NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655194 |
6yy4   |
34516 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6yy4
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 265
_Distance_constraint_stats_list.Viol_count 462
_Distance_constraint_stats_list.Viol_total 2204.032
_Distance_constraint_stats_list.Viol_max 1.125
_Distance_constraint_stats_list.Viol_rms 0.0990
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0208
_Distance_constraint_stats_list.Viol_average_violations_only 0.2385
_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 DG 9.601 0.562 1 3 "[+ - . * . 2]"
1 2 DG 15.986 0.656 17 3 "[ . 1 - . + *2]"
1 3 DG 0.033 0.018 9 0 "[ . 1 . 2]"
1 5 DG 25.991 1.125 16 17 "[* ****** -*** *+****]"
1 6 DG 25.067 1.125 16 18 "[* *******-*****+** *]"
1 7 DG 4.821 0.585 16 3 "[ . -1 *.+ 2]"
1 10 DG 0.050 0.045 7 0 "[ . 1 . 2]"
1 11 DG 28.820 0.925 7 20 [******+**-**********]
1 12 DG 0.975 0.137 3 0 "[ . 1 . 2]"
1 13 DT 4.827 0.575 4 1 "[ +. 1 . 2]"
1 14 DG 9.611 0.786 9 7 "[ **-. +1 **. * 2]"
1 15 DG 40.480 0.925 7 20 [**-***+*************]
1 16 DG 7.869 0.632 5 2 "[ + - . 2]"
1 17 DA 4.610 0.491 20 0 "[ . 1 . 2]"
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 15 DG H1 1 16 DG H1 4.020 2.820 5.220 4.257 3.883 4.895 . 0 0 "[ . 1 . 2]" 1
2 1 3 DG H1 1 16 DG H1 4.830 3.430 6.230 4.689 4.648 4.714 . 0 0 "[ . 1 . 2]" 1
3 1 12 DG H1 1 16 DG H1 5.080 3.380 6.780 4.710 4.689 4.723 . 0 0 "[ . 1 . 2]" 1
4 1 2 DG H1 1 3 DG H1 4.230 3.030 5.430 4.117 3.732 4.445 . 0 0 "[ . 1 . 2]" 1
5 1 2 DG H1 1 16 DG H1 5.500 3.800 7.200 5.435 4.579 6.537 . 0 0 "[ . 1 . 2]" 1
6 1 3 DG H1 1 7 DG H1 5.020 3.320 6.720 4.709 4.670 4.723 . 0 0 "[ . 1 . 2]" 1
7 1 3 DG H1 1 12 DG H1 5.500 3.800 7.200 6.143 5.450 7.218 0.018 9 0 "[ . 1 . 2]" 1
8 1 12 DG H1 1 15 DG H1 5.120 3.420 6.820 5.083 4.648 5.537 . 0 0 "[ . 1 . 2]" 1
9 1 1 DG H1 1 15 DG H1 5.500 3.800 7.200 4.094 3.860 4.419 . 0 0 "[ . 1 . 2]" 1
10 1 1 DG H1 1 2 DG H1 4.440 3.240 5.640 3.873 3.412 4.248 . 0 0 "[ . 1 . 2]" 1
11 1 1 DG H1 1 14 DG H1 4.980 3.580 6.380 4.685 4.641 4.712 . 0 0 "[ . 1 . 2]" 1
12 1 11 DG H1 1 12 DG H1 4.760 3.360 6.160 4.243 3.910 4.822 . 0 0 "[ . 1 . 2]" 1
13 1 7 DG H1 1 12 DG H1 4.810 3.410 6.210 4.691 4.662 4.713 . 0 0 "[ . 1 . 2]" 1
14 1 1 DG H1 1 5 DG H1 5.050 3.350 6.750 4.714 4.701 4.721 . 0 0 "[ . 1 . 2]" 1
15 1 5 DG H1 1 6 DG H1 4.460 3.260 5.660 3.874 3.508 4.327 . 0 0 "[ . 1 . 2]" 1
16 1 5 DG H1 1 10 DG H1 4.860 3.460 6.260 4.703 4.683 4.716 . 0 0 "[ . 1 . 2]" 1
17 1 1 DG H1 1 6 DG H1 5.500 3.800 7.200 6.479 6.040 6.879 . 0 0 "[ . 1 . 2]" 1
18 1 2 DG H1 1 6 DG H1 4.450 3.250 5.650 4.670 4.633 4.710 . 0 0 "[ . 1 . 2]" 1
19 1 10 DG H1 1 14 DG H1 4.850 3.450 6.250 4.713 4.694 4.721 . 0 0 "[ . 1 . 2]" 1
20 1 7 DG H1 1 11 DG H1 4.740 3.340 6.140 5.226 4.590 5.625 . 0 0 "[ . 1 . 2]" 1
21 1 2 DG H1 1 5 DG H1 5.500 3.800 7.200 4.737 4.300 5.110 . 0 0 "[ . 1 . 2]" 1
22 1 5 DG H1 1 14 DG H1 5.500 3.800 7.200 6.902 6.534 7.236 0.036 20 0 "[ . 1 . 2]" 1
23 1 3 DG H1 1 6 DG H1 5.500 3.800 7.200 5.243 4.490 6.242 . 0 0 "[ . 1 . 2]" 1
24 1 14 DG H1 1 15 DG H1 4.260 3.060 5.460 3.903 3.598 4.238 . 0 0 "[ . 1 . 2]" 1
25 1 15 DG H3' 1 16 DG H8 4.270 3.070 5.470 4.150 3.770 4.895 . 0 0 "[ . 1 . 2]" 1
26 1 15 DG H1' 1 16 DG H8 3.290 2.090 4.490 4.502 4.389 4.595 0.105 5 0 "[ . 1 . 2]" 1
27 1 16 DG H1' 1 17 DA H8 3.490 2.290 4.690 4.411 3.972 4.699 0.009 5 0 "[ . 1 . 2]" 1
28 1 16 DG H3' 1 17 DA H8 4.660 3.260 6.060 4.859 4.092 5.536 . 0 0 "[ . 1 . 2]" 1
29 1 17 DA H3' 1 17 DA H8 3.070 . 4.270 3.023 2.193 4.311 0.041 15 0 "[ . 1 . 2]" 1
