NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395774 |
1s37   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s37
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 292
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 6.847
_Distance_constraint_stats_list.Viol_max 0.960
_Distance_constraint_stats_list.Viol_rms 0.0842
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0234
_Distance_constraint_stats_list.Viol_average_violations_only 0.0752
_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 0.339 0.082 1 0 "[ ]"
1 2 DG 0.352 0.073 1 0 "[ ]"
1 3 DA 0.511 0.086 1 0 "[ ]"
1 4 DA 0.427 0.121 1 0 "[ ]"
1 5 DA 0.294 0.104 1 0 "[ ]"
1 6 DT 1.782 0.576 1 1 [+]
1 7 DT 2.655 0.960 1 1 [+]
1 8 DT 2.488 0.960 1 1 [+]
1 9 DT 0.943 0.284 1 0 "[ ]"
1 10 DC 0.416 0.090 1 0 "[ ]"
1 11 DG 0.185 0.070 1 0 "[ ]"
2 1 DC 0.048 0.046 1 0 "[ ]"
2 2 DG 0.154 0.080 1 0 "[ ]"
2 3 DA 0.162 0.082 1 0 "[ ]"
2 4 DA 0.191 0.123 1 0 "[ ]"
2 5 DA 0.061 0.031 1 0 "[ ]"
2 7 DT 0.061 0.032 1 0 "[ ]"
2 8 DT 0.225 0.121 1 0 "[ ]"
2 9 DT 0.166 0.086 1 0 "[ ]"
2 10 DC 0.116 0.073 1 0 "[ ]"
2 11 DG 0.045 0.045 1 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 1 DC H1' 1 1 DC H2' 2.712 2.170 3.254 3.096 3.096 3.096 . 0 0 "[ ]" 1
2 1 1 DC H2' 1 1 DC H3' 2.467 . 2.960 1.997 1.997 1.997 . 0 0 "[ ]" 1
3 1 1 DC H2' 1 1 DC H4' 3.607 2.886 4.328 3.690 3.690 3.690 . 0 0 "[ ]" 1
4 1 1 DC H2'' 1 1 DC H3' 2.842 2.274 3.410 2.465 2.465 2.465 . 0 0 "[ ]" 1
5 1 1 DC H1' 1 1 DC H3' 3.230 2.584 3.876 3.570 3.570 3.570 . 0 0 "[ ]" 1
6 1 1 DC H1' 1 1 DC H4' 2.745 . 3.745 2.693 2.693 2.693 . 0 0 "[ ]" 1
7 1 1 DC H2'' 1 1 DC H5 4.759 3.807 5.711 4.912 4.912 4.912 . 0 0 "[ ]" 1
8 1 1 DC H3' 1 1 DC H4' 2.572 2.058 3.086 2.894 2.894 2.894 . 0 0 "[ ]" 1
9 1 1 DC H2'' 1 1 DC H6 2.609 2.087 3.131 2.930 2.930 2.930 . 0 0 "[ ]" 1
10 1 1 DC H2'' 1 1 DC H4' 3.169 2.535 3.803 3.826 3.826 3.826 0.023 1 0 "[ ]" 1
11 1 1 DC H2' 1 1 DC H6 2.131 . 3.131 1.889 1.889 1.889 . 0 0 "[ ]" 1
12 1 1 DC H1' 1 1 DC H2'' 2.240 . 2.688 2.447 2.447 2.447 . 0 0 "[ ]" 1
13 1 1 DC H5 1 1 DC H6 2.170 . 2.604 2.525 2.525 2.525 . 0 0 "[ ]" 1
14 1 1 DC H1' 1 1 DC H6 2.856 2.285 3.427 3.455 3.455 3.455 0.028 1 0 "[ ]" 1
15 1 1 DC H4' 1 1 DC H6 3.896 3.117 4.675 4.648 4.648 4.648 . 0 0 "[ ]" 1
16 1 1 DC H3' 1 1 DC H6 3.104 2.483 3.725 3.807 3.807 3.807 0.082 1 0 "[ ]" 1
17 1 2 DG H1' 1 2 DG H8 3.523 2.818 4.228 3.789 3.789 3.789 . 0 0 "[ ]" 1
18 1 2 DG H1' 1 2 DG H3' 2.294 . 3.294 3.336 3.336 3.336 0.042 1 0 "[ ]" 1
19 1 2 DG H3' 1 2 DG H8 3.369 2.369 4.369 4.434 4.434 4.434 0.065 1 0 "[ ]" 1
20 1 3 DA H4' 1 3 DA H8 5.300 4.240 6.360 4.748 4.748 4.748 . 0 0 "[ ]" 1
21 1 3 DA H3' 1 3 DA H8 3.305 2.644 3.966 4.045 4.045 4.045 0.079 1 0 "[ ]" 1
22 1 3 DA H1' 1 3 DA H8 3.436 2.749 4.123 3.776 3.776 3.776 . 0 0 "[ ]" 1
23 1 3 DA H2' 1 3 DA H8 2.393 . 2.872 2.140 2.140 2.140 . 0 0 "[ ]" 1
24 1 3 DA H2'' 1 3 DA H3' 2.237 . 2.684 2.478 2.478 2.478 . 0 0 "[ ]" 1
25 1 3 DA H2'' 1 3 DA H4' 2.975 2.380 3.570 3.620 3.620 3.620 0.050 1 0 "[ ]" 1
26 1 3 DA H1' 1 3 DA H4' 2.745 2.196 3.294 2.408 2.408 2.408 . 0 0 "[ ]" 1
27 1 3 DA H1' 1 3 DA H2'' 2.555 2.044 3.066 2.335 2.335 2.335 . 0 0 "[ ]" 1
28 1 3 DA H1' 1 3 DA H2' 2.172 . 2.972 3.007 3.007 3.007 0.035 1 0 "[ ]" 1
29 1 3 DA H1' 1 3 DA H3' 3.546 2.837 4.255 3.498 3.498 3.498 . 0 0 "[ ]" 1
30 1 4 DA H1' 1 4 DA H2 4.776 3.821 5.731 4.580 4.580 4.580 . 0 0 "[ ]" 1
31 1 4 DA H1' 1 4 DA H8 3.351 2.681 4.021 3.832 3.832 3.832 . 0 0 "[ ]" 1
