NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577071 |
2mhx   |
19659 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhx
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 121
_Distance_constraint_stats_list.Viol_count 823
_Distance_constraint_stats_list.Viol_total 3535.307
_Distance_constraint_stats_list.Viol_max 1.721
_Distance_constraint_stats_list.Viol_rms 0.4054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4565
_Distance_constraint_stats_list.Viol_average_violations_only 0.5370
_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 DC 37.463 1.432 2 8 [-+******]
1 2 DG 27.213 1.432 2 8 [*+******]
1 3 DG 27.442 1.129 3 8 [**+-****]
1 4 DA 39.786 1.034 4 8 [***+****]
1 5 DC 39.480 1.055 8 8 [*-*****+]
1 7 DA 13.552 0.651 2 8 [*+*****-]
1 8 DG 23.901 1.217 8 8 [*******+]
1 9 DA 36.839 1.452 6 8 [*****+*-]
1 10 DA 19.620 0.660 6 8 [-****+**]
1 11 DG 25.283 1.048 7 8 [-*****+*]
2 1 DC 21.104 1.030 8 8 [**-****+]
2 2 DT 19.861 1.030 8 8 [**-****+]
2 3 DT 32.304 1.721 7 8 [****-*+*]
2 4 DC 48.021 1.721 7 8 [****-*+*]
2 5 DT 9.473 0.781 8 8 [**-****+]
2 6 DT 22.142 1.139 2 8 [*+****-*]
2 7 DG 15.684 1.139 2 8 [*+***-**]
2 8 DT 25.941 1.537 5 8 [****+***]
2 9 DC 74.950 1.654 4 8 [***+****]
2 10 DC 52.372 1.654 4 8 [***+**-*]
2 11 DG 28.048 1.542 1 8 [+*******]
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 2 1 DC H1' 2 1 DC H6 . . 3.100 3.710 3.702 3.719 0.619 8 8 [**-****+] 1
2 2 1 DC H1' 2 1 DC H3' . . 3.690 3.895 3.869 3.912 0.222 2 0 "[ . ]" 1
3 2 1 DC H1' 2 2 DT H6 . . 3.860 4.713 4.640 4.839 0.979 3 8 [**+**-**] 1
4 2 1 DC H3' 2 2 DT H6 . . 3.230 4.201 4.087 4.260 1.030 8 8 [**-****+] 1
5 2 2 DT H1' 2 2 DT H6 . . 3.090 3.749 3.747 3.752 0.662 5 8 [**-*+***] 1
6 2 3 DT H1' 2 3 DT H3' . . 3.290 3.766 3.749 3.776 0.486 3 0 "[ . ]" 1
7 2 3 DT H1' 2 3 DT H2'' . . 2.380 2.384 2.377 2.394 0.014 6 0 "[ . ]" 1
8 2 3 DT H1' 2 4 DC H6 . . 3.170 3.672 3.552 3.778 0.608 7 5 "[* * -*+ ]" 1
9 2 3 DT H3' 2 4 DC H6 . . 4.070 4.975 4.889 5.108 1.038 7 8 [**-***+*] 1
10 2 4 DC H1' 2 4 DC H6 . . 3.110 3.742 3.736 3.746 0.636 6 8 [****-+**] 1
