703 4.676 4.730 . 0 0 "[ . 1]" 1
146 1 4 DG H1' 1 4 DG H2'' . 2.130 2.410 2.425 2.422 2.432 0.022 3 0 "[ . 1]" 1
147 1 4 DG H1' 1 4 DG H2' . 2.420 3.150 3.015 2.999 3.023 . 0 0 "[ . 1]" 1
148 1 4 DG H1' 1 4 DG H3' . 2.620 3.940 3.764 3.738 3.789 . 0 0 "[ . 1]" 1
149 1 4 DG H1' 1 4 DG H8 . 2.580 4.100 3.918 3.897 3.934 . 0 0 "[ . 1]" 1
150 1 4 DG H1' 1 5 DA H8 . 2.610 5.060 3.947 3.813 4.088 . 0 0 "[ . 1]" 1
151 1 5 DA H1' 1 5 DA H8 . 3.290 3.820 3.843 3.823 3.854 0.034 10 0 "[ . 1]" 1
152 1 5 DA H1' 1 6 DA H8 . 3.710 5.120 4.211 4.065 4.457 . 0 0 "[ . 1]" 1
153 1 5 DA H2' 1 5 DA H8 . 2.550 3.730 2.537 2.512 2.585 0.038 5 0 "[ . 1]" 1
154 1 5 DA H2' 1 6 DA H8 . 2.500 2.970 2.942 2.919 2.957 . 0 0 "[ . 1]" 1
155 1 5 DA H3' 1 5 DA H8 . 3.090 4.350 4.293 4.174 4.418 0.068 9 0 "[ . 1]" 1
156 1 5 DA H3' 1 6 DA H8 . 3.500 5.280 4.839 4.643 4.929 . 0 0 "[ . 1]" 1
157 1 5 DA H2'' 1 6 DA H8 . 2.340 2.870 2.468 2.445 2.484 . 0 0 "[ . 1]" 1
158 1 6 DA H1' 1 6 DA H8 . 2.700 3.750 3.815 3.801 3.833 0.083 1 0 "[ . 1]" 1
159 1 6 DA H3' 1 6 DA H8 . 3.300 4.510 4.537 4.519 4.549 0.039 6 0 "[ . 1]" 1
160 1 6 DA H2 2 1 DT H1' . 3.850 4.720 4.760 4.753 4.766 0.046 6 0 "[ . 1]" 1
161 2 1 DT H1' 2 1 DT H6 . 3.130 4.370 3.722 3.711 3.737 . 0 0 "[ . 1]" 1
162 2 1 DT H1' 2 2 DT H6 . 2.730 4.600 3.818 3.441 4.107 . 0 0 "[ . 1]" 1
163 2 1 DT H2'' 2 1 DT H6 . . 4.710 3.628 3.597 3.666 . 0 0 "[ . 1]" 1
164 2 1 DT H2' 2 1 DT H6 . . 2.080 2.144 2.126 2.155 0.075 7 0 "[ . 1]" 1
165 2 1 DT H2' 2 2 DT H6 . 2.490 4.760 3.779 3.528 4.090 . 0 0 "[ . 1]" 1
166 2 1 DT H3' 2 1 DT H6 . 2.570 5.720 4.023 3.961 4.092 . 0 0 "[ . 1]" 1
167 2 1 DT H4' 2 1 DT H6 . 3.600 5.470 4.447 4.310 4.575 . 0 0 "[ . 1]" 1
168 2 3 DC H1' 2 3 DC H2' . 2.140 3.950 3.048 3.043 3.051 . 0 0 "[ . 1]" 1
169 2 3 DC H1' 2 4 DC H5 . 2.810 4.830 4.492 4.130 4.832 0.002 3 0 "[ . 1]" 1
170 2 2 DT H1' 2 3 DC H6 . 2.670 4.100 3.788 3.399 4.104 0.004 7 0 "[ . 1]" 1
171 2 2 DT H1' 2 3 DC H5 . 3.710 5.300 4.721 4.478 5.046 . 0 0 "[ . 1]" 1
172 2 3 DC H2'' 2 4 DC H5 . 2.500 3.590 3.062 2.619 3.462 . 0 0 "[ . 1]" 1
173 2 2 DT H2'' 2 3 DC H5 . 2.630 4.120 3.673 3.473 3.875 . 0 0 "[ . 1]" 1