32 1 4 DA H2' 1 4 DA H4' 3.311 2.649 3.973 3.574 3.574 3.574 . 0 0 "[ ]" 1
33 1 4 DA H2' 1 4 DA H3' 2.207 . 2.648 2.442 2.442 2.442 . 0 0 "[ ]" 1
34 1 4 DA H1' 1 4 DA H3' 3.182 2.546 3.818 3.537 3.537 3.537 . 0 0 "[ ]" 1
35 1 4 DA H2' 1 4 DA H8 2.140 . 2.568 2.336 2.336 2.336 . 0 0 "[ ]" 1
36 1 4 DA H3' 1 4 DA H8 3.268 . 4.568 4.609 4.609 4.609 0.041 1 0 "[ ]" 1
37 1 4 DA H4' 1 4 DA H8 3.896 2.596 5.196 4.648 4.648 4.648 . 0 0 "[ ]" 1
38 1 4 DA H1' 1 4 DA H2' 2.498 . 2.998 3.021 3.021 3.021 0.023 1 0 "[ ]" 1
39 1 4 DA H1' 1 4 DA H4' 2.626 . 3.626 3.200 3.200 3.200 . 0 0 "[ ]" 1
40 1 4 DA H1' 1 4 DA H2'' 2.195 . 2.634 2.381 2.381 2.381 . 0 0 "[ ]" 1
41 1 5 DA H1' 1 5 DA H2'' 2.200 . 2.640 2.458 2.458 2.458 . 0 0 "[ ]" 1
42 1 5 DA H2'' 1 5 DA H4' 3.392 2.714 4.070 4.016 4.016 4.016 . 0 0 "[ ]" 1
43 1 5 DA H2'' 1 5 DA H3' . 2.800 3.271 2.759 2.759 2.759 0.041 1 0 "[ ]" 1
44 1 5 DA H3' 1 5 DA H4' 2.700 2.160 3.240 2.482 2.482 2.482 . 0 0 "[ ]" 1
45 1 5 DA H1' 1 5 DA H4' 2.704 . 3.504 3.327 3.327 3.327 . 0 0 "[ ]" 1
46 1 5 DA H2' 1 5 DA H4' 3.090 2.472 3.708 3.427 3.427 3.427 . 0 0 "[ ]" 1
47 1 5 DA H1' 1 5 DA H3' 3.628 2.628 4.628 3.725 3.725 3.725 . 0 0 "[ ]" 1
48 1 5 DA H1' 1 5 DA H8 3.261 2.609 3.913 3.703 3.703 3.703 . 0 0 "[ ]" 1
49 1 5 DA H4' 1 5 DA H8 3.739 2.991 4.487 4.242 4.242 4.242 . 0 0 "[ ]" 1
50 1 5 DA H3' 1 5 DA H8 3.218 . 4.518 4.427 4.427 4.427 . 0 0 "[ ]" 1
51 1 7 DT H1' 1 7 DT H2' 2.522 2.018 3.026 3.052 3.052 3.052 0.026 1 0 "[ ]" 1
52 1 7 DT H2' 1 7 DT M7 3.497 2.497 4.497 3.536 3.536 3.536 . 0 0 "[ ]" 1
53 1 7 DT H1' 1 7 DT H3' 4.008 3.206 4.810 3.512 3.512 3.512 . 0 0 "[ ]" 1
54 1 7 DT H1' 1 7 DT H4' 2.353 . 2.824 2.828 2.828 2.828 0.004 1 0 "[ ]" 1
55 1 7 DT H2'' 1 7 DT M7 4.017 2.517 5.517 4.532 4.532 4.532 . 0 0 "[ ]" 1
56 1 7 DT H2' 1 7 DT H6 3.000 . 4.000 2.112 2.112 2.112 . 0 0 "[ ]" 1
57 1 7 DT H1' 1 7 DT H2'' 2.184 . 2.621 2.269 2.269 2.269 . 0 0 "[ ]" 1
58 1 7 DT H1' 1 7 DT M7 4.507 2.507 6.507 5.028 5.028 5.028 . 0 0 "[ ]" 1
59 1 7 DT H6 1 7 DT M7 2.273 . 2.728 1.950 1.950 1.950 . 0 0 "[ ]" 1
60 1 8 DT H1' 1 8 DT M7 5.264 4.211 6.317 5.097 5.097 5.097 . 0 0 "[ ]" 1
61 1 8 DT H1' 1 8 DT H2' 2.494 . 2.993 3.021 3.021 3.021 0.028 1 0 "[ ]" 1
62 1 8 DT H1' 1 8 DT H3' 4.537 3.630 5.444 3.615 3.615 3.615 0.015 1 0 "[ ]" 1
63 1 8 DT H2' 1 8 DT M7 4.210 3.368 5.052 4.111 4.111 4.111 . 0 0 "[ ]" 1
64 1 8 DT H1' 1 8 DT H6 3.038 2.430 3.646 3.695 3.695 3.695 0.049 1 0 "[ ]" 1
65 1 8 DT H2' 1 8 DT H6 3.000 2.600 3.400 2.524 2.524 2.524 0.076 1 0 "[ ]" 1
66 1 8 DT H2' 1 8 DT H3' 2.615 2.092 3.138 2.559 2.559 2.559 . 0 0 "[ ]" 1
67 1 9 DT H2'' 1 9 DT H3' 2.987 2.390 3.584 2.440 2.440 2.440 . 0 0 "[ ]" 1
68 1 9 DT H2' 1 9 DT H3' 2.662 2.130 3.194 2.269 2.269 2.269 . 0 0 "[ ]" 1
69 1 9 DT H1' 1 9 DT M7 5.300 4.240 6.360 4.985 4.985 4.985 . 0 0 "[ ]" 1
70 1 9 DT H1' 1 9 DT H2'' 2.112 . 3.112 2.438 2.438 2.438 . 0 0 "[ ]" 1
71 1 9 DT H6 1 9 DT M7 2.227 . 2.672 2.119 2.119 2.119 . 0 0 "[ ]" 1
72 1 9 DT H1' 1 9 DT H2' 2.481 . 2.977 3.025 3.025 3.025 0.048 1 0 "[ ]" 1
73 1 9 DT H2' 1 9 DT H6 2.011 . 3.011 1.804 1.804 1.804 . 0 0 "[ ]" 1
74 1 9 DT H2'' 1 9 DT H6 2.419 . 3.219 3.233 3.233 3.233 0.014 1 0 "[ ]" 1
75 1 9 DT H1' 1 9 DT H3' 4.893 3.693 6.093 3.653 3.653 3.653 0.040 1 0 "[ ]" 1
76 1 9 DT H2' 1 9 DT M7 3.114 2.114 4.114 3.350 3.350 3.350 . 0 0 "[ ]" 1
77 1 9 DT H2'' 1 9 DT M7 5.300 4.240 6.360 4.482 4.482 4.482 . 0 0 "[ ]" 1
78 1 9 DT H1' 1 9 DT H6 3.108 2.486 3.730 3.654 3.654 3.654 . 0 0 "[ ]" 1
79 1 9 DT H3' 1 9 DT H6 2.728 . 3.728 3.788 3.788 3.788 0.060 1 0 "[ ]" 1