11 2 3 DT H1' 2 4 DC H5 . . 3.270 4.760 4.537 4.991 1.721 7 8 [**-***+*] 1
12 2 3 DT H3' 2 4 DC H5 . . 5.300 5.841 5.545 6.143 0.843 7 5 "[- ** +*]" 1
13 2 4 DC H1' 2 4 DC H3' . . 3.840 3.830 3.811 3.845 0.005 7 0 "[ . ]" 1
14 2 4 DC H3' 2 4 DC H6 . . 3.210 4.017 3.918 4.092 0.882 4 8 [***+**-*] 1
15 2 4 DC H1' 2 4 DC Q2' . . 2.250 2.283 2.264 2.296 0.046 4 0 "[ . ]" 1
16 2 4 DC Q2' 2 4 DC H6 . . 1.900 2.371 2.226 2.491 0.591 7 3 "[ - +*]" 1
17 2 4 DC Q2' 2 4 DC H3' . . 2.170 2.192 2.187 2.199 0.029 4 0 "[ . ]" 1
18 2 4 DC H1' 2 5 DT H6 . . 3.340 3.939 3.767 4.121 0.781 8 6 "[* - ***+]" 1
19 2 5 DT H1' 2 5 DT H6 . . 3.160 3.745 3.740 3.748 0.588 3 8 [**+-****] 1
20 2 6 DT H1' 2 6 DT H6 . . 3.030 3.706 3.699 3.709 0.679 8 8 [******-+] 1
21 2 6 DT H1' 2 6 DT Q2' . . 1.830 2.190 2.185 2.201 0.371 2 0 "[ . ]" 1
22 2 6 DT Q2' 2 6 DT H6 . . 2.130 2.854 2.812 2.910 0.780 7 8 [*****-+*] 1
23 2 6 DT Q2' 2 6 DT H3' . . 2.290 2.212 2.207 2.216 . 0 0 "[ . ]" 1
24 2 6 DT H1' 2 7 DG H8 . . 3.710 4.719 4.674 4.849 1.139 2 8 [*+***-**] 1
25 2 6 DT Q2' 2 7 DG H8 . . 2.560 2.404 2.367 2.484 . 0 0 "[ . ]" 1
26 2 7 DG H1' 2 7 DG H3' . . 3.430 3.909 3.894 3.927 0.497 2 0 "[ . ]" 1
27 2 7 DG H1' 2 7 DG Q2' . . 2.230 2.252 2.244 2.258 0.028 6 0 "[ . ]" 1
28 2 7 DG Q2' 2 7 DG H8 . . 2.270 2.259 2.236 2.287 0.017 7 0 "[ . ]" 1
29 2 7 DG Q2' 2 7 DG H3' . . 2.270 2.205 2.201 2.210 . 0 0 "[ . ]" 1
30 2 7 DG H1' 2 8 DT H6 . . 3.080 3.475 3.392 3.550 0.470 1 0 "[ . ]" 1
31 2 7 DG Q2' 2 8 DT H6 . . 2.280 2.330 2.271 2.372 0.092 8 0 "[ . ]" 1
32 2 8 DT H1' 2 9 DC H6 . . 3.910 4.070 3.896 4.193 0.283 2 0 "[ . ]" 1
33 2 8 DT H6 2 9 DC H6 . . 3.440 4.887 4.838 4.977 1.537 5 8 [**-*+***] 1
34 2 9 DC H1' 2 9 DC H6 . . 3.100 3.749 3.739 3.758 0.658 4 8 [***+**-*] 1
35 2 8 DT H1' 2 9 DC H5 . . 4.080 5.035 4.944 5.093 1.013 4 8 [***+-***] 1
36 2 8 DT H6 2 9 DC H5 . . 3.760 3.992 3.934 4.076 0.316 8 0 "[ . ]" 1
37 2 9 DC H1' 2 9 DC H3' . . 3.700 3.834 3.804 3.869 0.169 7 0 "[ . ]" 1
38 2 9 DC H3' 2 9 DC H6 . . 3.180 3.986 3.790 4.094 0.914 4 8 [***+**-*] 1
