NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379327 |
1hwv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hwv
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 371
_Distance_constraint_stats_list.Viol_count 338
_Distance_constraint_stats_list.Viol_total 164.927
_Distance_constraint_stats_list.Viol_max 0.263
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0697
_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 0.894 0.087 2 0 "[ . ]"
1 2 DC 4.393 0.244 3 0 "[ . ]"
1 3 DA 2.257 0.244 3 0 "[ . ]"
1 4 DT 1.245 0.163 2 0 "[ . ]"
1 5 DC 0.560 0.077 6 0 "[ . ]"
1 6 DG 1.122 0.168 1 0 "[ . ]"
1 7 DC 1.241 0.168 1 0 "[ . ]"
1 8 DT 0.681 0.095 4 0 "[ . ]"
1 9 DA 0.776 0.074 1 0 "[ . ]"
1 10 DC 1.337 0.123 7 0 "[ . ]"
1 11 DC 0.736 0.123 7 0 "[ . ]"
2 1 DG 0.126 0.054 5 0 "[ . ]"
2 2 DG 1.075 0.103 6 0 "[ . ]"
2 3 DT 1.706 0.120 1 0 "[ . ]"
2 4 DA 2.227 0.134 7 0 "[ . ]"
2 5 DG 1.329 0.167 7 0 "[ . ]"
2 6 DC 2.810 0.263 3 0 "[ . ]"
2 7 DG 0.655 0.215 3 0 "[ . ]"
2 8 DA 1.127 0.180 1 0 "[ . ]"
2 9 DT 2.386 0.198 2 0 "[ . ]"
2 10 DG 1.312 0.198 2 0 "[ . ]"
2 11 DG 0.000 0.000 . 0 "[ . ]"
3 1 BPI 2.530 0.215 3 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 H6 3.330 2.830 3.830 3.648 3.631 3.657 . 0 0 "[ . ]" 1
2 1 1 DC H2' 1 1 DC H6 2.550 2.120 2.980 2.393 2.371 2.410 . 0 0 "[ . ]" 1
3 1 1 DC H3' 1 1 DC H6 3.410 2.900 4.160 3.138 3.095 3.176 . 0 0 "[ . ]" 1
4 1 1 DC H4' 1 1 DC H6 3.730 3.260 4.480 4.369 4.323 4.413 . 0 0 "[ . ]" 1
5 1 1 DC Q5' 1 1 DC H6 3.810 3.420 4.560 3.776 3.629 4.128 . 0 0 "[ . ]" 1
6 1 1 DC H3' 1 1 DC H5 4.350 3.700 5.340 5.410 5.386 5.427 0.087 2 0 "[ . ]" 1
7 1 1 DC H1' 1 1 DC H4' 3.020 2.720 3.500 2.719 2.693 2.746 0.027 6 0 "[ . ]" 1
8 1 1 DC H1' 1 1 DC H2'' 2.380 2.060 2.700 2.276 2.260 2.299 . 0 0 "[ . ]" 1
9 1 1 DC H1' 1 1 DC H3' 4.020 3.440 4.600 4.014 4.004 4.022 . 0 0 "[ . ]" 1
10 1 1 DC H2' 1 1 DC H3' 2.520 2.090 2.950 2.338 2.326 2.346 . 0 0 "[ . ]" 1
11 1 1 DC H6 1 2 DC H5 3.720 3.220 4.220 3.912 3.861 3.939 . 0 0 "[ . ]" 1
12 1 1 DC H1' 1 2 DC H6 3.780 3.280 4.280 4.287 4.235 4.315 0.035 2 0 "[ . ]" 1
13 1 1 DC H2' 1 2 DC H6 2.710 2.370 3.250 2.507 2.494 2.525 . 0 0 "[ . ]" 1
14 1 1 DC H2'' 1 2 DC H6 2.980 2.580 3.480 2.631 2.621 2.649 . 0 0 "[ . ]" 1
15 1 1 DC H3' 1 2 DC H6 3.780 3.200 4.540 4.475 4.431 4.556 0.016 3 0 "[ . ]" 1
16 1 1 DC H3' 1 2 DC H5 4.130 3.500 5.120 4.710 4.644 4.768 . 0 0 "[ . ]" 1
17 1 1 DC H2'' 1 2 DC H5 3.220 2.720 3.970 3.994 3.944 4.011 0.041 4 0 "[ . ]" 1
18 1 2 DC H1' 1 2 DC H6 3.620 3.060 4.180 3.797 3.770 3.835 . 0 0 "[ . ]" 1
19 1 2 DC H2'' 1 2 DC H6 2.820 2.320 3.400 3.595 3.534 3.622 0.222 5 0 "[ . ]" 1
20 1 2 DC H3' 1 2 DC H6 3.330 2.810 4.320 3.613 3.513 3.699 . 0 0 "[ . ]" 1