30 1 17 DA H5'' 1 17 DA H8 4.370 3.170 5.570 4.392 3.118 5.226 0.052 2 0 "[ . 1 . 2]" 1
31 1 17 DA H4' 1 17 DA H8 4.670 3.270 6.070 4.675 4.358 5.076 . 0 0 "[ . 1 . 2]" 1
32 1 17 DA H5' 1 17 DA H8 4.370 3.170 5.570 4.348 3.645 4.707 . 0 0 "[ . 1 . 2]" 1
33 1 2 DG H3' 1 3 DG H8 4.730 3.330 6.130 4.903 4.200 5.270 . 0 0 "[ . 1 . 2]" 1
34 1 15 DG H3' 1 15 DG H8 5.110 3.410 6.810 4.375 3.708 4.793 . 0 0 "[ . 1 . 2]" 1
35 1 16 DG H1' 1 16 DG H3' 4.040 2.840 5.240 3.894 3.849 3.986 . 0 0 "[ . 1 . 2]" 1
36 1 16 DG H2' 1 16 DG H8 2.730 . 3.930 2.419 2.275 2.682 . 0 0 "[ . 1 . 2]" 1
37 1 16 DG H2'' 1 16 DG H8 3.710 2.510 4.910 3.866 3.729 4.124 . 0 0 "[ . 1 . 2]" 1
38 1 16 DG H4' 1 16 DG H8 5.190 3.490 6.890 4.849 4.532 5.043 . 0 0 "[ . 1 . 2]" 1
39 1 15 DG H2'' 1 16 DG H8 3.690 2.490 4.890 2.495 2.336 2.773 0.154 19 0 "[ . 1 . 2]" 1
40 1 15 DG H2' 1 16 DG H8 2.960 . 4.160 2.547 2.192 3.239 . 0 0 "[ . 1 . 2]" 1
41 1 6 DG H4' 1 6 DG H8 5.080 3.380 6.780 4.845 4.293 5.154 . 0 0 "[ . 1 . 2]" 1
42 1 15 DG H4' 1 15 DG H8 5.490 3.790 7.190 4.598 4.494 4.661 . 0 0 "[ . 1 . 2]" 1
43 1 15 DG H4' 1 16 DG H8 5.500 3.800 7.200 5.938 5.429 6.687 . 0 0 "[ . 1 . 2]" 1
44 1 15 DG H5' 1 15 DG H8 4.200 3.000 5.400 4.706 4.118 5.007 . 0 0 "[ . 1 . 2]" 1
45 1 15 DG H5'' 1 15 DG H8 4.200 3.000 5.400 3.519 2.958 5.042 0.042 5 0 "[ . 1 . 2]" 1
46 1 16 DG H2' 1 17 DA H8 3.730 2.530 4.930 3.644 2.639 3.963 . 0 0 "[ . 1 . 2]" 1
47 1 16 DG H2'' 1 17 DA H8 2.960 . 4.160 2.590 2.482 3.014 . 0 0 "[ . 1 . 2]" 1
48 1 17 DA H1' 1 17 DA H2 5.320 3.620 7.020 4.505 4.471 4.673 . 0 0 "[ . 1 . 2]" 1
49 1 3 DG H8 1 17 DA H2 5.500 3.800 7.200 5.769 4.590 6.948 . 0 0 "[ . 1 . 2]" 1
50 1 2 DG H1' 1 3 DG H8 3.440 2.240 4.640 3.800 3.029 4.363 . 0 0 "[ . 1 . 2]" 1
51 1 16 DG H4' 1 17 DA H8 5.500 3.800 7.200 6.394 5.825 6.939 . 0 0 "[ . 1 . 2]" 1
52 1 15 DG H1' 1 15 DG H3' 3.920 2.720 5.120 3.913 3.853 3.961 . 0 0 "[ . 1 . 2]" 1
53 1 13 DT H3' 1 13 DT H6 2.920 . 4.120 2.154 2.139 2.180 . 0 0 "[ . 1 . 2]" 1
54 1 13 DT H4' 1 13 DT H6 4.260 3.060 5.460 4.301 4.099 4.376 . 0 0 "[ . 1 . 2]" 1
55 1 13 DT H1' 1 13 DT H6 3.250 2.050 4.450 3.656 3.642 3.663 . 0 0 "[ . 1 . 2]" 1
56 1 13 DT H4' 1 13 DT M7 5.500 3.800 7.200 5.766 5.454 5.859 . 0 0 "[ . 1 . 2]" 1
57 1 1 DG H2'' 1 15 DG H1 5.490 3.790 7.190 5.441 5.099 5.740 . 0 0 "[ . 1 . 2]" 1
58 1 1 DG H2' 1 15 DG H1 5.500 3.800 7.200 5.188 4.966 5.491 . 0 0 "[ . 1 . 2]" 1
59 1 11 DG H1 1 14 DG H2'' 5.290 3.590 6.990 6.069 5.691 6.499 . 0 0 "[ . 1 . 2]" 1
60 1 11 DG H1 1 14 DG H2' 5.500 3.800 7.200 5.657 5.284 5.926 . 0 0 "[ . 1 . 2]" 1
61 1 2 DG H1' 1 2 DG H8 3.810 2.610 5.010 3.880 3.843 3.891 . 0 0 "[ . 1 . 2]" 1
62 1 2 DG H3' 1 2 DG H8 4.520 3.120 5.920 4.321 3.352 4.650 . 0 0 "[ . 1 . 2]" 1
63 1 2 DG H2' 1 2 DG H8 2.990 . 4.190 2.561 2.303 2.980 . 0 0 "[ . 1 . 2]" 1
64 1 2 DG H2'' 1 2 DG H8 3.530 2.330 4.730 3.976 3.796 4.284 . 0 0 "[ . 1 . 2]" 1
65 1 2 DG H4' 1 2 DG H8 5.090 3.390 6.790 4.777 4.621 4.860 . 0 0 "[ . 1 . 2]" 1
66 1 2 DG H5'' 1 2 DG H8 4.390 3.190 5.590 4.246 3.021 5.035 0.169 8 0 "[ . 1 . 2]" 1
67 1 2 DG H5' 1 2 DG H8 4.390 3.190 5.590 3.698 3.146 4.716 0.044 10 0 "[ . 1 . 2]" 1
68 1 1 DG H3' 1 2 DG H8 3.910 2.710 5.110 4.943 4.802 5.049 . 0 0 "[ . 1 . 2]" 1
69 1 1 DG H2'' 1 1 DG H8 3.110 . 4.310 4.132 3.941 4.354 0.044 8 0 "[ . 1 . 2]" 1
70 1 1 DG H2'' 1 2 DG H8 3.340 2.140 4.540 2.313 2.194 2.582 . 0 0 "[ . 1 . 2]" 1
71 1 1 DG H2' 1 2 DG H8 2.960 . 4.160 3.375 3.183 3.660 . 0 0 "[ . 1 . 2]" 1