39 2 9 DC H1' 2 9 DC Q2' . . 2.010 2.273 2.242 2.293 0.283 4 0 "[ . ]" 1
40 2 9 DC Q2' 2 9 DC H6 . . 2.150 2.333 2.244 2.439 0.289 7 0 "[ . ]" 1
41 2 9 DC Q2' 2 9 DC H3' . . 2.140 2.195 2.190 2.200 0.060 5 0 "[ . ]" 1
42 2 9 DC H1' 2 10 DC H6 . . 3.300 4.046 3.850 4.215 0.915 7 8 [***-**+*] 1
43 2 9 DC Q2' 2 10 DC H6 . . 2.050 2.200 2.161 2.240 0.190 6 0 "[ . ]" 1
44 2 9 DC H1' 2 10 DC H5 . . 3.430 4.928 4.838 5.055 1.625 6 8 [***-*+**] 1
45 2 9 DC H3' 2 10 DC H5 . . 4.020 5.476 5.116 5.674 1.654 4 8 [***+**-*] 1
46 2 9 DC Q2' 2 10 DC H5 . . 2.440 3.073 2.855 3.202 0.762 5 7 "[**-*+* *]" 1
47 2 10 DC H1' 2 10 DC H3' . . 3.700 3.794 3.777 3.811 0.111 7 0 "[ . ]" 1
48 2 10 DC H1' 2 10 DC Q2' . . 2.340 2.298 2.290 2.304 . 0 0 "[ . ]" 1
49 2 10 DC Q2' 2 10 DC H6 . . 1.770 2.271 2.248 2.307 0.537 5 3 "[ +*- ]" 1
50 2 10 DC Q2' 2 10 DC H5 . . 3.380 4.332 4.321 4.349 0.969 3 8 [**+**-**] 1
51 2 10 DC H1' 2 11 DG H8 . . 3.720 4.238 4.144 4.328 0.608 7 5 "[- **+*]" 1
52 2 10 DC Q2' 2 11 DG H8 . . 2.530 2.377 2.337 2.413 . 0 0 "[ . ]" 1
53 2 11 DG H1' 2 11 DG H8 . . 3.300 3.912 3.902 3.917 0.617 6 8 [*****+-*] 1
54 2 11 DG H1' 2 11 DG H3' . . 3.370 3.753 3.733 3.787 0.417 2 0 "[ . ]" 1
55 2 11 DG H3' 2 11 DG H8 . . 3.020 4.513 4.421 4.562 1.542 1 8 [+-******] 1
56 2 11 DG H1' 2 11 DG Q2' . . 1.830 2.322 2.313 2.330 0.500 8 0 "[ . ]" 1
57 2 11 DG Q2' 2 11 DG H3' . . 2.210 2.218 2.209 2.226 0.016 7 0 "[ . ]" 1
58 1 1 DC H1' 1 1 DC H6 . . 2.830 3.649 3.590 3.682 0.852 7 8 [-*****+*] 1
59 1 1 DC H1' 1 1 DC H3' . . 3.610 3.651 3.637 3.660 0.050 1 0 "[ . ]" 1
60 1 1 DC H3' 1 1 DC H6 . . 3.460 4.509 4.498 4.531 1.071 3 8 [*-+*****] 1
61 1 1 DC H1' 1 1 DC Q2' . . 1.850 2.341 2.337 2.345 0.495 3 0 "[ . ]" 1
62 1 1 DC Q2' 1 1 DC H6 . . 2.160 2.106 2.099 2.116 . 0 0 "[ . ]" 1
63 1 1 DC Q2' 1 1 DC H5 . . 3.430 4.249 4.235 4.262 0.832 7 8 [-*****+*] 1
64 1 1 DC Q2' 1 1 DC H3' . . 2.140 2.223 2.221 2.230 0.090 3 0 "[ . ]" 1
65 1 1 DC H1' 1 2 DG H8 . . 2.590 2.624 2.530 2.795 0.205 2 0 "[ . ]" 1