21 1 2 DC H3' 1 2 DC H5 4.460 3.790 5.450 5.633 5.584 5.694 0.244 1 0 "[ . ]" 1
22 1 2 DC H1' 1 2 DC H2' 3.110 2.810 3.610 3.037 3.007 3.046 . 0 0 "[ . ]" 1
23 1 2 DC H1' 1 2 DC H2'' 2.500 . 2.820 2.315 2.284 2.337 . 0 0 "[ . ]" 1
24 1 2 DC H1' 1 2 DC H3' 3.490 3.140 3.840 3.754 3.716 3.776 . 0 0 "[ . ]" 1
25 1 2 DC H1' 1 2 DC H4' 2.960 2.670 3.610 2.821 2.712 2.909 . 0 0 "[ . ]" 1
26 1 2 DC H2' 1 2 DC H3' 2.430 2.010 2.850 2.119 2.104 2.133 . 0 0 "[ . ]" 1
27 1 2 DC H6 1 3 DA H8 4.650 4.070 5.230 4.729 4.672 4.821 . 0 0 "[ . ]" 1
28 1 2 DC H1' 1 3 DA H8 3.760 3.180 4.340 4.040 3.909 4.231 . 0 0 "[ . ]" 1
29 1 2 DC H3' 1 3 DA H8 4.460 4.010 5.210 5.410 5.349 5.454 0.244 3 0 "[ . ]" 1
30 1 2 DC H2' 1 3 DA H8 3.690 3.190 4.190 3.730 3.672 3.869 . 0 0 "[ . ]" 1
31 1 2 DC H2'' 1 3 DA H8 3.090 2.490 3.590 2.942 2.929 2.948 . 0 0 "[ . ]" 1
32 1 3 DA H1' 1 3 DA H8 3.670 3.110 4.230 3.874 3.857 3.926 . 0 0 "[ . ]" 1
33 1 3 DA H2' 1 3 DA H8 2.390 2.070 2.710 2.264 2.244 2.288 . 0 0 "[ . ]" 1
34 1 3 DA H2'' 1 3 DA H8 2.970 2.670 3.570 3.628 3.557 3.679 0.109 1 0 "[ . ]" 1
35 1 3 DA H3' 1 3 DA H8 3.780 3.210 4.530 4.131 3.878 4.329 . 0 0 "[ . ]" 1
36 1 3 DA H4' 1 3 DA H8 5.210 4.410 6.010 5.021 4.867 5.113 . 0 0 "[ . ]" 1
37 1 3 DA H1' 1 3 DA H2' 2.800 2.420 3.180 2.948 2.929 2.968 . 0 0 "[ . ]" 1
38 1 3 DA H1' 1 3 DA H2'' 2.370 2.050 2.690 2.052 2.037 2.060 0.013 5 0 "[ . ]" 1
39 1 3 DA H1' 1 3 DA H2 5.040 4.480 5.600 4.604 4.532 4.694 . 0 0 "[ . ]" 1
40 1 3 DA H2'' 1 3 DA H3' 2.680 2.350 3.010 2.901 2.863 2.951 . 0 0 "[ . ]" 1
41 1 3 DA H1' 1 3 DA H3' 3.640 3.080 4.200 3.803 3.754 3.858 . 0 0 "[ . ]" 1
42 1 3 DA H1' 1 3 DA H4' 3.070 2.760 3.720 2.960 2.888 3.310 . 0 0 "[ . ]" 1
43 1 3 DA H2' 1 3 DA H4' 3.790 3.220 4.360 3.908 3.876 3.928 . 0 0 "[ . ]" 1
44 1 3 DA H2'' 1 3 DA H4' 3.880 3.300 4.460 3.729 3.579 3.956 . 0 0 "[ . ]" 1
45 1 3 DA H8 1 4 DT H6 4.920 4.180 5.660 5.017 4.732 5.321 . 0 0 "[ . ]" 1
46 1 3 DA H1' 1 4 DT H6 3.500 3.000 4.000 3.586 3.477 3.784 . 0 0 "[ . ]" 1
47 1 3 DA H2'' 1 4 DT H6 2.750 2.250 3.500 2.501 2.450 2.565 . 0 0 "[ . ]" 1
48 1 3 DA H2' 1 4 DT H6 3.010 2.510 3.760 3.739 3.499 3.923 0.163 2 0 "[ . ]" 1
49 1 3 DA H3' 1 4 DT H6 4.470 3.770 5.460 5.241 5.020 5.384 . 0 0 "[ . ]" 1
50 1 3 DA H4' 1 4 DT H6 5.500 4.680 6.490 5.999 5.814 6.356 . 0 0 "[ . ]" 1
51 1 3 DA H2 1 4 DT H1' 3.820 3.320 4.570 3.947 3.844 4.101 . 0 0 "[ . ]" 1
52 1 4 DT H1' 1 4 DT H6 3.600 3.100 4.100 3.557 3.535 3.608 . 0 0 "[ . ]" 1
53 1 4 DT H2' 1 4 DT H6 2.350 . 2.740 2.153 2.134 2.162 . 0 0 "[ . ]" 1
54 1 4 DT H2'' 1 4 DT H6 2.960 2.460 3.570 3.640 3.627 3.659 0.089 7 0 "[ . ]" 1
55 1 4 DT H3' 1 4 DT H6 3.620 3.120 4.610 3.278 3.082 3.422 0.038 1 0 "[ . ]" 1
56 1 4 DT H4' 1 4 DT H6 3.980 3.460 4.970 4.211 4.105 4.326 . 0 0 "[ . ]" 1