72 1 1 DG H5'' 1 1 DG H8 3.670 2.470 4.870 3.265 2.357 4.522 0.113 17 0 "[ . 1 . 2]" 1
73 1 5 DG H1' 1 6 DG H8 3.740 2.540 4.940 3.809 3.131 4.869 . 0 0 "[ . 1 . 2]" 1
74 1 6 DG H3' 1 6 DG H8 3.530 2.330 4.730 4.088 2.685 4.677 . 0 0 "[ . 1 . 2]" 1
75 1 5 DG H4' 1 6 DG H8 5.150 3.450 6.850 6.139 5.763 6.490 . 0 0 "[ . 1 . 2]" 1
76 1 6 DG H5'' 1 6 DG H8 4.460 3.260 5.660 4.633 3.143 5.422 0.117 4 0 "[ . 1 . 2]" 1
77 1 6 DG H5' 1 6 DG H8 4.460 3.260 5.660 3.917 3.513 4.743 . 0 0 "[ . 1 . 2]" 1
78 1 14 DG H1' 1 15 DG H8 4.100 2.900 5.300 3.937 3.125 4.761 . 0 0 "[ . 1 . 2]" 1
79 1 3 DG H8 1 16 DG H1 5.340 3.640 7.040 4.463 4.192 4.994 . 0 0 "[ . 1 . 2]" 1
80 1 11 DG H1' 1 12 DG H8 3.480 2.280 4.680 4.382 3.927 4.722 0.042 5 0 "[ . 1 . 2]" 1
81 1 7 DG H1 1 12 DG H8 5.180 3.480 6.880 4.507 4.257 5.102 . 0 0 "[ . 1 . 2]" 1
82 1 11 DG H1 1 15 DG H8 5.470 3.770 7.170 4.228 4.066 4.472 . 0 0 "[ . 1 . 2]" 1
83 1 2 DG H8 1 15 DG H1 5.380 3.680 7.080 4.056 4.025 4.185 . 0 0 "[ . 1 . 2]" 1
84 1 1 DG H8 1 15 DG H1 4.870 3.470 6.270 4.990 4.688 5.164 . 0 0 "[ . 1 . 2]" 1
85 1 1 DG H1 1 5 DG H8 5.500 3.800 7.200 4.814 4.498 5.059 . 0 0 "[ . 1 . 2]" 1
86 1 10 DG H1' 1 11 DG H8 5.500 3.800 7.200 4.186 3.755 4.703 0.045 7 0 "[ . 1 . 2]" 1
87 1 12 DG H1 1 15 DG H8 5.200 3.500 6.900 5.400 4.832 5.911 . 0 0 "[ . 1 . 2]" 1
88 1 1 DG H5'' 1 2 DG H8 5.500 3.800 7.200 6.556 6.166 6.999 . 0 0 "[ . 1 . 2]" 1
89 1 1 DG H5' 1 2 DG H8 5.480 3.780 7.180 6.848 6.350 7.260 0.080 12 0 "[ . 1 . 2]" 1
90 1 11 DG H3' 1 11 DG H8 5.090 3.390 6.790 4.364 3.641 4.673 . 0 0 "[ . 1 . 2]" 1
91 1 5 DG H3' 1 5 DG H8 4.630 3.230 6.030 4.426 3.080 4.728 0.150 16 0 "[ . 1 . 2]" 1
92 1 13 DT H1' 1 14 DG H3' 5.160 3.460 6.860 5.330 4.534 6.508 . 0 0 "[ . 1 . 2]" 1
93 1 16 DG H1' 1 16 DG H2'' 3.070 . 4.270 2.374 2.313 2.401 . 0 0 "[ . 1 . 2]" 1
94 1 13 DT H1' 1 13 DT M7 4.970 3.570 6.370 5.119 5.107 5.128 . 0 0 "[ . 1 . 2]" 1
95 1 13 DT H1' 1 13 DT H3' 3.520 2.320 4.720 4.010 3.988 4.079 . 0 0 "[ . 1 . 2]" 1
96 1 5 DG H1' 1 5 DG H3' 4.130 2.930 5.330 3.872 3.840 3.929 . 0 0 "[ . 1 . 2]" 1
97 1 11 DG H1' 1 11 DG H3' 4.040 2.840 5.240 3.899 3.860 3.958 . 0 0 "[ . 1 . 2]" 1
98 1 2 DG H1' 1 2 DG H3' 3.860 2.660 5.060 3.879 3.840 3.967 . 0 0 "[ . 1 . 2]" 1
99 1 6 DG H1' 1 6 DG H3' 4.230 3.030 5.430 3.866 3.833 3.934 . 0 0 "[ . 1 . 2]" 1
100 1 1 DG H1' 1 1 DG H3' 4.120 2.920 5.320 3.871 3.846 3.942 . 0 0 "[ . 1 . 2]" 1
101 1 1 DG H1' 1 1 DG H5' 4.790 3.390 6.190 4.796 4.640 4.933 . 0 0 "[ . 1 . 2]" 1
102 1 16 DG H1' 1 17 DA H4' 4.840 3.440 6.240 4.706 3.986 6.049 . 0 0 "[ . 1 . 2]" 1
103 1 1 DG H1' 1 1 DG H4' 4.250 3.050 5.450 3.297 3.142 3.506 . 0 0 "[ . 1 . 2]" 1
104 1 6 DG H1' 1 6 DG H4' 4.620 3.220 6.020 3.303 3.135 3.469 0.085 3 0 "[ . 1 . 2]" 1
105 1 15 DG H1' 1 15 DG H4' 4.280 3.080 5.480 3.095 2.893 3.366 0.187 20 0 "[ . 1 . 2]" 1
106 1 17 DA H1' 1 17 DA H3' 3.990 2.790 5.190 3.880 3.853 3.914 . 0 0 "[ . 1 . 2]" 1
107 1 3 DG H1' 1 3 DG H4' 4.130 2.930 5.330 3.475 3.342 3.739 . 0 0 "[ . 1 . 2]" 1
108 1 12 DG H1' 1 12 DG H4' 4.600 3.200 6.000 3.379 3.274 3.550 . 0 0 "[ . 1 . 2]" 1
109 1 12 DG H1' 1 13 DT H4' 4.800 3.400 6.200 5.153 3.672 6.272 0.072 20 0 "[ . 1 . 2]" 1
110 1 5 DG H1' 1 5 DG H4' 4.600 3.200 6.000 3.345 3.197 3.484 0.003 10 0 "[ . 1 . 2]" 1
111 1 5 DG H1' 1 6 DG H4' 5.290 3.590 6.990 5.113 4.601 6.200 . 0 0 "[ . 1 . 2]" 1
112 1 14 DG H1' 1 14 DG H4' 4.050 2.850 5.250 3.323 3.098 3.424 . 0 0 "[ . 1 . 2]" 1
113 1 11 DG H1' 1 11 DG H4' 3.570 2.370 4.770 3.147 2.877 3.340 . 0 0 "[ . 1 . 2]" 1
114 1 2 DG H1' 1 2 DG H4' 4.210 3.010 5.410 3.322 2.984 3.487 0.026 19 0 "[ . 1 . 2]" 1