66 1 1 DC H6 1 2 DG H8 . . 4.100 5.411 5.318 5.532 1.432 2 8 [*+-*****] 1
67 1 1 DC Q2' 1 2 DG H8 . . 3.020 2.981 2.921 3.203 0.183 1 0 "[ . ]" 1
68 1 2 DG H1' 1 2 DG H8 . . 3.340 3.908 3.904 3.911 0.571 4 8 [*-*+****] 1
69 1 2 DG H3' 1 2 DG H8 . . 3.170 4.354 4.308 4.416 1.246 8 8 [******-+] 1
70 1 2 DG H1' 1 3 DG H8 . . 3.380 3.649 3.544 3.740 0.360 6 0 "[ . ]" 1
71 1 3 DG H1' 1 3 DG H8 . . 3.870 3.907 3.904 3.909 0.039 7 0 "[ . ]" 1
72 1 3 DG H1' 1 3 DG H3' . . 3.430 3.806 3.793 3.825 0.395 6 0 "[ . ]" 1
73 1 3 DG H3' 1 3 DG H8 . . 3.330 4.407 4.336 4.459 1.129 3 8 [**+**-**] 1
74 1 3 DG H1' 1 3 DG H2'' . . 2.150 2.390 2.376 2.400 0.250 3 0 "[ . ]" 1
75 1 3 DG H1' 1 4 DA H8 . . 3.390 4.005 3.879 4.133 0.743 8 7 "[ **-***+]" 1
76 1 3 DG H8 1 4 DA H8 . . 3.960 4.776 4.475 4.994 1.034 4 8 [***+-***] 1
77 1 3 DG H2'' 1 4 DA H8 . . 2.730 2.430 2.314 2.605 . 0 0 "[ . ]" 1
78 1 4 DA H1' 1 4 DA H8 . . 3.400 3.909 3.904 3.914 0.514 8 8 [-******+] 1
79 1 4 DA H1' 1 4 DA H3' . . 3.420 3.863 3.848 3.876 0.456 1 0 "[ . ]" 1
80 1 4 DA H1' 1 4 DA Q2' . . 2.440 2.280 2.270 2.290 . 0 0 "[ . ]" 1
81 1 4 DA Q2' 1 4 DA H8 . . 2.430 2.479 2.373 2.604 0.174 5 0 "[ . ]" 1
82 1 4 DA H2 1 5 DC H1' . . 3.510 4.232 3.983 4.427 0.917 2 7 "[*+-**** ]" 1
83 1 4 DA H1' 1 5 DC H6 . . 3.700 3.959 3.799 4.107 0.407 5 0 "[ . ]" 1
84 1 4 DA H8 1 5 DC H6 . . 4.070 4.782 4.623 4.923 0.853 6 8 [*-***+**] 1
85 1 4 DA H3' 1 5 DC H6 . . 4.060 4.866 4.791 4.975 0.915 8 8 [-******+] 1
86 1 4 DA Q2' 1 5 DC H6 . . 2.340 2.272 2.247 2.302 . 0 0 "[ . ]" 1
87 1 5 DC H1' 1 5 DC H6 . . 3.700 3.732 3.725 3.738 0.038 7 0 "[ . ]" 1
88 1 4 DA H1' 1 5 DC H5 . . 4.960 4.959 4.847 5.099 0.139 5 0 "[ . ]" 1
89 1 5 DC H1' 1 5 DC H3' . . 3.360 3.878 3.870 3.889 0.529 6 8 [*-***+**] 1
90 1 5 DC H3' 1 5 DC H6 . . 3.220 3.665 3.612 3.711 0.491 8 0 "[ . ]" 1
91 1 5 DC H1' 1 5 DC Q2' . . 2.740 2.228 2.222 2.235 . 0 0 "[ . ]" 1
92 1 5 DC Q2' 1 5 DC H6 . . 2.180 2.569 2.499 2.644 0.464 8 0 "[ . ]" 1
93 1 5 DC Q2' 1 5 DC H5 . . 3.410 4.428 4.392 4.465 1.055 8 8 [******-+] 1