57 1 4 DT H1' 1 4 DT H2' 2.880 2.490 3.470 2.989 2.961 3.011 . 0 0 "[ . ]" 1
58 1 4 DT H1' 1 4 DT H2'' 2.270 . 2.580 2.229 2.205 2.246 . 0 0 "[ . ]" 1
59 1 4 DT H1' 1 4 DT H3' 3.600 3.060 4.140 3.888 3.834 3.941 . 0 0 "[ . ]" 1
60 1 4 DT H1' 1 4 DT H4' 2.910 2.620 3.410 2.611 2.576 2.656 0.044 4 0 "[ . ]" 1
61 1 4 DT H2' 1 4 DT H3' 2.430 2.110 2.750 2.169 2.160 2.187 . 0 0 "[ . ]" 1
62 1 4 DT H6 1 5 DC H6 4.230 3.600 4.860 4.808 4.744 4.937 0.077 6 0 "[ . ]" 1
63 1 4 DT H6 1 5 DC H5 3.890 3.290 4.490 3.768 3.662 4.070 . 0 0 "[ . ]" 1
64 1 4 DT H1' 1 5 DC H6 3.810 3.350 4.370 4.292 4.216 4.424 0.054 6 0 "[ . ]" 1
65 1 4 DT H2' 1 5 DC H6 3.080 2.770 3.730 3.073 3.004 3.210 . 0 0 "[ . ]" 1
66 1 4 DT H3' 1 5 DC H6 3.840 3.460 4.830 4.711 4.408 4.817 . 0 0 "[ . ]" 1
67 1 4 DT H3' 1 5 DC H5 4.270 3.600 5.260 5.034 4.849 5.105 . 0 0 "[ . ]" 1
68 1 4 DT H2' 1 5 DC H5 3.450 3.000 4.200 3.057 3.028 3.111 . 0 0 "[ . ]" 1
69 1 4 DT H2'' 1 5 DC H5 3.500 3.050 4.250 3.823 3.676 3.949 . 0 0 "[ . ]" 1
70 1 5 DC H1' 1 5 DC H6 3.530 3.030 4.280 3.552 3.518 3.582 . 0 0 "[ . ]" 1
71 1 5 DC H2' 1 5 DC H6 2.300 . 2.620 2.108 2.093 2.127 . 0 0 "[ . ]" 1
72 1 5 DC H2'' 1 5 DC H6 2.690 2.320 3.540 3.595 3.582 3.603 0.063 4 0 "[ . ]" 1
73 1 5 DC H3' 1 5 DC H6 2.740 2.240 3.730 2.569 2.533 2.600 . 0 0 "[ . ]" 1
74 1 5 DC H4' 1 5 DC H6 3.540 3.010 4.530 4.251 4.121 4.330 . 0 0 "[ . ]" 1
75 1 5 DC H1' 1 5 DC H2'' 2.170 . 2.480 2.080 2.063 2.094 . 0 0 "[ . ]" 1
76 1 5 DC H3' 1 5 DC H5 4.430 3.930 5.420 4.981 4.926 5.030 . 0 0 "[ . ]" 1
77 1 5 DC H1' 1 5 DC H3' 3.520 3.010 4.030 3.829 3.789 3.855 . 0 0 "[ . ]" 1
78 1 5 DC H1' 1 5 DC H4' 2.920 2.630 3.500 2.717 2.603 2.847 0.027 6 0 "[ . ]" 1
79 1 5 DC H2' 1 6 DG H8 3.630 3.250 4.210 3.908 3.714 4.059 . 0 0 "[ . ]" 1
80 1 5 DC H2'' 1 6 DG H8 3.490 2.930 4.050 3.230 3.158 3.308 . 0 0 "[ . ]" 1
81 1 5 DC H3' 1 6 DG H8 4.650 4.150 5.640 5.019 4.925 5.212 . 0 0 "[ . ]" 1
82 1 5 DC H1' 3 1 BPI H11 4.090 3.490 5.080 3.558 3.518 3.600 . 0 0 "[ . ]" 1
83 1 5 DC H1' 3 1 BPI H12 4.090 3.100 5.080 4.863 4.691 4.994 . 0 0 "[ . ]" 1
84 1 5 DC H2' 3 1 BPI H11 3.730 3.080 4.720 3.660 3.585 3.828 . 0 0 "[ . ]" 1
85 1 5 DC H2'' 3 1 BPI H11 3.600 2.950 4.590 3.358 3.242 3.552 . 0 0 "[ . ]" 1
86 1 5 DC H1' 3 1 BPI H10 4.690 4.190 5.680 4.928 4.787 5.007 . 0 0 "[ . ]" 1
87 1 5 DC H5 3 1 BPI H10 4.090 3.590 5.080 3.983 3.940 4.026 . 0 0 "[ . ]" 1
88 1 6 DG H1' 1 6 DG H8 3.520 3.000 4.040 3.829 3.793 3.853 . 0 0 "[ . ]" 1
89 1 6 DG H2' 1 6 DG H8 2.340 2.020 2.660 2.310 2.274 2.338 . 0 0 "[ . ]" 1
90 1 6 DG H2'' 1 6 DG H8 2.880 2.490 3.870 3.787 3.726 3.841 . 0 0 "[ . ]" 1
91 1 6 DG H3' 1 6 DG H8 3.670 3.120 4.420 3.927 3.656 4.315 . 0 0 "[ . ]" 1