115 1 2 DG H2' 1 16 DG H1 5.500 3.800 7.200 5.059 3.797 5.754 0.003 19 0 "[ . 1 . 2]" 1
116 1 2 DG H2'' 1 16 DG H1 5.500 3.800 7.200 5.485 4.771 5.943 . 0 0 "[ . 1 . 2]" 1
117 1 16 DG H1 1 17 DA H2 3.930 2.730 5.130 3.719 3.112 4.378 . 0 0 "[ . 1 . 2]" 1
118 1 2 DG H8 1 16 DG H1 4.540 3.140 5.940 4.796 4.303 5.309 . 0 0 "[ . 1 . 2]" 1
119 1 7 DG H1 1 11 DG H8 5.500 3.800 7.200 5.388 4.955 6.194 . 0 0 "[ . 1 . 2]" 1
120 1 15 DG H2' 1 15 DG H8 2.810 . 4.010 3.364 3.241 3.504 . 0 0 "[ . 1 . 2]" 1
121 1 11 DG Q2' 1 12 DG H8 2.780 . 3.980 2.285 2.120 2.881 . 0 0 "[ . 1 . 2]" 1
122 1 2 DG H2'' 1 3 DG H8 2.800 . 4.000 2.369 2.193 2.740 . 0 0 "[ . 1 . 2]" 1
123 1 5 DG H2' 1 5 DG H8 3.700 2.500 4.900 2.848 2.463 3.827 0.037 7 0 "[ . 1 . 2]" 1
124 1 17 DA H1' 1 17 DA H8 3.620 2.420 4.820 3.874 3.775 3.892 . 0 0 "[ . 1 . 2]" 1
125 1 6 DG H1' 1 7 DG H8 4.940 3.540 6.340 4.001 3.476 5.144 0.064 6 0 "[ . 1 . 2]" 1
126 1 5 DG H1' 1 6 DG H1' 4.650 3.250 6.050 5.816 5.279 6.213 0.163 18 0 "[ . 1 . 2]" 1
127 1 15 DG H1' 1 16 DG H5' 4.210 3.010 5.410 3.712 3.058 5.518 0.108 5 0 "[ . 1 . 2]" 1
128 1 2 DG H2'' 1 3 DG H3' 5.500 3.800 7.200 5.357 4.846 5.710 . 0 0 "[ . 1 . 2]" 1
129 1 17 DA H2'' 1 17 DA H5'' 4.850 3.450 6.250 4.759 4.605 4.907 . 0 0 "[ . 1 . 2]" 1
130 1 17 DA H2' 1 17 DA H5'' 4.850 3.450 6.250 4.555 3.756 5.356 . 0 0 "[ . 1 . 2]" 1
131 1 17 DA H2' 1 17 DA H5' 4.850 3.450 6.250 4.818 4.151 5.297 . 0 0 "[ . 1 . 2]" 1
132 1 14 DG H2' 1 14 DG H5' 4.660 3.260 6.060 3.670 2.913 4.306 0.347 2 0 "[ . 1 . 2]" 1
133 1 11 DG Q2' 1 11 DG Q5' 5.260 3.560 5.990 3.077 2.776 3.693 0.784 3 13 "[**+ .*** -* **.** *2]" 1
134 1 2 DG H2' 1 2 DG H5'' 4.500 3.300 5.700 3.935 2.774 5.264 0.526 17 2 "[ . 1 - . + 2]" 1
135 1 1 DG H2'' 1 1 DG H5'' 4.280 3.080 5.480 4.573 4.420 4.813 . 0 0 "[ . 1 . 2]" 1
136 1 1 DG H2'' 1 1 DG H5' 4.300 3.100 5.500 4.733 4.348 5.267 . 0 0 "[ . 1 . 2]" 1
137 1 1 DG H2' 1 1 DG H5'' 4.660 3.260 6.060 3.391 3.158 3.884 0.102 6 0 "[ . 1 . 2]" 1
138 1 1 DG H2' 1 1 DG H5' 4.700 3.300 6.100 3.746 3.236 4.298 0.064 6 0 "[ . 1 . 2]" 1
139 1 11 DG Q2' 1 11 DG H4' 4.040 2.840 5.240 3.400 3.012 3.516 . 0 0 "[ . 1 . 2]" 1
140 1 1 DG H5' 1 1 DG H8 4.620 3.220 6.020 4.097 3.216 4.754 0.004 13 0 "[ . 1 . 2]" 1
141 1 13 DT H3' 1 13 DT M7 3.980 2.780 5.180 3.791 3.700 3.869 . 0 0 "[ . 1 . 2]" 1
142 1 2 DG H2' 1 2 DG H5' 4.500 3.300 5.700 3.849 3.569 4.461 . 0 0 "[ . 1 . 2]" 1
143 1 16 DG H2' 1 16 DG H5' 4.740 3.340 6.140 4.131 3.341 4.822 . 0 0 "[ . 1 . 2]" 1
144 1 16 DG H2' 1 16 DG H5'' 4.740 3.340 6.140 4.167 2.708 4.933 0.632 5 2 "[ + - . 2]" 1
145 1 17 DA H2'' 1 17 DA H5' 4.850 3.450 6.250 4.989 4.765 5.257 . 0 0 "[ . 1 . 2]" 1
146 1 14 DG H2' 1 14 DG H5'' 4.660 3.260 6.060 4.136 3.845 4.506 . 0 0 "[ . 1 . 2]" 1
147 1 16 DG H2'' 1 17 DA H4' 5.160 3.460 6.860 4.804 4.542 5.054 . 0 0 "[ . 1 . 2]" 1
148 1 13 DT H5' 1 13 DT H6 4.490 3.290 5.690 3.643 3.215 3.942 0.075 5 0 "[ . 1 . 2]" 1
149 1 13 DT H5'' 1 13 DT H6 4.490 3.290 5.690 3.339 3.065 3.985 0.225 11 0 "[ . 1 . 2]" 1
150 1 13 DT H1' 1 13 DT H5' 5.090 3.390 6.790 4.903 4.087 5.165 . 0 0 "[ . 1 . 2]" 1
151 1 13 DT H1' 1 13 DT H5'' 5.090 3.390 6.790 4.492 4.276 5.132 . 0 0 "[ . 1 . 2]" 1
152 1 12 DG H1' 1 13 DT H5' 4.770 3.370 6.170 4.852 4.425 5.852 . 0 0 "[ . 1 . 2]" 1
153 1 12 DG H1' 1 13 DT H5'' 4.770 3.370 6.170 5.549 3.598 6.242 0.072 13 0 "[ . 1 . 2]" 1
154 1 1 DG H1' 1 1 DG H5'' 4.840 3.440 6.240 4.516 4.241 5.050 . 0 0 "[ . 1 . 2]" 1
155 1 16 DG H1' 1 16 DG H4' 4.000 2.800 5.200 3.255 2.885 3.603 . 0 0 "[ . 1 . 2]" 1