80 1 9 DT H2' 1 9 DT H4' 3.440 2.752 4.128 3.773 3.773 3.773 . 0 0 "[ ]" 1
81 1 9 DT H2'' 1 9 DT H4' 2.992 2.394 3.590 3.620 3.620 3.620 0.030 1 0 "[ ]" 1
82 1 10 DC H2'' 1 10 DC H3' 3.390 2.712 4.068 2.763 2.763 2.763 . 0 0 "[ ]" 1
83 1 10 DC H1' 1 10 DC H6 3.126 2.126 4.126 3.831 3.831 3.831 . 0 0 "[ ]" 1
84 1 10 DC H2' 1 10 DC H6 2.014 . 2.814 2.473 2.473 2.473 . 0 0 "[ ]" 1
85 1 10 DC H2' 1 10 DC H4' 3.468 2.774 4.162 3.751 3.751 3.751 . 0 0 "[ ]" 1
86 1 10 DC H1' 1 10 DC H3' 3.506 2.805 4.207 3.489 3.489 3.489 . 0 0 "[ ]" 1
87 1 10 DC H1' 1 10 DC H2'' 2.137 . 2.564 2.465 2.465 2.465 . 0 0 "[ ]" 1
88 1 10 DC H1' 1 10 DC H2' 2.738 2.190 3.286 3.031 3.031 3.031 . 0 0 "[ ]" 1
89 1 10 DC H2' 1 10 DC H3' 3.660 2.928 4.392 2.869 2.869 2.869 0.059 1 0 "[ ]" 1
90 1 11 DG H1' 1 11 DG H8 3.182 2.546 3.818 3.705 3.705 3.705 . 0 0 "[ ]" 1
91 1 11 DG H3' 1 11 DG H8 3.028 2.028 4.028 4.098 4.098 4.098 0.070 1 0 "[ ]" 1
92 1 11 DG H2'' 1 11 DG H8 2.438 . 2.926 2.935 2.935 2.935 0.009 1 0 "[ ]" 1
93 1 11 DG H2' 1 11 DG H8 2.048 . 2.458 1.913 1.913 1.913 . 0 0 "[ ]" 1
94 1 11 DG H1' 1 11 DG H3' 3.549 2.839 4.259 3.755 3.755 3.755 . 0 0 "[ ]" 1
95 1 11 DG H1' 1 11 DG H2'' 2.061 . 2.473 2.404 2.404 2.404 . 0 0 "[ ]" 1
96 1 11 DG H2'' 1 11 DG H3' 2.887 2.310 3.464 2.565 2.565 2.565 . 0 0 "[ ]" 1
97 1 11 DG H2' 1 11 DG H3' 2.239 . 2.687 2.189 2.189 2.189 . 0 0 "[ ]" 1
98 1 6 DT Q2' 1 7 DT H6 2.495 . 2.923 1.830 1.830 1.830 0.166 1 0 "[ ]" 1
99 1 6 DT Q2' 1 7 DT M7 2.417 2.270 2.900 1.708 1.708 1.708 0.562 1 1 [+] 1
100 1 5 DA H2 1 6 DT Q2' 5.300 4.240 6.360 5.114 5.114 5.114 . 0 0 "[ ]" 1
101 1 6 DT Q2' 1 6 DT H6 . . 2.803 2.526 2.526 2.526 . 0 0 "[ ]" 1
102 1 5 DA H2'' 1 6 DT H6 2.649 2.119 3.179 2.103 2.103 2.103 0.016 1 0 "[ ]" 1
103 1 6 DT H3' 1 6 DT H4' 2.811 2.249 3.373 2.566 2.566 2.566 . 0 0 "[ ]" 1
104 1 6 DT H6 1 7 DT H6 5.145 4.116 6.174 4.266 4.266 4.266 . 0 0 "[ ]" 1
105 1 6 DT M7 1 7 DT H6 4.631 3.431 5.831 4.825 4.825 4.825 . 0 0 "[ ]" 1
106 1 5 DA H8 1 6 DT H6 3.957 3.166 4.748 4.852 4.852 4.852 0.104 1 0 "[ ]" 1
107 1 6 DT H1' 1 6 DT M7 5.040 4.032 6.048 5.032 5.032 5.032 . 0 0 "[ ]" 1
108 1 5 DA H1' 1 6 DT M7 3.595 2.876 4.314 3.170 3.170 3.170 . 0 0 "[ ]" 1
109 1 5 DA H2 1 6 DT H1' 3.319 2.655 3.983 4.022 4.022 4.022 0.039 1 0 "[ ]" 1
110 1 5 DA H1' 1 6 DT H6 3.034 2.427 3.641 3.014 3.014 3.014 . 0 0 "[ ]" 1
111 1 6 DT H1' 1 6 DT H6 3.300 2.640 3.960 3.602 3.602 3.602 . 0 0 "[ ]" 1
112 1 6 DT H3' 1 7 DT H6 3.518 2.814 4.222 3.567 3.567 3.567 . 0 0 "[ ]" 1
113 1 5 DA H3' 1 6 DT H6 3.565 2.365 4.765 4.710 4.710 4.710 . 0 0 "[ ]" 1
114 1 6 DT H3' 1 6 DT H6 3.172 2.538 3.806 3.919 3.919 3.919 0.113 1 0 "[ ]" 1
115 1 5 DA H4' 1 6 DT H6 5.185 4.148 6.222 5.718 5.718 5.718 . 0 0 "[ ]" 1
116 1 6 DT H4' 1 6 DT H6 3.436 2.749 4.123 3.724 3.724 3.724 . 0 0 "[ ]" 1
117 1 6 DT H6 1 7 DT M7 2.618 2.094 3.142 2.290 2.290 2.290 . 0 0 "[ ]" 1
118 1 6 DT H6 1 6 DT M7 2.275 . 2.730 2.150 2.150 2.150 . 0 0 "[ ]" 1
119 1 5 DA H8 1 6 DT M7 2.578 . 3.778 2.532 2.532 2.532 . 0 0 "[ ]" 1
120 1 6 DT H1' 1 6 DT Q2' 2.186 2.076 2.623 2.116 2.116 2.116 . 0 0 "[ ]" 1
121 1 6 DT H1' 1 7 DT M7 4.175 3.340 5.010 4.045 4.045 4.045 . 0 0 "[ ]" 1
122 1 5 DA H3' 1 6 DT M7 3.965 2.965 4.965 4.008 4.008 4.008 . 0 0 "[ ]" 1
123 1 6 DT Q2' 1 6 DT H4' 3.160 2.528 3.792 3.328 3.328 3.328 . 0 0 "[ ]" 1
124 1 6 DT H4' 1 7 DT M7 4.778 3.822 5.734 4.491 4.491 4.491 . 0 0 "[ ]" 1
125 1 5 DA H4' 1 6 DT M7 4.947 3.958 5.936 4.862 4.862 4.862 . 0 0 "[ ]" 1