92 1 6 DG H4' 1 6 DG H8 4.910 4.140 5.680 4.935 4.713 5.065 . 0 0 "[ . ]" 1
93 1 6 DG H1' 1 6 DG H2' 2.800 2.420 3.280 2.900 2.882 2.921 . 0 0 "[ . ]" 1
94 1 6 DG H1' 1 6 DG H2'' 2.370 2.050 2.690 2.053 2.035 2.063 0.015 1 0 "[ . ]" 1
95 1 6 DG H1' 1 6 DG H3' 3.460 2.930 3.990 3.829 3.751 3.873 . 0 0 "[ . ]" 1
96 1 6 DG H1' 1 6 DG H4' 3.110 2.800 3.710 3.001 2.924 3.112 . 0 0 "[ . ]" 1
97 1 6 DG H2'' 1 6 DG H4' 4.150 3.530 4.770 3.663 3.507 3.792 0.023 5 0 "[ . ]" 1
98 1 6 DG H8 1 7 DC H6 4.210 3.650 4.770 4.496 4.394 4.708 . 0 0 "[ . ]" 1
99 1 6 DG H8 1 7 DC H5 3.570 3.020 4.120 3.532 3.406 3.700 . 0 0 "[ . ]" 1
100 1 6 DG H1' 1 7 DC H6 3.290 2.790 3.790 3.828 3.714 3.958 0.168 1 0 "[ . ]" 1
101 1 6 DG H2' 1 7 DC H6 2.940 2.600 3.580 2.882 2.775 3.034 . 0 0 "[ . ]" 1
102 1 6 DG H2'' 1 7 DC H6 2.600 2.100 3.100 2.254 2.208 2.289 . 0 0 "[ . ]" 1
103 1 6 DG H3' 1 7 DC H6 4.250 3.750 5.240 4.516 4.297 4.716 . 0 0 "[ . ]" 1
104 1 6 DG H4' 1 7 DC H6 5.100 4.600 6.090 5.897 5.762 6.004 . 0 0 "[ . ]" 1
105 1 6 DG H1' 1 7 DC H5 4.810 4.190 5.800 4.867 4.794 4.951 . 0 0 "[ . ]" 1
106 1 6 DG H2' 1 7 DC H5 3.400 2.900 4.060 3.195 3.148 3.246 . 0 0 "[ . ]" 1
107 1 6 DG H2'' 1 7 DC H5 3.450 2.950 3.980 3.785 3.602 3.909 . 0 0 "[ . ]" 1
108 1 6 DG H3' 1 7 DC H5 5.250 4.500 6.240 5.315 5.235 5.414 . 0 0 "[ . ]" 1
109 1 6 DG H1' 3 1 BPI H11 4.250 3.750 5.240 3.657 3.631 3.688 0.119 1 0 "[ . ]" 1
110 1 6 DG H1' 3 1 BPI H12 4.500 3.750 5.490 3.759 3.739 3.791 0.011 6 0 "[ . ]" 1
111 1 7 DC H1' 3 1 BPI H2 3.750 3.300 4.740 3.760 3.488 4.525 . 0 0 "[ . ]" 1
112 1 7 DC H1' 1 7 DC H6 3.530 3.030 4.280 3.579 3.509 3.606 . 0 0 "[ . ]" 1
113 1 7 DC H2' 1 7 DC H6 2.350 . 2.670 2.099 2.063 2.152 . 0 0 "[ . ]" 1
114 1 7 DC H2'' 1 7 DC H6 2.750 2.250 3.500 3.537 3.444 3.583 0.083 1 0 "[ . ]" 1
115 1 7 DC H3' 1 7 DC H6 3.860 3.280 4.850 4.018 3.865 4.239 . 0 0 "[ . ]" 1
116 1 7 DC H4' 1 7 DC H6 4.080 3.470 5.070 4.467 4.207 4.674 . 0 0 "[ . ]" 1
117 1 7 DC H1' 1 7 DC H2' 2.910 2.520 3.300 2.992 2.968 3.033 . 0 0 "[ . ]" 1
118 1 7 DC H1' 1 7 DC H2'' 2.310 . 2.630 2.255 2.235 2.294 . 0 0 "[ . ]" 1
119 1 7 DC H1' 1 7 DC H3' 3.870 3.250 4.490 3.909 3.870 3.950 . 0 0 "[ . ]" 1
120 1 7 DC H1' 1 7 DC H4' 2.930 2.640 3.520 2.750 2.623 2.893 0.017 6 0 "[ . ]" 1
121 1 7 DC H2' 1 7 DC H3' 2.500 2.170 2.830 2.473 2.451 2.504 . 0 0 "[ . ]" 1
122 1 7 DC H2'' 1 7 DC H3' 2.720 2.380 3.060 2.896 2.863 2.936 . 0 0 "[ . ]" 1
123 1 7 DC H1' 1 7 DC H5 4.320 3.670 5.310 5.347 5.333 5.360 0.050 5 0 "[ . ]" 1
124 1 7 DC H2'' 1 7 DC H5 4.550 3.880 5.540 5.381 5.287 5.446 . 0 0 "[ . ]" 1
125 1 7 DC H6 1 8 DT H6 4.750 4.200 5.300 5.332 5.296 5.395 0.095 4 0 "[ . ]" 1
126 1 7 DC H1' 1 8 DT H6 3.470 2.970 4.220 3.504 3.306 3.669 . 0 0 "[ . ]" 1