156 1 1 DG H3' 1 1 DG H5'' 3.530 2.330 4.730 2.916 2.413 3.293 . 0 0 "[ . 1 . 2]" 1
157 1 1 DG H3' 1 1 DG H5' 3.370 2.170 4.570 2.644 2.174 3.701 . 0 0 "[ . 1 . 2]" 1
158 1 16 DG H3' 1 16 DG H5' 3.730 2.530 4.930 3.500 2.313 3.693 0.217 5 0 "[ . 1 . 2]" 1
159 1 16 DG H4' 1 16 DG H5' 3.020 . 4.220 2.581 2.444 2.696 . 0 0 "[ . 1 . 2]" 1
160 1 16 DG H4' 1 16 DG H5'' 3.020 . 4.220 2.364 2.222 3.007 . 0 0 "[ . 1 . 2]" 1
161 1 2 DG H3' 1 2 DG H5'' 3.720 2.520 4.920 2.960 2.487 3.599 0.033 17 0 "[ . 1 . 2]" 1
162 1 6 DG H3' 1 6 DG H5'' 4.040 2.840 5.240 2.940 2.521 3.336 0.319 4 0 "[ . 1 . 2]" 1
163 1 16 DG H3' 1 16 DG H5'' 3.730 2.530 4.930 2.839 2.517 3.094 0.013 13 0 "[ . 1 . 2]" 1
164 1 2 DG H3' 1 2 DG H5' 3.720 2.520 4.920 3.263 2.481 3.569 0.039 8 0 "[ . 1 . 2]" 1
165 1 6 DG H3' 1 6 DG H5' 4.040 2.840 5.240 3.472 2.657 3.691 0.183 14 0 "[ . 1 . 2]" 1
166 1 12 DG H3' 1 12 DG H8 4.050 2.850 5.250 4.624 4.166 4.839 . 0 0 "[ . 1 . 2]" 1
167 1 11 DG H3' 1 12 DG H8 5.110 3.410 6.810 4.498 4.000 5.396 . 0 0 "[ . 1 . 2]" 1
168 1 16 DG H3' 1 16 DG H8 5.500 3.800 7.200 4.207 3.736 4.431 0.064 14 0 "[ . 1 . 2]" 1
169 1 2 DG H1' 1 3 DG H3' 5.500 3.800 7.200 6.351 5.453 7.215 0.015 8 0 "[ . 1 . 2]" 1
170 1 11 DG H1' 1 12 DG H3' 5.500 3.800 7.200 6.989 5.838 7.337 0.137 3 0 "[ . 1 . 2]" 1
171 1 3 DG H1' 1 3 DG H3' 4.120 2.920 5.320 3.898 3.857 4.042 . 0 0 "[ . 1 . 2]" 1
172 1 13 DT H3' 1 13 DT H5' 3.680 2.480 4.880 2.579 2.187 3.487 0.293 12 0 "[ . 1 . 2]" 1
173 1 13 DT H3' 1 13 DT H5'' 3.680 2.480 4.880 2.931 2.680 3.258 . 0 0 "[ . 1 . 2]" 1
174 1 16 DG H8 1 17 DA H8 4.680 3.280 6.080 5.484 4.882 5.885 . 0 0 "[ . 1 . 2]" 1
175 1 6 DG H3' 1 7 DG H8 4.780 3.380 6.180 5.346 3.960 6.124 . 0 0 "[ . 1 . 2]" 1
176 1 11 DG Q2' 1 11 DG H8 3.840 2.640 5.040 3.068 2.757 3.424 . 0 0 "[ . 1 . 2]" 1
177 1 5 DG H2'' 1 5 DG H8 3.700 2.500 4.900 4.187 3.896 4.672 . 0 0 "[ . 1 . 2]" 1
178 1 14 DG H2'' 1 15 DG H8 3.100 . 4.300 2.648 2.329 2.991 . 0 0 "[ . 1 . 2]" 1
179 1 12 DG H1 1 15 DG H2'' 5.500 3.800 7.200 6.338 5.703 6.916 . 0 0 "[ . 1 . 2]" 1
180 1 7 DG H1 1 11 DG Q2' 5.500 3.800 7.200 5.041 4.641 5.761 . 0 0 "[ . 1 . 2]" 1
181 1 12 DG H1 1 15 DG H2' 5.500 3.800 7.200 5.262 4.573 6.082 . 0 0 "[ . 1 . 2]" 1
182 1 12 DG H1 1 16 DG H8 5.500 3.800 7.200 5.006 4.509 5.393 . 0 0 "[ . 1 . 2]" 1
183 1 12 DG H1 1 17 DA H2 5.500 3.800 7.200 5.990 4.742 6.614 . 0 0 "[ . 1 . 2]" 1
184 1 6 DG H1 1 11 DG H8 5.500 3.800 7.200 4.433 4.325 4.696 . 0 0 "[ . 1 . 2]" 1
185 1 10 DG H1 1 11 DG H8 5.500 3.800 7.200 5.714 5.131 6.237 . 0 0 "[ . 1 . 2]" 1
186 1 3 DG H1 1 17 DA H2 5.350 3.650 7.050 5.804 4.943 6.532 . 0 0 "[ . 1 . 2]" 1
187 1 2 DG H1 1 5 DG H8 5.500 3.800 7.200 4.900 4.616 5.133 . 0 0 "[ . 1 . 2]" 1
188 1 11 DG H1 1 14 DG H8 5.500 3.800 7.200 5.419 5.089 5.823 . 0 0 "[ . 1 . 2]" 1
189 1 5 DG H5'' 1 5 DG H8 4.430 3.230 5.630 4.276 3.218 4.694 0.012 18 0 "[ . 1 . 2]" 1
190 1 5 DG H5' 1 5 DG H8 4.430 3.230 5.630 3.247 3.081 3.559 0.149 18 0 "[ . 1 . 2]" 1
191 1 15 DG H1' 1 16 DG H5'' 4.210 3.010 5.410 5.044 4.390 5.464 0.054 16 0 "[ . 1 . 2]" 1
192 1 15 DG H1' 1 16 DG H4' 5.440 3.740 7.140 5.780 5.516 6.100 . 0 0 "[ . 1 . 2]" 1
193 1 7 DG H3' 1 7 DG H8 4.750 3.350 6.150 4.478 3.262 4.698 0.088 8 0 "[ . 1 . 2]" 1
194 1 5 DG H3' 1 6 DG H8 3.720 2.520 4.920 4.706 3.743 4.967 0.047 4 0 "[ . 1 . 2]" 1
195 1 14 DG H3' 1 15 DG H8 4.190 2.990 5.390 5.158 4.937 5.471 0.081 6 0 "[ . 1 . 2]" 1
196 1 1 DG H5'' 1 15 DG Q2 5.300 3.600 7.000 4.718 4.034 5.384 . 0 0 "[ . 1 . 2]" 1