126 1 6 DT H3' 1 7 DT M7 3.366 2.693 4.039 3.233 3.233 3.233 . 0 0 "[ ]" 1
127 1 6 DT Q2' 1 6 DT H3' 2.794 2.671 3.353 2.095 2.095 2.095 0.576 1 1 [+] 1
128 1 5 DA H2'' 1 6 DT H4' 3.840 3.072 4.608 4.470 4.470 4.470 . 0 0 "[ ]" 1
129 1 6 DT H1' 1 6 DT H3' 2.808 2.246 3.370 3.404 3.404 3.404 0.034 1 0 "[ ]" 1
130 1 6 DT H1' 1 6 DT H4' 2.452 . 2.942 3.037 3.037 3.037 0.095 1 0 "[ ]" 1
131 1 1 DC H4' 1 2 DG H1' 5.300 4.240 6.360 6.379 6.379 6.379 0.019 1 0 "[ ]" 1
132 1 1 DC H6 1 2 DG H8 4.419 3.535 5.303 4.914 4.914 4.914 . 0 0 "[ ]" 1
133 1 1 DC H2'' 1 2 DG H8 2.779 2.223 3.335 2.208 2.208 2.208 0.015 1 0 "[ ]" 1
134 1 1 DC H1' 1 2 DG H8 3.730 2.730 4.730 2.725 2.725 2.725 0.005 1 0 "[ ]" 1
135 1 1 DC H2' 1 2 DG H8 2.818 . 3.818 3.875 3.875 3.875 0.057 1 0 "[ ]" 1
136 1 1 DC H3' 1 2 DG H8 3.398 2.718 4.078 3.823 3.823 3.823 . 0 0 "[ ]" 1
137 1 1 DC H4' 1 2 DG H8 3.830 3.064 4.596 4.277 4.277 4.277 . 0 0 "[ ]" 1
138 1 2 DG H1' 1 3 DA H8 2.989 2.391 3.587 3.592 3.592 3.592 0.005 1 0 "[ ]" 1
139 1 2 DG H8 1 3 DA H8 3.641 2.913 4.369 4.390 4.390 4.390 0.021 1 0 "[ ]" 1
140 1 2 DG H3' 1 3 DA H8 3.902 3.122 4.682 4.670 4.670 4.670 . 0 0 "[ ]" 1
141 1 2 DG H1' 1 3 DA H4' 5.300 4.240 6.360 4.925 4.925 4.925 . 0 0 "[ ]" 1
142 1 3 DA H2 1 4 DA H2 3.433 2.746 3.800 3.871 3.871 3.871 0.071 1 0 "[ ]" 1
143 1 3 DA H1' 1 4 DA H8 3.101 2.481 3.721 3.120 3.120 3.120 . 0 0 "[ ]" 1
144 1 3 DA H2'' 1 4 DA H8 2.642 2.114 3.170 2.114 2.114 2.114 0.000 1 0 "[ ]" 1
145 1 4 DA H2'' 1 5 DA H8 2.313 . 2.776 2.675 2.675 2.675 . 0 0 "[ ]" 1
146 1 4 DA H1' 1 5 DA H8 2.914 2.331 3.497 3.074 3.074 3.074 . 0 0 "[ ]" 1
147 1 4 DA H2 1 5 DA H2 3.287 2.630 3.944 3.468 3.468 3.468 . 0 0 "[ ]" 1
148 1 4 DA H3' 1 5 DA H8 3.799 3.039 4.559 4.298 4.298 4.298 . 0 0 "[ ]" 1
149 1 4 DA H4' 1 5 DA H8 5.300 4.240 6.360 5.404 5.404 5.404 . 0 0 "[ ]" 1
150 1 7 DT H2' 1 8 DT M7 2.343 . 2.812 2.165 2.165 2.165 . 0 0 "[ ]" 1
151 1 7 DT H2'' 1 8 DT M7 2.464 . 2.957 1.693 1.693 1.693 0.278 1 0 "[ ]" 1
152 1 7 DT H6 1 8 DT M7 4.833 3.866 5.800 2.906 2.906 2.906 0.960 1 1 [+] 1
153 1 7 DT H1' 1 8 DT M7 3.612 2.890 4.334 3.234 3.234 3.234 . 0 0 "[ ]" 1
154 1 7 DT H3' 1 8 DT M7 5.300 4.240 6.360 3.747 3.747 3.747 0.493 1 0 "[ ]" 1
155 1 8 DT H3' 1 9 DT M7 4.308 3.446 5.170 4.007 4.007 4.007 . 0 0 "[ ]" 1
156 1 8 DT H2' 1 9 DT H6 2.337 . 2.804 2.818 2.818 2.818 0.014 1 0 "[ ]" 1
157 1 8 DT H6 1 9 DT M7 2.412 . 3.212 2.499 2.499 2.499 . 0 0 "[ ]" 1
158 1 8 DT H2'' 1 9 DT H6 2.353 . 2.824 1.915 1.915 1.915 . 0 0 "[ ]" 1
159 1 8 DT H6 1 9 DT H6 4.371 3.497 5.245 4.462 4.462 4.462 . 0 0 "[ ]" 1
160 1 8 DT H2' 1 9 DT M7 2.681 2.145 2.734 1.861 1.861 1.861 0.284 1 0 "[ ]" 1
161 1 8 DT H1' 1 9 DT H6 3.068 2.268 3.868 3.876 3.876 3.876 0.008 1 0 "[ ]" 1
162 1 9 DT H6 1 10 DC H5 3.189 2.551 3.827 3.583 3.583 3.583 . 0 0 "[ ]" 1
163 1 9 DT H1' 1 10 DC H2' 4.127 3.302 4.952 4.956 4.956 4.956 0.004 1 0 "[ ]" 1
164 1 9 DT H2' 1 10 DC H6 2.557 . 3.357 3.447 3.447 3.447 0.090 1 0 "[ ]" 1
165 1 9 DT H2'' 1 10 DC H6 2.379 . 2.855 1.862 1.862 1.862 0.041 1 0 "[ ]" 1
166 1 10 DC H1' 1 11 DG H8 3.367 2.694 4.040 3.217 3.217 3.217 . 0 0 "[ ]" 1
167 1 10 DC H3' 1 11 DG H8 4.026 3.221 4.831 3.741 3.741 3.741 . 0 0 "[ ]" 1
168 1 10 DC H2' 1 11 DG H8 2.988 2.390 3.586 3.646 3.646 3.646 0.060 1 0 "[ ]" 1
169 1 1 DC H4' 1 1 DC H5'' 3.000 . 4.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
170 1 1 DC H4' 1 1 DC H5' 3.000 . 4.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
171 1 1 DC H1' 1 1 DC H5 4.000 2.800 5.200 5.251 5.251 5.251 0.051 1 0 "[ ]" 1