127 1 7 DC H2'' 1 8 DT H6 2.670 2.220 3.140 2.466 2.412 2.497 . 0 0 "[ . ]" 1
128 1 7 DC H3' 1 8 DT H6 4.600 3.790 5.590 5.245 5.009 5.357 . 0 0 "[ . ]" 1
129 1 8 DT H1' 1 8 DT H6 3.650 3.120 4.180 3.504 3.486 3.532 . 0 0 "[ . ]" 1
130 1 8 DT H2'' 1 8 DT H6 2.910 2.520 3.660 3.277 3.235 3.328 . 0 0 "[ . ]" 1
131 1 8 DT H3' 1 8 DT H6 3.280 2.790 4.270 3.614 3.552 3.652 . 0 0 "[ . ]" 1
132 1 8 DT H4' 1 8 DT H6 4.000 3.490 4.990 4.066 3.980 4.174 . 0 0 "[ . ]" 1
133 1 8 DT H1' 1 8 DT H2' 2.700 2.330 3.170 2.998 2.971 3.018 . 0 0 "[ . ]" 1
134 1 8 DT H1' 1 8 DT H2'' 2.240 . 2.650 2.170 2.151 2.183 . 0 0 "[ . ]" 1
135 1 8 DT H1' 1 8 DT H3' 3.620 3.060 4.180 3.820 3.780 3.857 . 0 0 "[ . ]" 1
136 1 8 DT H1' 1 8 DT H4' 2.900 2.610 3.440 2.718 2.577 2.845 0.033 4 0 "[ . ]" 1
137 1 8 DT H6 1 9 DA H8 4.030 3.530 4.780 4.562 4.358 4.660 . 0 0 "[ . ]" 1
138 1 8 DT H1' 1 9 DA H8 3.790 3.310 4.370 4.408 4.376 4.432 0.062 3 0 "[ . ]" 1
139 1 8 DT H2' 1 9 DA H8 3.470 2.930 4.110 3.387 3.286 3.436 . 0 0 "[ . ]" 1
140 1 8 DT H2'' 1 9 DA H8 2.980 2.480 3.480 2.651 2.639 2.675 . 0 0 "[ . ]" 1
141 1 8 DT H3' 1 9 DA H8 3.940 3.540 4.930 4.942 4.901 5.004 0.074 1 0 "[ . ]" 1
142 1 9 DA H1' 1 9 DA H8 3.530 2.990 4.070 3.950 3.923 3.978 . 0 0 "[ . ]" 1
143 1 9 DA H2' 1 9 DA H8 2.300 . 2.620 2.134 2.111 2.150 . 0 0 "[ . ]" 1
144 1 9 DA H2'' 1 9 DA H8 2.810 2.430 3.590 3.553 3.438 3.624 0.034 4 0 "[ . ]" 1
145 1 9 DA H3' 1 9 DA H8 3.450 2.930 4.440 4.296 4.227 4.381 . 0 0 "[ . ]" 1
146 1 9 DA H4' 1 9 DA H8 4.930 4.110 5.920 4.973 4.913 5.066 . 0 0 "[ . ]" 1
147 1 9 DA H1' 1 9 DA H2 4.740 4.030 5.450 4.705 4.664 4.745 . 0 0 "[ . ]" 1
148 1 9 DA H2' 1 9 DA H3' 2.470 2.150 2.790 2.413 2.399 2.434 . 0 0 "[ . ]" 1
149 1 9 DA H2'' 1 9 DA H3' 2.750 2.410 3.090 2.768 2.729 2.803 . 0 0 "[ . ]" 1
150 1 9 DA H1' 1 9 DA H2' 2.680 2.310 3.050 2.931 2.915 2.953 . 0 0 "[ . ]" 1
151 1 9 DA H1' 1 9 DA H2'' 2.350 2.030 2.670 2.164 2.118 2.225 . 0 0 "[ . ]" 1
152 1 9 DA H1' 1 9 DA H3' 3.560 3.030 4.090 3.791 3.685 3.836 . 0 0 "[ . ]" 1
153 1 9 DA H1' 1 9 DA H4' 2.990 2.700 3.540 3.305 3.221 3.331 . 0 0 "[ . ]" 1
154 1 9 DA H2'' 1 9 DA H4' 3.610 3.070 4.150 3.955 3.918 4.001 . 0 0 "[ . ]" 1
155 1 9 DA H8 1 10 DC H6 4.180 3.780 4.780 4.317 4.153 4.559 . 0 0 "[ . ]" 1
156 1 9 DA H8 1 10 DC H5 3.520 3.080 4.160 3.294 3.226 3.402 . 0 0 "[ . ]" 1
157 1 9 DA H1' 1 10 DC H6 3.290 2.790 3.790 3.455 3.265 3.763 . 0 0 "[ . ]" 1
158 1 9 DA H3' 1 10 DC H6 4.070 3.460 5.060 4.760 4.557 4.898 . 0 0 "[ . ]" 1
159 1 9 DA H4' 1 10 DC H6 5.140 4.110 6.170 6.026 5.953 6.090 . 0 0 "[ . ]" 1
160 1 9 DA H2' 1 10 DC H6 2.940 2.590 3.590 3.263 3.108 3.506 . 0 0 "[ . ]" 1
161 1 9 DA H2'' 1 10 DC H6 2.630 2.200 3.060 2.160 2.133 2.184 0.067 5 0 "[ . ]" 1