94 1 5 DC Q2' 1 5 DC H3' . . 2.230 2.189 2.187 2.193 . 0 0 "[ . ]" 1
95 1 7 DA H1' 1 8 DG H8 . . 3.430 3.725 3.563 3.941 0.511 8 1 "[ . +]" 1
96 1 7 DA H8 1 8 DG H8 . . 3.740 4.161 3.966 4.335 0.595 3 2 "[ + . - ]" 1
97 1 8 DG H1' 1 8 DG H8 . . 3.660 3.912 3.906 3.917 0.257 6 0 "[ . ]" 1
98 1 8 DG H1' 1 8 DG H2'' . . 2.370 2.398 2.391 2.408 0.038 6 0 "[ . ]" 1
99 1 8 DG H1' 1 9 DA H8 . . 3.280 3.836 3.696 3.948 0.668 4 6 "[*-*+. **]" 1
100 1 8 DG H8 1 9 DA H8 . . 4.350 4.763 4.458 5.018 0.668 6 3 "[ - *.+ ]" 1
101 1 8 DG H3' 1 9 DA H8 . . 4.080 5.096 5.022 5.297 1.217 8 8 [*-*****+] 1
102 1 9 DA H1' 1 9 DA H8 . . 3.380 3.907 3.893 3.912 0.532 7 8 [******+-] 1
103 1 9 DA H3' 1 9 DA H8 . . 2.930 4.319 4.265 4.382 1.452 6 8 [*****+*-] 1
104 1 9 DA H1' 1 9 DA Q2' . . 2.220 2.291 2.271 2.298 0.078 4 0 "[ . ]" 1
105 1 9 DA Q2' 1 9 DA H8 . . 2.240 2.511 2.366 2.718 0.478 8 0 "[ . ]" 1
106 1 9 DA H1' 1 10 DA H8 . . 3.530 3.892 3.631 4.160 0.630 8 1 "[ . +]" 1
107 1 10 DA H1' 1 10 DA H8 . . 3.280 3.913 3.909 3.916 0.636 8 8 [*****-*+] 1
108 1 10 DA H1' 1 10 DA H3' . . 3.390 3.822 3.802 3.859 0.469 6 0 "[ . ]" 1
109 1 10 DA H8 1 11 DG H8 . . 3.740 4.334 4.269 4.400 0.660 6 8 [**-**+**] 1
110 1 10 DA H3' 1 11 DG H8 . . 4.620 5.052 4.943 5.142 0.522 3 2 "[- + . ]" 1
111 1 10 DA H2'' 1 11 DG H8 . . 3.160 2.468 2.365 2.627 . 0 0 "[ . ]" 1
112 1 11 DG H1' 1 11 DG H3' . . 3.340 3.750 3.739 3.796 0.456 8 0 "[ . ]" 1
113 1 11 DG H3' 1 11 DG H8 . . 3.540 4.543 4.418 4.588 1.048 7 8 [******+-] 1
114 1 11 DG H1' 1 11 DG Q2' . . 1.870 2.326 2.318 2.329 0.459 6 0 "[ . ]" 1
115 1 11 DG Q2' 1 11 DG H3' . . 1.950 2.215 2.194 2.224 0.274 6 0 "[ . ]" 1
116 2 2 DT H1' 2 3 DT H6 . . 4.170 4.106 4.070 4.168 . 0 0 "[ . ]" 1
117 2 3 DT H1' 2 3 DT H6 . . 3.640 3.759 3.757 3.761 0.121 4 0 "[ . ]" 1
118 1 7 DA H1' 1 7 DA H3' . . 3.280 3.918 3.903 3.931 0.651 2 8 [*+*-****] 1
119 1 7 DA H1' 1 7 DA Q2' . . 2.010 2.242 2.238 2.247 0.237 8 0 "[ . ]" 1
120 1 7 DA Q2' 1 7 DA H8 . . 2.190 2.291 2.262 2.322 0.132 7 0 "[ . ]" 1