172 1 9 DT H1' 1 10 DC H5 4.000 2.800 5.200 3.757 3.757 3.757 . 0 0 "[ ]" 1
173 1 5 DA H1' 1 6 DT H1' 4.000 2.800 5.200 4.589 4.589 4.589 . 0 0 "[ ]" 1
174 1 4 DA H2'' 1 4 DA H4' 3.000 . 4.000 4.034 4.034 4.034 0.034 1 0 "[ ]" 1
175 1 3 DA H2' 1 3 DA H4' 3.000 . 4.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
176 1 4 DA H2'' 1 4 DA H3' 3.000 . 4.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
177 1 3 DA H2' 1 3 DA H3' 3.000 . 4.000 2.055 2.055 2.055 . 0 0 "[ ]" 1
178 1 2 DG H1' 1 2 DG H2' 3.000 . 4.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
179 1 2 DG H1' 1 2 DG H2'' 3.000 . 4.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
180 1 5 DA H2' 1 5 DA H3' 3.000 . 4.000 2.518 2.518 2.518 . 0 0 "[ ]" 1
181 1 5 DA H1' 1 5 DA H2' 3.000 . 4.000 3.083 3.083 3.083 . 0 0 "[ ]" 1
182 1 11 DG H1' 1 11 DG H2' 3.000 . 4.000 3.080 3.080 3.080 . 0 0 "[ ]" 1
183 1 8 DT H1' 1 8 DT H2'' 3.000 . 4.000 2.348 2.348 2.348 . 0 0 "[ ]" 1
184 1 3 DA H4' 1 3 DA H5' 4.000 2.800 5.200 2.768 2.768 2.768 0.032 1 0 "[ ]" 1
185 1 3 DA H4' 1 3 DA H5'' 4.000 2.800 5.200 2.769 2.769 2.769 0.031 1 0 "[ ]" 1
186 1 4 DA H4' 1 4 DA H5' 4.000 2.800 5.200 2.762 2.762 2.762 0.038 1 0 "[ ]" 1
187 1 4 DA H4' 1 4 DA H5'' 4.000 2.800 5.200 3.098 3.098 3.098 . 0 0 "[ ]" 1
188 1 4 DA H3' 1 4 DA H5' 4.000 2.800 5.200 2.785 2.785 2.785 0.015 1 0 "[ ]" 1
189 1 4 DA H3' 1 4 DA H5'' 4.000 2.800 5.200 3.067 3.067 3.067 . 0 0 "[ ]" 1
190 1 3 DA H3' 1 3 DA H5' 4.000 2.800 5.200 3.690 3.690 3.690 . 0 0 "[ ]" 1
191 1 3 DA H3' 1 3 DA H5'' 4.000 2.800 5.200 2.794 2.794 2.794 0.006 1 0 "[ ]" 1
192 1 10 DC H1' 1 10 DC H4' 4.000 2.800 5.200 3.234 3.234 3.234 . 0 0 "[ ]" 1
193 1 6 DT H1' 1 6 DT H5' 4.000 2.400 5.600 4.665 4.665 4.665 . 0 0 "[ ]" 1
194 1 6 DT H1' 1 6 DT H5'' 4.000 2.400 5.600 4.087 4.087 4.087 . 0 0 "[ ]" 1
195 1 4 DA H1' 1 4 DA H5' 4.000 2.800 5.200 4.987 4.987 4.987 . 0 0 "[ ]" 1
196 1 4 DA H1' 1 4 DA H5'' 4.000 2.800 5.200 4.186 4.186 4.186 . 0 0 "[ ]" 1
197 1 4 DA H3' 1 4 DA H4' 3.000 2.100 3.900 2.695 2.695 2.695 . 0 0 "[ ]" 1
198 1 3 DA H3' 1 3 DA H4' 3.000 2.100 3.900 2.906 2.906 2.906 . 0 0 "[ ]" 1
199 1 3 DA H2'' 1 3 DA H8 3.000 2.100 3.900 3.450 3.450 3.450 . 0 0 "[ ]" 1
200 1 2 DG H2' 1 2 DG H8 3.000 2.100 3.900 2.231 2.231 2.231 . 0 0 "[ ]" 1
201 1 2 DG H2'' 1 2 DG H8 3.000 2.100 3.900 3.428 3.428 3.428 . 0 0 "[ ]" 1
202 1 3 DA H2' 1 4 DA H8 3.000 2.100 3.900 3.914 3.914 3.914 0.014 1 0 "[ ]" 1
203 1 4 DA H2'' 1 4 DA H8 3.000 2.100 3.900 3.655 3.655 3.655 . 0 0 "[ ]" 1
204 1 10 DC H5 1 10 DC H6 3.000 . 4.000 2.365 2.365 2.365 . 0 0 "[ ]" 1
205 1 10 DC H3' 1 10 DC H6 4.000 2.800 5.200 5.022 5.022 5.022 . 0 0 "[ ]" 1
206 1 9 DT H3' 1 10 DC H6 3.000 . 4.000 4.041 4.041 4.041 0.041 1 0 "[ ]" 1
207 1 7 DT H3' 1 8 DT H6 3.000 . 4.300 4.322 4.322 4.322 0.022 1 0 "[ ]" 1
208 1 5 DA H2 2 8 DT H1' 3.000 . 4.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
209 1 8 DT H1' 2 5 DA H2 3.000 . 4.000 3.722 3.722 3.722 . 0 0 "[ ]" 1
210 1 4 DA H2 2 9 DT H1' 4.000 3.000 5.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
211 1 9 DT H1' 2 4 DA H2 4.000 3.000 5.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
212 1 5 DA H1' 1 5 DA H2 4.000 3.000 5.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
213 1 9 DT H1' 1 10 DC H6 3.000 . 4.000 3.015 3.015 3.015 . 0 0 "[ ]" 1
214 1 7 DT H1' 1 7 DT H6 3.000 . 4.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
215 1 7 DT H1' 1 8 DT H6 3.000 . 4.000 2.836 2.836 2.836 . 0 0 "[ ]" 1