174 2 2 DT H2' 2 3 DC H5 . 2.640 3.940 3.502 3.037 3.737 . 0 0 "[ . 1]" 1
175 2 4 DC H1' 2 4 DC H2'' . . 2.360 2.380 2.377 2.383 0.023 9 0 "[ . 1]" 1
176 2 4 DC H1' 2 4 DC H2' . 2.160 3.690 3.031 3.027 3.036 . 0 0 "[ . 1]" 1
177 2 4 DC H1' 2 4 DC H3' . 3.110 4.710 3.701 3.689 3.713 . 0 0 "[ . 1]" 1
178 2 4 DC H1' 2 5 DT H6 . 3.210 5.100 3.790 3.568 3.930 . 0 0 "[ . 1]" 1
179 2 3 DC H3' 2 4 DC H5 . 3.860 5.580 5.466 5.179 5.603 0.023 1 0 "[ . 1]" 1
180 2 5 DT H2' 2 5 DT H6 . . 2.280 2.380 2.355 2.395 0.115 10 0 "[ . 1]" 1
181 2 5 DT H2' 2 6 DT H6 . 2.380 3.070 3.176 3.143 3.192 0.122 10 0 "[ . 1]" 1
182 2 5 DT H3' 2 5 DT H6 . 2.610 4.350 3.680 3.440 3.802 . 0 0 "[ . 1]" 1
183 2 6 DT H2'' 2 6 DT H6 . 2.100 4.170 3.936 3.892 3.964 . 0 0 "[ . 1]" 1
184 3 1 DT H1' 3 1 DT H6 . 3.330 4.150 3.718 3.700 3.723 . 0 0 "[ . 1]" 1
185 3 1 DT H2'' 3 1 DT H6 . 2.130 4.850 3.573 3.558 3.598 . 0 0 "[ . 1]" 1
186 3 1 DT H2' 3 1 DT H6 . . 2.090 2.137 2.132 2.152 0.062 8 0 "[ . 1]" 1
187 3 1 DT H3' 3 1 DT H6 . 2.880 5.830 4.115 4.096 4.181 . 0 0 "[ . 1]" 1
188 3 1 DT H4' 3 1 DT H6 . 3.510 5.920 4.522 4.472 4.599 . 0 0 "[ . 1]" 1
189 3 2 DT H2'' 3 3 DC H6 . 2.200 2.670 2.469 2.315 2.620 . 0 0 "[ . 1]" 1
190 3 2 DT H2' 3 3 DC H6 . 2.750 3.720 3.221 3.104 3.356 . 0 0 "[ . 1]" 1
191 3 3 DC H2' 3 3 DC H6 . . 2.310 2.366 2.338 2.399 0.089 3 0 "[ . 1]" 1
192 3 3 DC H2' 3 3 DC H5 . 3.230 4.590 4.338 4.275 4.375 . 0 0 "[ . 1]" 1
193 3 3 DC H3' 3 4 DC H6 . 2.880 6.450 4.573 4.270 4.827 . 0 0 "[ . 1]" 1
194 3 3 DC H3' 3 4 DC H5 . 3.450 4.690 4.732 4.715 4.747 0.057 9 0 "[ . 1]" 1
195 3 3 DC H2'' 3 4 DC H5 . 2.330 4.680 2.799 2.326 3.581 0.004 4 0 "[ . 1]" 1
196 3 5 DT H3' 3 6 DT H6 . 4.350 5.140 4.953 4.827 5.125 . 0 0 "[ . 1]" 1
197 3 5 DT H2'' 3 6 DT H6 . . 2.890 2.372 2.289 2.471 . 0 0 "[ . 1]" 1
198 2 2 DT H3' 2 3 DC H5 . 3.720 5.900 5.727 5.239 5.907 0.007 4 0 "[ . 1]" 1
199 3 2 DT H6 3 3 DC H5 . 3.390 4.530 3.869 3.813 3.936 . 0 0 "[ . 1]" 1
200 1 6 DA H2' 1 6 DA H8 . . 2.600 2.635 2.611 2.658 0.058 10 0 "[ . 1]" 1
201 2 2 DT H3' 2 2 DT H6 . 3.000 5.000 4.207 3.909 4.385 . 0 0 "[ . 1]" 1