197 1 1 DG H3' 1 2 DG Q5' 3.230 2.030 4.430 4.023 3.826 4.093 . 0 0 "[ . 1 . 2]" 1
198 1 1 DG H2'' 1 15 DG Q2 4.250 3.050 5.450 2.790 2.488 3.010 0.562 1 3 "[+ - . * . 2]" 1
199 1 1 DG H2' 1 2 DG Q5' 3.660 2.460 4.860 4.034 3.913 4.235 . 0 0 "[ . 1 . 2]" 1
200 1 1 DG H8 1 15 DG Q2 4.190 2.990 5.390 2.849 2.551 3.131 0.439 14 0 "[ . 1 . 2]" 1
201 1 2 DG H3' 1 2 DG Q5' 3.250 2.050 4.450 2.733 2.281 2.950 . 0 0 "[ . 1 . 2]" 1
202 1 2 DG H2' 1 2 DG Q5' 3.880 2.680 5.080 3.325 2.732 4.233 . 0 0 "[ . 1 . 2]" 1
203 1 2 DG H2'' 1 2 DG Q5' 3.960 2.760 5.160 4.315 3.940 4.530 . 0 0 "[ . 1 . 2]" 1
204 1 2 DG H1' 1 2 DG Q5' 5.060 3.360 6.760 4.124 4.047 4.166 . 0 0 "[ . 1 . 2]" 1
205 1 2 DG Q5' 1 2 DG H8 3.630 2.430 4.830 3.167 2.986 3.426 . 0 0 "[ . 1 . 2]" 1
206 1 2 DG Q2 1 5 DG H8 4.500 3.300 5.700 3.067 2.644 3.404 0.656 17 2 "[ . 1 . + -2]" 1
207 1 2 DG H8 1 15 DG Q2 3.770 2.570 4.970 2.202 2.160 2.289 0.410 19 0 "[ . 1 . 2]" 1
208 1 3 DG Q2' 1 3 DG H8 2.900 . 4.100 2.674 2.173 3.104 . 0 0 "[ . 1 . 2]" 1
209 1 5 DG H3' 1 5 DG Q5' 3.520 2.320 4.720 2.690 2.452 2.975 . 0 0 "[ . 1 . 2]" 1
210 1 5 DG Q2' 1 5 DG Q5' 4.130 2.930 5.330 3.291 2.641 3.969 0.289 18 0 "[ . 1 . 2]" 1
211 1 5 DG H1' 1 5 DG Q5' 4.500 3.300 5.700 4.148 3.986 4.276 . 0 0 "[ . 1 . 2]" 1
212 1 5 DG Q5' 1 5 DG H8 3.860 2.660 5.060 3.136 2.801 3.433 . 0 0 "[ . 1 . 2]" 1
213 1 5 DG H3' 1 6 DG Q5' 4.950 3.550 6.350 4.359 4.054 5.307 . 0 0 "[ . 1 . 2]" 1
214 1 5 DG Q2' 1 5 DG H8 3.040 . 4.240 2.800 2.438 3.662 . 0 0 "[ . 1 . 2]" 1
215 1 5 DG Q2' 1 6 DG Q5' 4.690 3.290 6.090 2.812 2.165 3.657 1.125 16 12 "[* *** * ***- .+ * *]" 1
216 1 5 DG Q2' 1 6 DG H8 3.190 . 4.390 2.210 2.087 2.447 . 0 0 "[ . 1 . 2]" 1
217 1 5 DG H1' 1 6 DG Q5' 4.170 2.970 5.370 2.862 2.186 4.843 0.784 7 12 "[ * **+* -*** * * *]" 1
218 1 6 DG H3' 1 6 DG Q5' 3.440 2.240 4.640 2.783 2.334 3.041 . 0 0 "[ . 1 . 2]" 1
219 1 6 DG H1' 1 6 DG Q5' 4.730 3.330 6.130 4.166 4.130 4.326 . 0 0 "[ . 1 . 2]" 1
220 1 6 DG Q5' 1 6 DG H8 3.740 2.540 4.940 3.568 3.101 4.225 . 0 0 "[ . 1 . 2]" 1
221 1 6 DG Q2' 1 7 DG H8 4.060 2.860 5.260 2.769 2.275 3.284 0.585 16 3 "[ . -1 *.+ 2]" 1
222 1 7 DG Q2' 1 7 DG H8 3.800 2.600 5.000 2.873 2.182 3.136 0.418 4 0 "[ . 1 . 2]" 1
223 1 11 DG H3' 1 11 DG Q5' 3.560 2.360 4.760 2.274 2.175 2.316 0.185 20 0 "[ . 1 . 2]" 1
224 1 11 DG Q2 1 15 DG H8 4.390 3.190 5.590 2.384 2.265 2.558 0.925 7 20 [******+*-***********] 1
225 1 12 DG H1' 1 12 DG Q2' 2.650 . 3.850 2.317 2.284 2.336 . 0 0 "[ . 1 . 2]" 1
226 1 12 DG Q2' 1 12 DG H8 2.740 . 3.940 2.904 2.177 3.202 . 0 0 "[ . 1 . 2]" 1
227 1 12 DG Q2' 1 13 DT Q5' 4.980 3.580 6.380 4.468 3.970 4.908 . 0 0 "[ . 1 . 2]" 1
228 1 12 DG H1' 1 13 DT Q5' 4.000 2.800 5.200 4.350 3.546 4.635 . 0 0 "[ . 1 . 2]" 1
229 1 13 DT H3' 1 13 DT Q5' 2.920 . 4.120 2.392 2.146 2.991 . 0 0 "[ . 1 . 2]" 1
230 1 13 DT Q2' 1 13 DT Q5' 3.920 2.720 5.120 3.671 3.610 3.830 . 0 0 "[ . 1 . 2]" 1
231 1 13 DT H1' 1 13 DT Q5' 4.470 3.270 5.670 4.075 3.935 4.132 . 0 0 "[ . 1 . 2]" 1
232 1 13 DT Q5' 1 13 DT M7 3.950 2.750 5.150 3.814 3.748 3.880 . 0 0 "[ . 1 . 2]" 1
233 1 13 DT Q5' 1 13 DT H6 3.760 2.560 4.960 3.026 2.957 3.099 . 0 0 "[ . 1 . 2]" 1
234 1 13 DT H1' 1 13 DT Q2' 2.550 . 3.750 2.199 2.195 2.201 . 0 0 "[ . 1 . 2]" 1
235 1 13 DT Q2' 1 13 DT M7 3.870 2.670 5.070 3.766 3.728 3.806 . 0 0 "[ . 1 . 2]" 1
236 1 13 DT Q2' 1 13 DT H6 2.370 . 3.570 2.144 2.119 2.164 . 0 0 "[ . 1 . 2]" 1
237 1 13 DT Q2' 1 14 DG H3' 4.090 2.890 5.290 3.582 2.315 4.688 0.575 4 1 "[ +. 1 . 2]" 1
238 1 13 DT H1' 1 14 DG Q5' 5.130 3.430 6.830 5.505 3.742 6.174 . 0 0 "[ . 1 . 2]" 1