216 1 6 DT H1' 1 7 DT H6 3.000 . 4.000 4.018 4.018 4.018 0.018 1 0 "[ ]" 1
217 1 5 DA H2 2 7 DT H1' 5.000 3.800 6.200 4.888 4.888 4.888 . 0 0 "[ ]" 1
218 1 7 DT H1' 2 5 DA H2 5.000 3.800 6.200 4.916 4.916 4.916 . 0 0 "[ ]" 1
219 1 3 DA H2 2 10 DC H1' 4.000 2.800 5.200 4.940 4.940 4.940 . 0 0 "[ ]" 1
220 1 10 DC H1' 2 3 DA H2 4.000 2.800 5.200 4.903 4.903 4.903 . 0 0 "[ ]" 1
221 1 3 DA H2 2 9 DT H1' 5.000 3.800 6.200 4.807 4.807 4.807 . 0 0 "[ ]" 1
222 1 9 DT H1' 2 3 DA H2 5.000 3.800 6.200 4.782 4.782 4.782 . 0 0 "[ ]" 1
223 1 3 DA H1' 1 3 DA H2 5.000 3.800 6.200 4.610 4.610 4.610 . 0 0 "[ ]" 1
224 1 3 DA H2 1 4 DA H1' 5.000 3.800 6.200 5.341 5.341 5.341 . 0 0 "[ ]" 1
225 1 1 DC H1' 1 1 DC H5' 4.490 2.492 6.488 4.764 4.764 4.764 . 0 0 "[ ]" 1
226 1 1 DC H1' 1 1 DC H5'' 3.135 . 4.962 4.444 4.444 4.444 . 0 0 "[ ]" 1
227 1 6 DT Q2' 1 6 DT H5'' 3.269 . 4.368 2.059 2.059 2.059 . 0 0 "[ ]" 1
228 1 6 DT Q2' 1 6 DT H5' 3.269 . 4.368 3.177 3.177 3.177 . 0 0 "[ ]" 1
229 1 1 DC H2'' 1 1 DC H5' 2.985 . 4.882 4.887 4.887 4.887 0.005 1 0 "[ ]" 1
230 1 1 DC H2'' 1 1 DC H5'' 2.985 . 4.882 4.295 4.295 4.295 . 0 0 "[ ]" 1
231 1 2 DG H1' 1 3 DA H5' 3.802 . 4.823 3.269 3.269 3.269 . 0 0 "[ ]" 1
232 1 2 DG H1' 1 3 DA H5'' 3.802 . 4.823 4.826 4.826 4.826 0.003 1 0 "[ ]" 1
233 1 6 DT H1' 1 7 DT H5' 2.452 . 4.242 2.695 2.695 2.695 . 0 0 "[ ]" 1
234 1 6 DT H1' 1 7 DT H5'' 2.452 . 4.242 4.301 4.301 4.301 0.059 1 0 "[ ]" 1
235 1 10 DC H1' 1 10 DC H5' 3.148 . 4.978 4.644 4.644 4.644 . 0 0 "[ ]" 1
236 1 10 DC H1' 1 10 DC H5'' 3.148 . 4.978 4.829 4.829 4.829 . 0 0 "[ ]" 1
237 1 3 DA H1' 1 3 DA H5' 5.203 3.062 7.344 4.537 4.537 4.537 . 0 0 "[ ]" 1
238 1 3 DA H1' 1 3 DA H5'' 5.203 3.062 7.344 4.783 4.783 4.783 . 0 0 "[ ]" 1
239 1 1 DC H5'' 1 1 DC H6 2.985 . 4.882 3.737 3.737 3.737 . 0 0 "[ ]" 1
240 1 1 DC H2' 1 1 DC H5'' 3.288 2.113 5.146 2.917 2.917 2.917 . 0 0 "[ ]" 1
241 1 7 DT H1' 1 7 DT H5' 3.649 . 4.814 4.446 4.446 4.446 . 0 0 "[ ]" 1
242 1 7 DT H1' 1 7 DT H5'' 3.649 . 4.814 4.819 4.819 4.819 0.005 1 0 "[ ]" 1
243 1 1 DC H5 1 1 DC H5'' 5.124 2.999 7.249 6.088 6.088 6.088 . 0 0 "[ ]" 1
244 1 1 DC H3' 1 1 DC H5' 2.827 . 4.692 2.759 2.759 2.759 . 0 0 "[ ]" 1
245 1 1 DC H3' 1 1 DC H5'' 2.827 . 4.692 2.590 2.590 2.590 . 0 0 "[ ]" 1
246 1 6 DT H5' 1 7 DT M7 3.868 . 5.842 3.562 3.562 3.562 . 0 0 "[ ]" 1
247 1 6 DT H5'' 1 7 DT M7 3.868 . 5.842 2.159 2.159 2.159 . 0 0 "[ ]" 1
248 1 1 DC H2' 1 1 DC H5' 4.016 2.113 5.919 4.008 4.008 4.008 . 0 0 "[ ]" 1
249 1 3 DA H5' 1 3 DA H8 3.926 . 5.911 4.719 4.719 4.719 . 0 0 "[ ]" 1
250 1 3 DA H5'' 1 3 DA H8 3.926 . 5.911 5.346 5.346 5.346 . 0 0 "[ ]" 1
251 1 1 DC H5' 1 2 DG H8 4.046 2.137 5.955 5.962 5.962 5.962 0.007 1 0 "[ ]" 1
252 1 1 DC H5'' 1 2 DG H8 4.046 2.137 5.955 5.923 5.923 5.923 . 0 0 "[ ]" 1
253 1 11 DG H1 2 1 DC H41 3.000 2.200 3.800 2.380 2.380 2.380 . 0 0 "[ ]" 1
254 1 1 DC H41 2 11 DG H1 3.000 2.200 3.800 2.379 2.379 2.379 . 0 0 "[ ]" 1
255 1 11 DG H1 2 1 DC H42 3.000 2.200 3.800 3.846 3.846 3.846 0.046 1 0 "[ ]" 1
256 1 1 DC H42 2 11 DG H1 3.000 2.200 3.800 3.845 3.845 3.845 0.045 1 0 "[ ]" 1
257 1 2 DG H1 2 10 DC H5 5.000 3.800 6.200 4.951 4.951 4.951 . 0 0 "[ ]" 1
258 1 10 DC H5 2 2 DG H1 5.000 3.800 6.200 4.957 4.957 4.957 . 0 0 "[ ]" 1
259 1 2 DG H1 2 10 DC H41 3.000 2.500 3.500 2.459 2.459 2.459 0.041 1 0 "[ ]" 1
260 1 10 DC H41 2 2 DG H1 3.000 2.500 3.500 2.462 2.462 2.462 0.038 1 0 "[ ]" 1
261 1 10 DC H41 2 1 DC H41 4.000 3.000 5.000 2.998 2.998 2.998 0.002 1 0 "[ ]" 1