162 1 9 DA H1' 1 10 DC H5 5.070 4.570 5.820 4.774 4.565 4.940 0.005 3 0 "[ . ]" 1
163 1 9 DA H2' 1 10 DC H5 3.610 3.110 4.600 3.400 3.356 3.461 . 0 0 "[ . ]" 1
164 1 9 DA H2'' 1 10 DC H5 3.440 2.940 4.430 3.540 3.241 3.738 . 0 0 "[ . ]" 1
165 1 9 DA H3' 1 10 DC H5 5.040 4.270 6.030 5.555 5.463 5.622 . 0 0 "[ . ]" 1
166 1 9 DA Q5' 1 10 DC H5 4.660 4.040 5.650 4.887 4.845 4.946 . 0 0 "[ . ]" 1
167 1 9 DA H2 1 10 DC H1' 4.130 3.630 4.880 4.273 4.127 4.411 . 0 0 "[ . ]" 1
168 1 9 DA H1' 2 4 DA H2 5.500 4.400 6.600 5.229 4.970 5.485 . 0 0 "[ . ]" 1
169 1 9 DA H2 2 4 DA H2 2.970 2.580 3.560 3.173 3.143 3.205 . 0 0 "[ . ]" 1
170 1 10 DC H1' 1 10 DC H6 3.400 2.900 3.900 3.495 3.460 3.531 . 0 0 "[ . ]" 1
171 1 10 DC H3' 1 10 DC H6 3.220 2.720 4.210 3.772 3.668 3.926 . 0 0 "[ . ]" 1
172 1 10 DC H4' 1 10 DC H6 4.000 3.490 4.990 4.418 4.241 4.584 . 0 0 "[ . ]" 1
173 1 10 DC H2'' 1 10 DC H6 2.910 2.620 3.500 3.306 3.199 3.348 . 0 0 "[ . ]" 1
174 1 10 DC H1' 1 10 DC H2' 2.750 2.380 3.120 2.940 2.919 2.950 . 0 0 "[ . ]" 1
175 1 10 DC H1' 1 10 DC H2'' 2.220 . 2.530 2.191 2.154 2.217 . 0 0 "[ . ]" 1
176 1 10 DC H1' 1 10 DC H3' 3.640 3.280 4.000 3.876 3.823 3.958 . 0 0 "[ . ]" 1
177 1 10 DC H1' 1 10 DC H4' 2.910 2.450 3.560 2.397 2.366 2.424 0.084 5 0 "[ . ]" 1
178 1 10 DC H2' 1 10 DC H3' 2.420 2.100 2.740 2.368 2.362 2.373 . 0 0 "[ . ]" 1
179 1 10 DC H2'' 1 10 DC H5 4.620 4.030 5.610 5.249 5.201 5.298 . 0 0 "[ . ]" 1
180 1 10 DC H1' 1 10 DC H5 5.500 4.680 6.490 5.263 5.220 5.293 . 0 0 "[ . ]" 1
181 1 10 DC H1' 1 11 DC H6 3.510 3.010 4.010 4.108 4.084 4.133 0.123 7 0 "[ . ]" 1
182 1 10 DC H2' 1 11 DC H6 2.830 2.490 3.330 3.119 2.988 3.218 . 0 0 "[ . ]" 1
183 1 10 DC H3' 1 11 DC H6 3.940 3.290 4.930 4.658 4.582 4.709 . 0 0 "[ . ]" 1
184 1 10 DC H3' 1 11 DC H5 4.810 4.290 5.800 5.510 5.448 5.566 . 0 0 "[ . ]" 1
185 1 10 DC H6 1 11 DC H6 4.390 3.860 4.920 4.275 4.189 4.354 . 0 0 "[ . ]" 1
186 1 10 DC H6 1 11 DC H5 3.300 2.770 3.830 3.458 3.348 3.523 . 0 0 "[ . ]" 1
187 1 10 DC H5 1 11 DC H5 3.450 2.910 3.990 3.622 3.534 3.704 . 0 0 "[ . ]" 1
188 1 10 DC H2'' 1 11 DC H5 3.480 2.980 4.230 3.758 3.665 3.823 . 0 0 "[ . ]" 1
189 1 11 DC H1' 1 11 DC H6 3.450 2.920 3.980 3.591 3.581 3.603 . 0 0 "[ . ]" 1
190 1 11 DC Q2' 1 11 DC H6 2.440 2.010 2.870 2.038 2.008 2.061 0.002 5 0 "[ . ]" 1
191 1 11 DC H3' 1 11 DC H6 2.930 2.430 3.680 2.721 2.687 2.793 . 0 0 "[ . ]" 1
192 1 11 DC H4' 1 11 DC H6 3.810 3.310 4.800 4.589 4.537 4.674 . 0 0 "[ . ]" 1
193 1 11 DC H1' 1 11 DC Q2' 2.550 2.120 2.980 2.188 2.178 2.204 . 0 0 "[ . ]" 1
194 1 11 DC H3' 1 11 DC H5 4.430 3.760 5.200 5.113 5.098 5.137 . 0 0 "[ . ]" 1
195 1 11 DC H1' 1 11 DC H3' 3.820 3.240 4.400 3.902 3.864 3.945 . 0 0 "[ . ]" 1