202 2 1 DT H3' 2 2 DT H6 . 3.000 5.000 5.036 5.006 5.061 0.061 7 0 "[ . 1]" 1
203 2 2 DT H2' 2 2 DT H6 . . 2.600 2.395 2.204 2.614 0.014 6 0 "[ . 1]" 1
204 2 1 DT H2'' 2 2 DT H6 . . 2.600 2.447 2.312 2.532 . 0 0 "[ . 1]" 1
205 2 3 DC H1' 2 3 DC H6 . 3.000 5.000 3.736 3.721 3.747 . 0 0 "[ . 1]" 1
206 2 2 DT H3' 2 3 DC H6 . 3.000 5.000 4.805 4.359 5.004 0.004 8 0 "[ . 1]" 1
207 2 3 DC H2' 2 3 DC H6 . . 2.600 2.391 2.282 2.543 . 0 0 "[ . 1]" 1
208 2 2 DT H2'' 2 3 DC H6 . . 3.500 2.244 2.160 2.368 . 0 0 "[ . 1]" 1
209 2 2 DT H2' 2 3 DC H6 . . 3.500 3.224 2.619 3.507 0.007 5 0 "[ . 1]" 1
210 2 4 DC H1' 2 4 DC H6 . 3.000 5.000 3.736 3.724 3.752 . 0 0 "[ . 1]" 1
211 2 3 DC H1' 2 4 DC H6 . 3.000 5.000 3.567 3.432 3.802 . 0 0 "[ . 1]" 1
212 2 4 DC H3' 2 4 DC H6 . 3.000 5.000 4.204 4.187 4.224 . 0 0 "[ . 1]" 1
213 2 3 DC H3' 2 4 DC H6 . 3.000 5.000 4.864 4.739 4.968 . 0 0 "[ . 1]" 1
214 2 3 DC H2'' 2 4 DC H6 . . 3.500 2.228 2.171 2.288 . 0 0 "[ . 1]" 1
215 2 4 DC H2'' 2 5 DT H6 . . 3.500 2.594 2.419 2.674 . 0 0 "[ . 1]" 1
216 2 6 DT H3' 2 6 DT H6 . 3.000 5.000 4.369 4.315 4.400 . 0 0 "[ . 1]" 1
217 2 5 DT H3' 2 6 DT H6 . 3.000 5.000 4.449 4.376 4.596 . 0 0 "[ . 1]" 1
218 2 6 DT H2' 2 6 DT H6 . . 2.600 2.515 2.443 2.555 . 0 0 "[ . 1]" 1
219 2 5 DT H2'' 2 6 DT H6 . . 3.500 2.388 2.327 2.503 . 0 0 "[ . 1]" 1
220 3 2 DT H1' 3 2 DT H6 . 3.000 5.000 3.738 3.714 3.750 . 0 0 "[ . 1]" 1
221 3 1 DT H1' 3 2 DT H6 . 3.000 5.000 3.610 3.530 3.896 . 0 0 "[ . 1]" 1
222 3 2 DT H3' 3 2 DT H6 . 3.000 5.000 4.028 3.746 4.554 . 0 0 "[ . 1]" 1
223 3 2 DT H3' 3 3 DC H6 . 3.000 5.000 5.004 4.879 5.026 0.026 10 0 "[ . 1]" 1
224 3 3 DC H3' 3 3 DC H6 . 3.000 5.000 3.969 3.457 4.306 . 0 0 "[ . 1]" 1
225 3 2 DT H1' 3 3 DC H5 . 3.000 5.000 4.961 4.869 5.010 0.010 4 0 "[ . 1]" 1
226 3 3 DC H2'' 3 4 DC H6 . . 3.500 2.163 2.070 2.364 . 0 0 "[ . 1]" 1
227 3 3 DC H1' 3 4 DC H5 . 3.000 5.000 4.500 4.073 4.954 . 0 0 "[ . 1]" 1
228 3 4 DC H1' 3 5 DT H6 . 3.000 5.000 4.081 3.594 4.578 . 0 0 "[ . 1]" 1
229 3 5 DT H1' 3 5 DT H6 . 3.000 5.000 3.725 3.709 3.737 . 0 0 "[ . 1]" 1
230 3 5 DT H3' 3 5 DT H6 . 3.000 5.000 4.219 4.070 4.407 . 0 0 "[ . 1]" 1