121 1 7 DA H2 1 8 DG H1' . . 5.130 4.972 4.859 5.182 0.052 3 0 "[ . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 329
_Distance_constraint_stats_list.Viol_total 270.232
_Distance_constraint_stats_list.Viol_max 0.259
_Distance_constraint_stats_list.Viol_rms 0.0577
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1005
_Distance_constraint_stats_list.Viol_average_violations_only 0.1027
_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 DC 3.355 0.111 6 0 "[ . ]"
1 2 DG 2.897 0.090 4 0 "[ . ]"
1 3 DG 2.982 0.099 3 0 "[ . ]"
1 4 DA 3.525 0.199 6 0 "[ . ]"
1 5 DC 2.982 0.094 3 0 "[ . ]"
1 7 DA 3.734 0.259 7 0 "[ . ]"
1 8 DG 3.206 0.125 8 0 "[ . ]"
1 9 DA 3.768 0.222 5 0 "[ . ]"
1 10 DA 3.601 0.235 6 0 "[ . ]"
1 11 DG 3.729 0.149 3 0 "[ . ]"
2 1 DC 3.729 0.149 3 0 "[ . ]"
2 2 DT 3.601 0.235 6 0 "[ . ]"
2 3 DT 3.768 0.222 5 0 "[ . ]"
2 4 DC 3.206 0.125 8 0 "[ . ]"
2 5 DT 3.734 0.259 7 0 "[ . ]"
2 7 DG 2.982 0.094 3 0 "[ . ]"
2 8 DT 3.525 0.199 6 0 "[ . ]"
2 9 DC 2.982 0.099 3 0 "[ . ]"
2 10 DC 2.897 0.090 4 0 "[ . ]"
2 11 DG 3.355 0.111 6 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 DG O6 2 1 DC H42 . . 1.800 1.914 1.900 1.949 0.149 3 0 "[ . ]" 2
2 1 11 DG H1 2 1 DC N3 . . 1.840 1.923 1.916 1.928 0.088 5 0 "[ . ]" 2
3 1 11 DG N1 2 1 DC N3 . . 2.850 2.920 2.915 2.926 0.076 6 0 "[ . ]" 2
4 1 11 DG O6 2 1 DC N4 . . 2.810 2.924 2.911 2.957 0.147 3 0 "[ . ]" 2
5 1 11 DG H22 2 1 DC O2 . . 1.750 1.835 1.825 1.849 0.099 4 0 "[ . ]" 2
6 1 10 DA N1 2 2 DT H3 . . 1.710 1.928 1.905 1.945 0.235 6 0 "[ . ]" 2
7 1 10 DA N1 2 2 DT N3 . . 2.720 2.927 2.911 2.940 0.220 6 0 "[ . ]" 2
8 1 10 DA H61 2 2 DT O4 . . 1.840 1.866 1.853 1.882 0.042 7 0 "[ . ]" 2
9 1 9 DA N1 2 3 DT H3 . . 1.710 1.918 1.903 1.932 0.222 5 0 "[ . ]" 2
10 1 9 DA N1 2 3 DT N3 . . 2.720 2.917 2.895 2.933 0.213 4 0 "[ . ]" 2
11 1 9 DA H61 2 3 DT O4 . . 1.840 1.906 1.888 1.942 0.102 3 0 "[ . ]" 2
12 1 8 DG O6 2 4 DC H42 . . 1.800 1.887 1.856 1.925 0.125 8 0 "[ . ]" 2
13 1 8 DG H1 2 4 DC N3 . . 1.840 1.923 1.915 1.934 0.094 4 0 "[ . ]" 2
14 1 8 DG N1 2 4 DC N3 . . 2.850 2.921 2.916 2.928 0.078 4 0 "[ . ]" 2