239 1 14 DG H3' 1 14 DG Q5' 3.310 2.110 4.510 2.694 2.184 2.945 . 0 0 "[ . 1 . 2]" 1
240 1 14 DG H2' 1 14 DG Q5' 3.870 2.670 5.070 3.364 2.870 3.657 . 0 0 "[ . 1 . 2]" 1
241 1 14 DG H2'' 1 14 DG Q5' 5.250 3.550 6.950 4.359 4.093 4.511 . 0 0 "[ . 1 . 2]" 1
242 1 14 DG H1' 1 14 DG Q5' 5.010 3.310 6.710 4.149 3.999 4.283 . 0 0 "[ . 1 . 2]" 1
243 1 14 DG Q5' 1 14 DG H8 5.030 3.330 6.730 3.078 2.544 3.783 0.786 9 7 "[ ***. +1 -*. * 2]" 1
244 1 14 DG H3' 1 15 DG Q5' 4.230 3.030 5.430 4.377 3.860 4.733 . 0 0 "[ . 1 . 2]" 1
245 1 14 DG H2' 1 15 DG Q5' 5.220 3.520 6.920 4.386 3.921 4.815 . 0 0 "[ . 1 . 2]" 1
246 1 14 DG H2'' 1 15 DG Q5' 4.180 2.980 5.380 3.051 2.817 3.358 0.163 14 0 "[ . 1 . 2]" 1
247 1 14 DG H1' 1 15 DG Q5' 4.280 3.080 5.480 4.359 2.665 4.909 0.415 11 0 "[ . 1 . 2]" 1
248 1 15 DG H3' 1 15 DG Q5' 3.440 2.240 4.640 2.365 2.251 2.868 . 0 0 "[ . 1 . 2]" 1
249 1 15 DG H2'' 1 15 DG Q5' 4.810 3.410 6.210 4.175 3.899 4.472 . 0 0 "[ . 1 . 2]" 1
250 1 15 DG H2' 1 15 DG Q5' 4.640 3.240 6.040 3.431 2.664 4.497 0.576 5 2 "[ + - . 2]" 1
251 1 15 DG H1' 1 15 DG Q5' 4.590 3.190 5.990 4.162 4.096 4.260 . 0 0 "[ . 1 . 2]" 1
252 1 15 DG Q5' 1 15 DG H8 3.680 2.480 4.880 3.324 2.921 4.046 . 0 0 "[ . 1 . 2]" 1
253 1 15 DG H2' 1 16 DG Q5' 4.920 3.520 6.320 4.013 3.284 4.725 0.236 10 0 "[ . 1 . 2]" 1
254 1 15 DG H1' 1 16 DG Q5' 3.580 2.380 4.780 3.532 3.003 4.243 . 0 0 "[ . 1 . 2]" 1
255 1 16 DG Q5' 1 16 DG H8 3.820 2.620 5.020 3.658 2.187 4.381 0.433 5 0 "[ . 1 . 2]" 1
256 1 16 DG H3' 1 17 DA Q5' 5.340 3.640 7.040 4.350 3.893 5.251 . 0 0 "[ . 1 . 2]" 1
257 1 16 DG H2' 1 17 DA Q5' 5.050 3.350 6.750 4.422 4.048 4.686 . 0 0 "[ . 1 . 2]" 1
258 1 16 DG H2'' 1 17 DA Q5' 4.070 2.870 5.270 2.966 2.533 3.427 0.337 9 0 "[ . 1 . 2]" 1
259 1 16 DG H1' 1 17 DA Q5' 3.880 2.680 5.080 2.995 2.189 4.536 0.491 20 0 "[ . 1 . 2]" 1
260 1 17 DA H3' 1 17 DA Q5' 3.650 2.450 4.850 2.619 2.193 3.045 0.257 17 0 "[ . 1 . 2]" 1
261 1 17 DA Q2' 1 17 DA Q5' 3.480 2.280 4.680 3.722 3.387 3.970 . 0 0 "[ . 1 . 2]" 1
262 1 17 DA H1' 1 17 DA Q5' 4.730 3.330 6.130 4.281 4.126 4.454 . 0 0 "[ . 1 . 2]" 1
263 1 17 DA Q5' 1 17 DA H8 3.670 2.470 4.870 3.753 3.075 4.377 . 0 0 "[ . 1 . 2]" 1
264 1 17 DA H1' 1 17 DA Q2' 2.650 . 3.850 2.257 2.217 2.319 . 0 0 "[ . 1 . 2]" 1
265 1 17 DA Q2' 1 17 DA H8 2.650 . 3.850 2.649 2.168 3.327 . 0 0 "[ . 1 . 2]" 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 293
_Distance_constraint_stats_list.Viol_total 219.899
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0207
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.0375
_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 DG 1.503 0.043 11 0 "[ . 1 . 2]"
1 2 DG 2.836 0.120 13 0 "[ . 1 . 2]"
1 3 DG 1.632 0.043 10 0 "[ . 1 . 2]"
1 5 DG 1.462 0.040 9 0 "[ . 1 . 2]"
1 6 DG 1.479 0.042 19 0 "[ . 1 . 2]"
1 7 DG 1.600 0.043 5 0 "[ . 1 . 2]"
1 10 DG 1.461 0.040 15 0 "[ . 1 . 2]"
1 11 DG 1.927 0.077 6 0 "[ . 1 . 2]"
1 12 DG 1.636 0.043 5 0 "[ . 1 . 2]"
1 14 DG 1.502 0.043 11 0 "[ . 1 . 2]"
1 15 DG 3.284 0.120 13 0 "[ . 1 . 2]"
1 16 DG 1.667 0.043 10 0 "[ . 1 . 2]"
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 DG H21 1 5 DG N7 2.000 . 2.200 2.083 1.866 2.206 0.006 13 0 "[ . 1 . 2]" 2
2 1 5 DG H21 1 10 DG N7 2.000 . 2.200 2.056 1.954 2.194 . 0 0 "[ . 1 . 2]" 2
3 1 10 DG H21 1 14 DG N7 2.000 . 2.200 1.980 1.872 2.067 . 0 0 "[ . 1 . 2]" 2
4 1 1 DG N7 1 14 DG H21 2.000 . 2.200 1.920 1.855 2.063 . 0 0 "[ . 1 . 2]" 2
5 1 1 DG N2 1 5 DG N7 2.900 2.600 3.200 3.091 2.874 3.210 0.010 13 0 "[ . 1 . 2]" 2
6 1 5 DG N2 1 10 DG N7 2.900 2.600 3.200 3.062 2.958 3.195 . 0 0 "[ . 1 . 2]" 2