231 3 4 DC H3' 3 5 DT H6 . 3.000 5.000 4.595 4.286 4.933 . 0 0 "[ . 1]" 1
232 3 4 DC H2'' 3 5 DT H6 . . 3.500 2.260 2.117 2.418 . 0 0 "[ . 1]" 1
233 1 3 DG H4' 3 4 DC H1' . 3.000 6.500 6.022 5.437 6.506 0.006 1 0 "[ . 1]" 1
234 1 2 DA H1' 1 3 DG Q5' . 3.000 6.500 3.322 2.793 4.214 0.207 3 0 "[ . 1]" 1
235 1 3 DG Q5' 3 4 DC H1' . . 4.500 4.449 2.887 5.467 0.967 3 4 "[**+ . - 1]" 1
236 1 2 DA H1' 1 3 DG H1' . 3.000 5.000 4.611 4.439 4.792 . 0 0 "[ . 1]" 1
237 1 2 DA H1' 1 3 DG H4' . . 4.000 4.070 4.057 4.102 0.102 9 0 "[ . 1]" 1
238 3 6 DT H2' 3 6 DT H6 . . 2.600 2.453 2.180 2.618 0.018 2 0 "[ . 1]" 1
239 3 4 DC H2' 3 4 DC H6 . . 2.500 2.443 2.271 2.576 0.076 5 0 "[ . 1]" 1
240 1 1 DA H1' 1 2 DA H2' . 4.500 50.000 5.161 5.065 5.250 . 0 0 "[ . 1]" 1
241 1 2 DA H1' 1 3 DG H2' . 4.500 50.000 5.308 5.121 5.552 . 0 0 "[ . 1]" 1
242 1 3 DG H1' 1 4 DG H2' . 4.500 50.000 5.532 5.257 6.004 . 0 0 "[ . 1]" 1
243 1 5 DA H1' 1 6 DA H2' . 4.500 50.000 5.876 5.419 6.158 . 0 0 "[ . 1]" 1
244 2 2 DT H1' 2 3 DC H2' . 4.500 50.000 5.521 5.009 6.121 . 0 0 "[ . 1]" 1
245 2 3 DC H1' 2 4 DC H2' . 4.500 50.000 5.152 5.025 5.283 . 0 0 "[ . 1]" 1
246 2 4 DC H1' 2 5 DT H2' . 4.500 50.000 5.763 5.387 5.966 . 0 0 "[ . 1]" 1
247 2 5 DT H1' 2 6 DT H2' . 4.500 50.000 6.235 6.176 6.297 . 0 0 "[ . 1]" 1
248 3 2 DT H1' 3 3 DC H2' . 4.500 50.000 5.735 5.201 6.063 . 0 0 "[ . 1]" 1
249 1 1 DA H1' 1 2 DA H3' . 4.500 50.000 5.378 5.304 5.507 . 0 0 "[ . 1]" 1
250 1 2 DA H1' 1 3 DG H3' . 4.500 50.000 5.710 5.430 6.182 . 0 0 "[ . 1]" 1
251 1 3 DG H1' 1 4 DG H3' . 4.500 50.000 6.157 5.687 6.936 . 0 0 "[ . 1]" 1
252 1 4 DG H1' 1 5 DA H3' . 4.500 50.000 5.710 5.530 6.687 . 0 0 "[ . 1]" 1
253 2 3 DC H1' 2 4 DC H3' . 4.500 50.000 5.958 5.798 6.202 . 0 0 "[ . 1]" 1
254 2 4 DC H1' 2 5 DT H3' . 4.500 50.000 6.160 5.420 6.533 . 0 0 "[ . 1]" 1
255 1 1 DA H2' 1 2 DA H1' . 4.500 50.000 6.244 6.172 6.366 . 0 0 "[ . 1]" 1
256 1 1 DA H2'' 1 2 DA H1' . 4.500 50.000 4.911 4.826 5.032 . 0 0 "[ . 1]" 1
257 1 2 DA H2' 1 3 DG H1' . 4.500 50.000 6.408 6.301 6.576 . 0 0 "[ . 1]" 1
258 1 2 DA H2'' 1 3 DG H1' . 4.500 50.000 4.916 4.794 5.112 . 0 0 "[ . 1]" 1