262 1 1 DC H41 2 10 DC H41 4.000 3.000 5.000 2.998 2.998 2.998 0.002 1 0 "[ ]" 1
263 1 10 DC H41 2 1 DC H5 5.000 3.800 6.200 4.609 4.609 4.609 . 0 0 "[ ]" 1
264 1 1 DC H5 2 10 DC H41 5.000 3.800 6.200 4.638 4.638 4.638 . 0 0 "[ ]" 1
265 1 2 DG H1 2 10 DC H42 3.000 2.200 3.800 3.873 3.873 3.873 0.073 1 0 "[ ]" 1
266 1 10 DC H42 2 2 DG H1 3.000 2.200 3.800 3.880 3.880 3.880 0.080 1 0 "[ ]" 1
267 1 9 DT H3 2 3 DA H62 3.000 2.200 3.800 3.882 3.882 3.882 0.082 1 0 "[ ]" 1
268 1 3 DA H62 2 9 DT H3 3.000 2.200 3.800 3.886 3.886 3.886 0.086 1 0 "[ ]" 1
269 1 9 DT H3 2 3 DA H61 3.000 2.700 3.300 2.620 2.620 2.620 0.080 1 0 "[ ]" 1
270 1 3 DA H61 2 9 DT H3 3.000 2.700 3.300 2.621 2.621 2.621 0.079 1 0 "[ ]" 1
271 1 9 DT H3 2 4 DA H62 5.000 3.800 6.200 4.703 4.703 4.703 . 0 0 "[ ]" 1
272 1 4 DA H62 2 9 DT H3 5.000 3.800 6.200 4.638 4.638 4.638 . 0 0 "[ ]" 1
273 1 9 DT H3 2 2 DG H1 5.000 3.800 6.200 3.763 3.763 3.763 0.037 1 0 "[ ]" 1
274 1 2 DG H1 2 9 DT H3 5.000 3.800 6.200 3.804 3.804 3.804 . 0 0 "[ ]" 1
275 1 8 DT H3 2 4 DA H62 3.000 2.200 3.800 3.923 3.923 3.923 0.123 1 0 "[ ]" 1
276 1 4 DA H62 2 8 DT H3 3.000 2.200 3.800 3.921 3.921 3.921 0.121 1 0 "[ ]" 1
277 1 8 DT H3 2 5 DA H2 3.000 2.200 3.800 3.265 3.265 3.265 . 0 0 "[ ]" 1
278 1 5 DA H2 2 8 DT H3 3.000 2.700 3.300 3.334 3.334 3.334 0.034 1 0 "[ ]" 1
279 1 8 DT H3 2 4 DA H61 3.000 2.700 3.300 2.632 2.632 2.632 0.068 1 0 "[ ]" 1
280 1 4 DA H61 2 8 DT H3 3.000 2.700 3.300 2.629 2.629 2.629 0.071 1 0 "[ ]" 1
281 1 8 DT H3 2 3 DA H2 5.000 3.800 6.200 4.541 4.541 4.541 . 0 0 "[ ]" 1
282 1 3 DA H2 2 8 DT H3 5.000 3.800 6.200 4.417 4.417 4.417 . 0 0 "[ ]" 1
283 1 8 DT H3 2 4 DA H2 3.000 2.700 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 1
284 1 4 DA H2 2 8 DT H3 3.000 2.700 3.300 2.846 2.846 2.846 . 0 0 "[ ]" 1
285 1 7 DT H3 2 5 DA H62 3.000 2.200 3.800 3.831 3.831 3.831 0.031 1 0 "[ ]" 1
286 1 5 DA H62 2 7 DT H3 3.000 2.200 3.800 3.832 3.832 3.832 0.032 1 0 "[ ]" 1
287 1 7 DT H3 2 5 DA H61 3.000 2.500 3.500 2.470 2.470 2.470 0.030 1 0 "[ ]" 1
288 1 5 DA H61 2 7 DT H3 3.000 2.500 3.500 2.471 2.471 2.471 0.029 1 0 "[ ]" 1
289 1 7 DT H3 2 5 DA H2 3.000 2.500 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
290 1 5 DA H2 2 7 DT H3 3.000 2.500 3.500 2.855 2.855 2.855 . 0 0 "[ ]" 1
291 1 8 DT H3 1 9 DT H3 5.000 3.800 6.200 3.732 3.732 3.732 0.068 1 0 "[ ]" 1
292 1 2 DG H1 1 3 DA H2 5.000 3.800 6.200 3.854 3.854 3.854 . 0 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 48
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 1.209
_Distance_constraint_stats_list.Viol_max 0.128
_Distance_constraint_stats_list.Viol_rms 0.0303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0252
_Distance_constraint_stats_list.Viol_average_violations_only 0.0432
_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 0.084 0.030 1 0 "[ ]"
1 2 DG 0.161 0.061 1 0 "[ ]"
1 3 DA 0.197 0.128 1 0 "[ ]"
1 4 DA 0.116 0.070 1 0 "[ ]"
1 5 DA 0.054 0.054 1 0 "[ ]"
1 7 DT 0.054 0.054 1 0 "[ ]"
1 8 DT 0.110 0.072 1 0 "[ ]"
1 9 DT 0.191 0.120 1 0 "[ ]"
1 10 DC 0.159 0.063 1 0 "[ ]"
1 11 DG 0.083 0.029 1 0 "[ ]"
2 1 DC 0.083 0.029 1 0 "[ ]"
2 2 DG 0.159 0.063 1 0 "[ ]"
2 3 DA 0.191 0.120 1 0 "[ ]"
2 4 DA 0.110 0.072 1 0 "[ ]"
2 5 DA 0.054 0.054 1 0 "[ ]"
2 7 DT 0.054 0.054 1 0 "[ ]"
2 8 DT 0.116 0.070 1 0 "[ ]"
2 9 DT 0.197 0.128 1 0 "[ ]"
2 10 DC 0.161 0.061 1 0 "[ ]"
2 11 DG 0.084 0.030 1 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 H41 1.670 . 1.870 1.706 1.706 1.706 . 0 0 "[ ]" 2
2 1 11 DG O6 2 1 DC N4 2.950 2.750 3.150 2.721 2.721 2.721 0.029 1 0 "[ ]" 2