15 1 8 DG O6 2 4 DC N4 . . 2.810 2.895 2.868 2.935 0.125 8 0 "[ . ]" 2
16 1 8 DG H22 2 4 DC O2 . . 1.750 1.825 1.809 1.838 0.088 3 0 "[ . ]" 2
17 1 7 DA N1 2 5 DT H3 . . 1.710 1.951 1.912 1.969 0.259 7 0 "[ . ]" 2
18 1 7 DA N1 2 5 DT N3 . . 2.720 2.943 2.907 2.961 0.241 7 0 "[ . ]" 2
19 1 7 DA H61 2 5 DT O4 . . 1.840 1.829 1.819 1.861 0.021 3 0 "[ . ]" 2
20 1 5 DC N3 2 7 DG H1 . . 1.840 1.926 1.920 1.934 0.094 3 0 "[ . ]" 2
21 1 5 DC O2 2 7 DG H22 . . 1.750 1.815 1.804 1.823 0.073 1 0 "[ . ]" 2
22 1 5 DC N3 2 7 DG N1 . . 2.850 2.926 2.922 2.931 0.081 3 0 "[ . ]" 2
23 1 5 DC H42 2 7 DG O6 . . 1.800 1.871 1.860 1.880 0.080 3 0 "[ . ]" 2
24 1 5 DC N4 2 7 DG O6 . . 2.810 2.884 2.874 2.891 0.081 3 0 "[ . ]" 2
25 1 4 DA N1 2 8 DT H3 . . 1.710 1.905 1.898 1.909 0.199 6 0 "[ . ]" 2
26 1 4 DA N1 2 8 DT N3 . . 2.720 2.914 2.908 2.919 0.199 6 0 "[ . ]" 2
27 1 4 DA H61 2 8 DT O4 . . 1.840 1.892 1.880 1.900 0.060 1 0 "[ . ]" 2
28 1 3 DG O6 2 9 DC H42 . . 1.800 1.871 1.860 1.879 0.079 1 0 "[ . ]" 2
29 1 3 DG H1 2 9 DC N3 . . 1.840 1.915 1.910 1.921 0.081 5 0 "[ . ]" 2
30 1 3 DG N1 2 9 DC N3 . . 2.850 2.916 2.910 2.922 0.072 6 0 "[ . ]" 2
31 1 3 DG O6 2 9 DC N4 . . 2.810 2.885 2.874 2.893 0.083 1 0 "[ . ]" 2
32 1 3 DG H22 2 9 DC O2 . . 1.750 1.835 1.827 1.849 0.099 3 0 "[ . ]" 2
33 1 2 DG O6 2 10 DC H42 . . 1.800 1.870 1.859 1.890 0.090 4 0 "[ . ]" 2
34 1 2 DG H1 2 10 DC N3 . . 1.840 1.922 1.918 1.926 0.086 1 0 "[ . ]" 2
35 1 2 DG N1 2 10 DC N3 . . 2.850 2.921 2.915 2.926 0.076 1 0 "[ . ]" 2
36 1 2 DG O6 2 10 DC N4 . . 2.810 2.881 2.872 2.900 0.090 4 0 "[ . ]" 2
37 1 2 DG H22 2 10 DC O2 . . 1.750 1.817 1.800 1.829 0.079 5 0 "[ . ]" 2
38 1 1 DC N3 2 11 DG H1 . . 1.840 1.931 1.920 1.936 0.096 3 0 "[ . ]" 2
39 1 1 DC O2 2 11 DG H22 . . 1.750 1.808 1.798 1.819 0.069 3 0 "[ . ]" 2
40 1 1 DC N3 2 11 DG N1 . . 2.850 2.927 2.919 2.936 0.086 1 0 "[ . ]" 2
41 1 1 DC H42 2 11 DG O6 . . 1.800 1.897 1.882 1.911 0.111 6 0 "[ . ]" 2
42 1 1 DC N4 2 11 DG O6 . . 2.810 2.907 2.896 2.916 0.106 1 0 "[ . ]" 2
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