259 1 3 DG H2' 1 4 DG H1' . 4.500 50.000 5.880 5.804 5.931 . 0 0 "[ . 1]" 1
260 1 4 DG H2'' 1 5 DA H1' . 4.500 50.000 4.936 4.733 5.133 . 0 0 "[ . 1]" 1
261 2 2 DT H2' 2 3 DC H1' . 4.500 50.000 6.665 6.093 7.009 . 0 0 "[ . 1]" 1
262 2 2 DT H2'' 2 3 DC H1' . 4.500 50.000 5.157 4.745 5.408 . 0 0 "[ . 1]" 1
263 2 3 DC H2' 2 4 DC H1' . 4.500 50.000 7.138 6.734 7.406 . 0 0 "[ . 1]" 1
264 2 5 DT H2' 2 6 DT H1' . 4.500 50.000 6.292 6.223 6.325 . 0 0 "[ . 1]" 1
265 3 5 DT H2'' 3 6 DT H1' . 5.000 50.000 5.004 4.985 5.109 0.015 6 0 "[ . 1]" 1
266 3 4 DC H2'' 3 5 DT H1' . 4.500 50.000 5.040 4.690 5.414 . 0 0 "[ . 1]" 1
267 3 4 DC H2' 3 5 DT H1' . 4.500 50.000 6.529 6.055 6.973 . 0 0 "[ . 1]" 1
268 2 5 DT H2'' 2 6 DT H2' . 4.500 50.000 4.475 4.464 4.497 0.036 10 0 "[ . 1]" 1
269 1 5 DA H2'' 3 6 DT H3 . 4.500 50.000 5.339 5.103 5.456 . 0 0 "[ . 1]" 1
270 1 5 DA H2' 3 6 DT H3 . 4.500 50.000 4.713 4.494 4.886 0.006 10 0 "[ . 1]" 1
271 1 4 DG H2' 3 5 DT H3 . 4.500 50.000 4.462 4.454 4.474 0.046 3 0 "[ . 1]" 1
272 1 4 DG H2'' 3 5 DT H3 . 4.500 50.000 4.689 4.566 4.818 . 0 0 "[ . 1]" 1
273 1 5 DA H3' 3 6 DT H1' . 4.500 50.000 4.512 4.488 4.640 0.012 3 0 "[ . 1]" 1
274 3 3 DC H2'' 3 4 DC H1' . 4.500 50.000 5.194 4.491 5.681 0.009 9 0 "[ . 1]" 1
275 1 5 DA H8 2 1 DT H2'' . 4.500 50.000 13.412 13.099 13.673 . 0 0 "[ . 1]" 1
276 2 5 DT H2'' 2 6 DT H1' . 5.000 50.000 4.925 4.906 4.935 0.094 4 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 26
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 17.584
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0241
_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 DA 0.511 0.056 3 0 "[ . 1]"
1 2 DA 0.187 0.032 8 0 "[ . 1]"
1 3 DG 0.216 0.041 1 0 "[ . 1]"
1 4 DG 0.259 0.038 3 0 "[ . 1]"
1 5 DA 0.134 0.043 9 0 "[ . 1]"
1 6 DA 0.452 0.055 9 0 "[ . 1]"
2 1 DT 0.427 0.055 9 0 "[ . 1]"
2 2 DT 0.124 0.043 9 0 "[ . 1]"
2 3 DC 0.060 0.025 3 0 "[ . 1]"
2 4 DC 0.029 0.010 5 0 "[ . 1]"
2 5 DT 0.182 0.032 8 0 "[ . 1]"
2 6 DT 0.495 0.056 3 0 "[ . 1]"
3 1 DT 0.016 0.009 4 0 "[ . 1]"
3 2 DT 0.004 0.004 4 0 "[ . 1]"
3 3 DC 0.187 0.041 1 0 "[ . 1]"