196 1 11 DC H1' 1 11 DC H4' 2.940 2.650 3.490 2.813 2.796 2.832 . 0 0 "[ . ]" 1
197 1 11 DC Q2' 1 11 DC H3' 2.830 2.400 3.260 2.397 2.386 2.417 0.014 2 0 "[ . ]" 1
198 2 1 DG H1' 2 1 DG H8 3.490 2.990 3.990 3.910 3.900 3.920 . 0 0 "[ . ]" 1
199 2 1 DG H2' 2 1 DG H8 2.520 2.060 2.980 2.574 2.563 2.583 . 0 0 "[ . ]" 1
200 2 1 DG H3' 2 1 DG H8 4.290 3.620 5.280 4.684 4.566 4.742 . 0 0 "[ . ]" 1
201 2 1 DG H4' 2 1 DG H8 4.840 4.110 5.830 5.005 4.948 5.060 . 0 0 "[ . ]" 1
202 2 1 DG Q5' 2 1 DG H8 4.110 3.480 5.100 4.159 3.752 4.447 . 0 0 "[ . ]" 1
203 2 1 DG H2' 2 1 DG H3' 2.390 2.070 2.710 2.362 2.309 2.395 . 0 0 "[ . ]" 1
204 2 1 DG H2'' 2 1 DG H3' 2.660 2.330 2.990 2.733 2.713 2.752 . 0 0 "[ . ]" 1
205 2 1 DG H1' 2 1 DG H3' 3.990 3.600 4.380 3.742 3.716 3.788 . 0 0 "[ . ]" 1
206 2 1 DG H1' 2 1 DG H4' 2.970 2.680 3.560 2.857 2.780 2.889 . 0 0 "[ . ]" 1
207 2 1 DG H1' 2 1 DG H2' 2.810 2.390 3.230 2.994 2.983 2.999 . 0 0 "[ . ]" 1
208 2 1 DG H1' 2 2 DG H8 3.260 2.760 3.760 3.278 3.231 3.377 . 0 0 "[ . ]" 1
209 2 1 DG H3' 2 2 DG H8 4.190 3.560 5.180 5.051 5.021 5.105 . 0 0 "[ . ]" 1
210 2 1 DG H4' 2 2 DG H8 4.690 4.060 5.680 5.674 5.581 5.734 0.054 5 0 "[ . ]" 1
211 2 2 DG H1' 2 2 DG H8 3.320 2.820 3.820 3.833 3.821 3.840 0.020 1 0 "[ . ]" 1
212 2 2 DG H2' 2 2 DG H8 2.260 . 2.570 2.168 2.158 2.178 . 0 0 "[ . ]" 1
213 2 2 DG H2'' 2 2 DG H8 2.950 2.650 3.700 3.586 3.516 3.638 . 0 0 "[ . ]" 1
214 2 2 DG H3' 2 2 DG H8 3.660 3.090 4.650 4.213 4.159 4.288 . 0 0 "[ . ]" 1
215 2 2 DG H4' 2 2 DG H8 4.750 3.990 5.740 4.805 4.680 4.896 . 0 0 "[ . ]" 1
216 2 2 DG H1' 2 2 DG H3' 3.480 2.970 3.990 3.600 3.559 3.623 . 0 0 "[ . ]" 1
217 2 2 DG H1' 2 2 DG H4' 3.000 2.710 3.550 2.736 2.718 2.787 . 0 0 "[ . ]" 1
218 2 2 DG H2'' 2 2 DG H3' 2.630 2.300 3.060 2.757 2.730 2.774 . 0 0 "[ . ]" 1
219 2 2 DG H2' 2 2 DG H4' 3.340 2.840 3.840 3.677 3.598 3.739 . 0 0 "[ . ]" 1
220 2 2 DG H2'' 2 2 DG H4' 3.470 2.950 3.990 3.597 3.564 3.677 . 0 0 "[ . ]" 1
221 2 2 DG H1' 2 2 DG H2' 2.590 2.260 2.920 2.821 2.789 2.860 . 0 0 "[ . ]" 1
222 2 2 DG H1' 2 2 DG H2'' 2.350 2.030 2.670 1.938 1.927 1.954 0.103 6 0 "[ . ]" 1
223 2 2 DG H8 2 3 DT H6 4.600 3.930 5.270 4.935 4.827 5.097 . 0 0 "[ . ]" 1
224 2 2 DG H1' 2 3 DT H6 3.250 2.750 3.800 3.703 3.621 3.788 . 0 0 "[ . ]" 1
225 2 2 DG H2' 2 3 DT H6 3.080 2.770 3.590 3.617 3.571 3.691 0.101 3 0 "[ . ]" 1
226 2 2 DG H2'' 2 3 DT H6 2.670 2.240 3.170 2.367 2.328 2.406 . 0 0 "[ . ]" 1
227 2 2 DG H3' 2 3 DT H6 4.060 3.470 5.050 4.828 4.706 4.952 . 0 0 "[ . ]" 1
228 2 2 DG H4' 2 3 DT H6 5.310 4.780 6.300 5.867 5.694 6.007 . 0 0 "[ . ]" 1
229 2 3 DT H2' 2 3 DT H6 2.200 . 2.510 2.042 1.983 2.072 . 0 0 "[ . ]" 1
230 2 3 DT H2'' 2 3 DT H6 2.800 2.420 3.480 3.537 3.399 3.577 0.097 2 0 "[ . ]" 1