7 1 10 DG N2 1 14 DG N7 2.900 2.600 3.200 2.987 2.873 3.075 . 0 0 "[ . 1 . 2]" 2
8 1 1 DG N7 1 14 DG N2 2.900 2.600 3.200 2.921 2.850 3.073 . 0 0 "[ . 1 . 2]" 2
9 1 1 DG H1 1 5 DG O6 2.000 . 2.200 2.236 2.233 2.240 0.040 9 0 "[ . 1 . 2]" 2
10 1 5 DG H1 1 10 DG O6 2.000 . 2.200 2.236 2.235 2.239 0.039 12 0 "[ . 1 . 2]" 2
11 1 10 DG H1 1 14 DG O6 2.000 . 2.200 2.237 2.232 2.240 0.040 15 0 "[ . 1 . 2]" 2
12 1 1 DG O6 1 14 DG H1 2.000 . 2.200 2.238 2.235 2.243 0.043 11 0 "[ . 1 . 2]" 2
13 1 1 DG N1 1 5 DG O6 2.900 2.600 3.200 3.164 3.113 3.195 . 0 0 "[ . 1 . 2]" 2
14 1 5 DG N1 1 10 DG O6 2.900 2.600 3.200 3.117 3.065 3.164 . 0 0 "[ . 1 . 2]" 2
15 1 10 DG N1 1 14 DG O6 2.900 2.600 3.200 3.172 3.118 3.204 0.004 19 0 "[ . 1 . 2]" 2
16 1 1 DG O6 1 14 DG N1 2.900 2.600 3.200 3.099 3.016 3.155 . 0 0 "[ . 1 . 2]" 2
17 1 2 DG H21 1 6 DG N7 2.000 . 2.200 2.049 1.896 2.199 . 0 0 "[ . 1 . 2]" 2
18 1 6 DG H21 1 11 DG N7 2.000 . 2.200 1.925 1.869 2.073 . 0 0 "[ . 1 . 2]" 2
19 1 11 DG H21 1 15 DG N7 2.000 . 2.200 1.837 1.820 1.861 . 0 0 "[ . 1 . 2]" 2
20 1 2 DG N7 1 15 DG H21 2.000 . 2.200 1.790 1.777 1.802 0.023 13 0 "[ . 1 . 2]" 2
21 1 2 DG N2 1 6 DG N7 2.900 2.600 3.200 3.037 2.871 3.206 0.006 9 0 "[ . 1 . 2]" 2
22 1 6 DG N2 1 11 DG N7 2.900 2.600 3.200 2.927 2.871 3.083 . 0 0 "[ . 1 . 2]" 2
23 1 11 DG N2 1 15 DG N7 2.900 2.600 3.200 2.824 2.796 2.859 . 0 0 "[ . 1 . 2]" 2
24 1 2 DG N7 1 15 DG N2 2.900 2.600 3.200 2.750 2.730 2.767 . 0 0 "[ . 1 . 2]" 2
25 1 2 DG H1 1 6 DG O6 2.000 . 2.200 2.235 2.233 2.237 0.037 3 0 "[ . 1 . 2]" 2
26 1 6 DG H1 1 11 DG O6 2.000 . 2.200 2.239 2.233 2.242 0.042 19 0 "[ . 1 . 2]" 2
27 1 11 DG H1 1 15 DG O6 2.000 . 2.200 2.257 2.237 2.277 0.077 6 0 "[ . 1 . 2]" 2
28 1 2 DG O6 1 15 DG H1 2.000 . 2.200 2.297 2.275 2.320 0.120 13 0 "[ . 1 . 2]" 2
29 1 2 DG N1 1 6 DG O6 2.900 2.600 3.200 3.040 2.980 3.118 . 0 0 "[ . 1 . 2]" 2
30 1 6 DG N1 1 11 DG O6 2.900 2.600 3.200 3.104 3.070 3.143 . 0 0 "[ . 1 . 2]" 2
31 1 11 DG N1 1 15 DG O6 2.900 2.600 3.200 3.091 3.054 3.124 . 0 0 "[ . 1 . 2]" 2
32 1 2 DG O6 1 15 DG N1 2.900 2.600 3.200 3.110 3.067 3.156 . 0 0 "[ . 1 . 2]" 2
33 1 3 DG H21 1 7 DG N7 2.000 . 2.200 1.991 1.867 2.198 . 0 0 "[ . 1 . 2]" 2
34 1 7 DG H21 1 12 DG N7 2.000 . 2.200 2.084 1.909 2.204 0.004 6 0 "[ . 1 . 2]" 2
35 1 12 DG H21 1 16 DG N7 2.000 . 2.200 2.073 1.919 2.207 0.007 12 0 "[ . 1 . 2]" 2
36 1 3 DG N7 1 16 DG H21 2.000 . 2.200 1.995 1.859 2.177 . 0 0 "[ . 1 . 2]" 2
37 1 3 DG N2 1 7 DG N7 2.900 2.600 3.200 2.985 2.871 3.207 0.007 2 0 "[ . 1 . 2]" 2
38 1 7 DG N2 1 12 DG N7 2.900 2.600 3.200 3.082 2.911 3.201 0.001 6 0 "[ . 1 . 2]" 2
39 1 12 DG N2 1 16 DG N7 2.900 2.600 3.200 3.066 2.927 3.214 0.014 9 0 "[ . 1 . 2]" 2
40 1 3 DG N7 1 16 DG N2 2.900 2.600 3.200 2.994 2.857 3.179 . 0 0 "[ . 1 . 2]" 2
41 1 3 DG H1 1 7 DG O6 2.000 . 2.200 2.235 2.228 2.240 0.040 6 0 "[ . 1 . 2]" 2
42 1 7 DG H1 1 12 DG O6 2.000 . 2.200 2.236 2.233 2.243 0.043 5 0 "[ . 1 . 2]" 2
43 1 12 DG H1 1 16 DG O6 2.000 . 2.200 2.234 2.228 2.239 0.039 16 0 "[ . 1 . 2]" 2
44 1 3 DG O6 1 16 DG H1 2.000 . 2.200 2.237 2.232 2.243 0.043 10 0 "[ . 1 . 2]" 2
45 1 3 DG N1 1 7 DG O6 2.900 2.600 3.200 3.183 3.061 3.227 0.027 13 0 "[ . 1 . 2]" 2
46 1 7 DG N1 1 12 DG O6 2.900 2.600 3.200 3.084 3.007 3.204 0.004 9 0 "[ . 1 . 2]" 2
47 1 12 DG N1 1 16 DG O6 2.900 2.600 3.200 3.193 3.106 3.231 0.031 7 0 "[ . 1 . 2]" 2
48 1 3 DG O6 1 16 DG N1 2.900 2.600 3.200 3.093 3.015 3.212 0.012 9 0 "[ . 1 . 2]" 2
stop_
save_
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