3 1 11 DG H1 2 1 DC N3 1.990 . 2.190 1.764 1.764 1.764 0.026 1 0 "[ ]" 2
4 1 11 DG N1 2 1 DC N3 2.900 2.700 3.100 2.782 2.782 2.782 . 0 0 "[ ]" 2
5 1 11 DG H21 2 1 DC O2 1.670 . 1.870 1.708 1.708 1.708 . 0 0 "[ ]" 2
6 1 11 DG N2 2 1 DC O2 2.950 2.750 3.150 2.722 2.722 2.722 0.028 1 0 "[ ]" 2
7 1 1 DC H41 2 11 DG O6 1.670 . 1.870 1.704 1.704 1.704 . 0 0 "[ ]" 2
8 1 1 DC N4 2 11 DG O6 2.950 2.750 3.150 2.720 2.720 2.720 0.030 1 0 "[ ]" 2
9 1 1 DC N3 2 11 DG H1 1.990 . 2.190 1.764 1.764 1.764 0.026 1 0 "[ ]" 2
10 1 1 DC N3 2 11 DG N1 2.900 2.700 3.100 2.782 2.782 2.782 . 0 0 "[ ]" 2
11 1 1 DC O2 2 11 DG H21 1.670 . 1.870 1.707 1.707 1.707 . 0 0 "[ ]" 2
12 1 1 DC O2 2 11 DG N2 2.950 2.750 3.150 2.722 2.722 2.722 0.028 1 0 "[ ]" 2
13 1 2 DG O6 2 10 DC H41 1.670 . 1.770 1.779 1.779 1.779 0.009 1 0 "[ ]" 2
14 1 2 DG O6 2 10 DC N4 2.950 2.850 3.050 2.789 2.789 2.789 0.061 1 0 "[ ]" 2
15 1 2 DG H1 2 10 DC N3 1.990 . 2.090 1.859 1.859 1.859 0.031 1 0 "[ ]" 2
16 1 2 DG N1 2 10 DC N3 2.900 2.800 3.000 2.879 2.879 2.879 . 0 0 "[ ]" 2
17 1 2 DG H21 2 10 DC O2 1.670 . 1.770 1.802 1.802 1.802 0.032 1 0 "[ ]" 2
18 1 2 DG N2 2 10 DC O2 2.950 2.850 3.050 2.822 2.822 2.822 0.028 1 0 "[ ]" 2
19 1 10 DC H41 2 2 DG O6 1.670 . 1.770 1.777 1.777 1.777 0.007 1 0 "[ ]" 2
20 1 10 DC N4 2 2 DG O6 2.950 2.850 3.050 2.787 2.787 2.787 0.063 1 0 "[ ]" 2
21 1 10 DC N3 2 2 DG H1 1.990 . 2.090 1.861 1.861 1.861 0.029 1 0 "[ ]" 2
22 1 10 DC N3 2 2 DG N1 2.900 2.800 3.000 2.878 2.878 2.878 . 0 0 "[ ]" 2
23 1 10 DC O2 2 2 DG H21 1.670 . 1.770 1.801 1.801 1.801 0.031 1 0 "[ ]" 2
24 1 10 DC O2 2 2 DG N2 2.950 2.850 3.050 2.821 2.821 2.821 0.029 1 0 "[ ]" 2
25 1 9 DT H3 2 3 DA N1 1.990 . 2.090 1.770 1.770 1.770 0.120 1 0 "[ ]" 2
26 1 9 DT N3 2 3 DA N1 2.900 2.800 3.000 2.765 2.765 2.765 0.035 1 0 "[ ]" 2
27 1 9 DT O4 2 3 DA H61 1.780 . 1.880 1.915 1.915 1.915 0.035 1 0 "[ ]" 2
28 1 9 DT O4 2 3 DA N6 2.950 2.850 3.050 2.886 2.886 2.886 . 0 0 "[ ]" 2
29 1 3 DA N1 2 9 DT H3 1.990 . 2.090 1.762 1.762 1.762 0.128 1 0 "[ ]" 2
30 1 3 DA N1 2 9 DT N3 2.900 2.800 3.000 2.766 2.766 2.766 0.034 1 0 "[ ]" 2
31 1 3 DA H61 2 9 DT O4 1.780 . 1.880 1.915 1.915 1.915 0.035 1 0 "[ ]" 2
32 1 3 DA N6 2 9 DT O4 2.950 2.850 3.050 2.888 2.888 2.888 . 0 0 "[ ]" 2
33 1 8 DT H3 2 4 DA N1 1.990 . 2.090 1.852 1.852 1.852 0.038 1 0 "[ ]" 2
34 1 8 DT N3 2 4 DA N1 2.900 2.800 3.000 2.856 2.856 2.856 . 0 0 "[ ]" 2
35 1 8 DT O4 2 4 DA H61 1.780 . 1.880 1.790 1.790 1.790 . 0 0 "[ ]" 2
36 1 8 DT O4 2 4 DA N6 2.950 2.850 3.050 2.778 2.778 2.778 0.072 1 0 "[ ]" 2
37 1 4 DA N1 2 8 DT H3 1.990 . 2.090 1.844 1.844 1.844 0.046 1 0 "[ ]" 2
38 1 4 DA N1 2 8 DT N3 2.900 2.800 3.000 2.859 2.859 2.859 . 0 0 "[ ]" 2
39 1 4 DA H61 2 8 DT O4 1.780 . 1.880 1.794 1.794 1.794 . 0 0 "[ ]" 2
40 1 4 DA N6 2 8 DT O4 2.950 2.850 3.050 2.780 2.780 2.780 0.070 1 0 "[ ]" 2
41 1 7 DT H3 2 5 DA N1 1.990 . 2.190 1.736 1.736 1.736 0.054 1 0 "[ ]" 2
42 1 7 DT N3 2 5 DA N1 2.900 2.700 3.100 2.744 2.744 2.744 . 0 0 "[ ]" 2
43 1 7 DT O4 2 5 DA H61 1.780 . 1.980 1.844 1.844 1.844 . 0 0 "[ ]" 2
44 1 7 DT O4 2 5 DA N6 2.950 2.750 3.150 2.844 2.844 2.844 . 0 0 "[ ]" 2
45 1 5 DA N1 2 7 DT H3 1.990 . 2.190 1.736 1.736 1.736 0.054 1 0 "[ ]" 2
46 1 5 DA N1 2 7 DT N3 2.900 2.700 3.100 2.745 2.745 2.745 . 0 0 "[ ]" 2
47 1 5 DA H61 2 7 DT O4 1.780 . 1.980 1.846 1.846 1.846 . 0 0 "[ ]" 2
48 1 5 DA N6 2 7 DT O4 2.950 2.750 3.150 2.846 2.846 2.846 . 0 0 "[ ]" 2
stop_
save_
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