3 4 DC 0.199 0.038 3 0 "[ . 1]"
3 5 DT 0.010 0.010 6 0 "[ . 1]"
3 6 DT 0.026 0.014 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 DA N1 2 6 DT N3 . 2.720 2.920 2.793 2.787 2.800 . 0 0 "[ . 1]" 2
2 1 1 DA N6 2 6 DT O4 . 2.850 3.050 3.100 3.095 3.106 0.056 3 0 "[ . 1]" 2
3 1 2 DA N1 2 5 DT N3 . 2.720 2.920 2.819 2.804 2.827 . 0 0 "[ . 1]" 2
4 1 2 DA N6 2 5 DT O4 . 2.850 3.050 3.068 3.056 3.082 0.032 8 0 "[ . 1]" 2
5 1 3 DG N1 2 4 DC N3 . 2.850 3.050 2.929 2.896 2.990 . 0 0 "[ . 1]" 2
6 1 3 DG O6 2 4 DC N4 . 2.810 3.010 2.927 2.882 3.012 0.002 1 0 "[ . 1]" 2
7 1 3 DG N2 2 4 DC O2 . 2.760 2.960 2.945 2.922 2.970 0.010 5 0 "[ . 1]" 2
8 1 4 DG N1 2 3 DC N3 . 2.850 3.050 2.999 2.951 3.057 0.007 3 0 "[ . 1]" 2
9 1 4 DG O6 2 3 DC N4 . 2.810 3.010 2.979 2.918 3.010 . 0 0 "[ . 1]" 2
10 1 4 DG N2 2 3 DC O2 . 2.760 2.960 2.955 2.918 2.985 0.025 3 0 "[ . 1]" 2
11 1 5 DA N1 2 2 DT N3 . 2.720 2.920 2.914 2.842 2.963 0.043 9 0 "[ . 1]" 2
12 1 5 DA N6 2 2 DT O4 . 2.850 3.050 2.988 2.906 3.060 0.010 3 0 "[ . 1]" 2
13 1 6 DA N1 2 1 DT N3 . 2.720 2.920 2.847 2.820 2.874 . 0 0 "[ . 1]" 2
14 1 6 DA N6 2 1 DT O4 . 2.850 3.050 3.093 3.085 3.105 0.055 9 0 "[ . 1]" 2
15 1 1 DA N7 3 1 DT N3 . 2.700 3.000 2.975 2.951 3.009 0.009 4 0 "[ . 1]" 2
16 1 1 DA N6 3 1 DT O4 . 2.700 3.000 2.926 2.880 2.950 . 0 0 "[ . 1]" 2
17 1 2 DA N7 3 2 DT N3 . 2.700 3.000 2.880 2.864 2.895 . 0 0 "[ . 1]" 2
18 1 2 DA N6 3 2 DT O4 . 2.700 3.000 2.925 2.884 3.004 0.004 4 0 "[ . 1]" 2
19 1 3 DG N7 3 3 DC N3 . 2.700 3.000 2.947 2.858 3.038 0.038 7 0 "[ . 1]" 2
20 1 3 DG O6 3 3 DC N4 . 2.700 3.000 2.953 2.837 3.041 0.041 1 0 "[ . 1]" 2
21 1 4 DG N7 3 4 DC N3 . 2.700 3.000 2.985 2.932 3.038 0.038 3 0 "[ . 1]" 2
22 1 4 DG O6 3 4 DC N4 . 2.700 3.000 3.007 2.963 3.023 0.023 6 0 "[ . 1]" 2
23 1 5 DA N7 3 5 DT N3 . 2.700 3.000 2.869 2.824 2.902 . 0 0 "[ . 1]" 2
24 1 5 DA N6 3 5 DT O4 . 2.700 3.000 2.966 2.916 3.010 0.010 6 0 "[ . 1]" 2
25 1 6 DA N7 3 6 DT N3 . 2.700 3.000 2.922 2.897 2.938 . 0 0 "[ . 1]" 2
26 1 6 DA N6 3 6 DT O4 . 2.700 3.000 2.980 2.950 3.014 0.014 5 0 "[ . 1]" 2
stop_
save_
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