231 2 3 DT H1' 2 3 DT H2' 2.740 2.370 3.110 2.990 2.966 3.021 . 0 0 "[ . ]" 1
232 2 3 DT H1' 2 3 DT H2'' 2.250 . 2.560 2.176 2.164 2.191 . 0 0 "[ . ]" 1
233 2 3 DT H1' 2 3 DT H6 3.400 2.900 3.900 3.669 3.655 3.686 . 0 0 "[ . ]" 1
234 2 3 DT H1' 2 3 DT H3' 3.430 3.100 3.760 3.802 3.719 3.821 0.061 6 0 "[ . ]" 1
235 2 3 DT H1' 2 3 DT H4' 2.930 2.640 3.470 2.632 2.592 2.673 0.048 6 0 "[ . ]" 1
236 2 3 DT H3' 2 3 DT H6 3.350 2.850 4.340 3.699 3.582 3.859 . 0 0 "[ . ]" 1
237 2 3 DT H4' 2 3 DT H6 3.940 3.380 4.930 4.532 4.461 4.633 . 0 0 "[ . ]" 1
238 2 3 DT H6 2 4 DA H8 4.680 3.950 5.410 4.841 4.638 5.438 0.028 5 0 "[ . ]" 1
239 2 3 DT H1' 2 4 DA H8 3.670 3.170 4.170 3.956 3.885 4.027 . 0 0 "[ . ]" 1
240 2 3 DT H2'' 2 4 DA H8 3.010 2.410 3.420 2.834 2.746 2.864 . 0 0 "[ . ]" 1
241 2 3 DT H2' 2 4 DA H8 3.500 3.150 4.150 3.807 3.699 4.231 0.081 5 0 "[ . ]" 1
242 2 3 DT H3' 2 4 DA H8 4.570 3.660 5.480 5.411 5.266 5.470 . 0 0 "[ . ]" 1
243 2 3 DT H4' 2 4 DA H8 4.690 4.030 5.980 6.047 5.988 6.100 0.120 1 0 "[ . ]" 1
244 2 4 DA H1' 2 4 DA H8 3.290 2.790 3.790 3.813 3.803 3.826 0.036 5 0 "[ . ]" 1
245 2 4 DA H2'' 2 4 DA H8 2.860 2.360 3.460 3.578 3.561 3.594 0.134 7 0 "[ . ]" 1
246 2 4 DA H2' 2 4 DA H8 2.300 . 2.800 2.295 2.280 2.321 . 0 0 "[ . ]" 1
247 2 4 DA H3' 2 4 DA H8 3.550 3.020 4.540 4.152 4.110 4.223 . 0 0 "[ . ]" 1
248 2 4 DA H4' 2 4 DA H8 4.870 4.100 5.860 4.988 4.902 5.053 . 0 0 "[ . ]" 1
249 2 4 DA H2' 2 4 DA H4' 3.380 2.870 3.890 3.818 3.794 3.834 . 0 0 "[ . ]" 1
250 2 4 DA H2'' 2 4 DA H4' 3.630 3.080 4.180 3.559 3.517 3.614 . 0 0 "[ . ]" 1
251 2 4 DA H1' 2 4 DA H3' 3.620 3.050 4.190 3.743 3.707 3.771 . 0 0 "[ . ]" 1
252 2 4 DA H1' 2 4 DA H4' 3.000 2.710 3.600 2.694 2.682 2.712 0.028 6 0 "[ . ]" 1
253 2 4 DA H1' 2 4 DA H2' 2.590 2.240 2.940 2.885 2.869 2.895 . 0 0 "[ . ]" 1
254 2 4 DA H1' 2 4 DA H2'' 2.350 . 2.700 1.955 1.952 1.957 0.048 5 0 "[ . ]" 1
255 2 4 DA H1' 2 4 DA H2 4.090 3.590 4.840 4.355 4.329 4.385 . 0 0 "[ . ]" 1
256 2 4 DA H8 2 5 DG H8 4.660 4.080 5.240 4.087 4.051 4.170 0.029 2 0 "[ . ]" 1
257 2 4 DA H1' 2 5 DG H8 3.360 2.840 3.880 3.677 3.607 3.802 . 0 0 "[ . ]" 1
258 2 4 DA H2' 2 5 DG H8 3.110 2.660 3.860 3.322 3.223 3.377 . 0 0 "[ . ]" 1
259 2 4 DA H2'' 2 5 DG H8 2.820 2.200 3.400 2.593 2.568 2.622 . 0 0 "[ . ]" 1
260 2 4 DA H3' 2 5 DG H8 4.400 3.780 5.390 5.278 5.162 5.338 . 0 0 "[ . ]" 1
261 2 4 DA H4' 2 5 DG H8 5.000 4.480 5.990 6.006 5.970 6.046 0.056 7 0 "[ . ]" 1
262 2 5 DG H1' 2 5 DG H8 3.630 3.090 4.170 3.841 3.822 3.865 . 0 0 "[ . ]" 1
263 2 5 DG Q2' 2 5 DG H8 2.570 2.140 3.000 2.154 2.117 2.201 0.023 5 0 "[ . ]" 1
264 2 5 DG H3' 2 5 DG H8 3.540 3.010 4.530 4.544 4.482 4.596 0.066 3 0 "[ . ]" 1
265 2 5 DG H4' 2 5 DG H8 4.400 3.700 5.390 5.186 5.139 5.295 . 0 0 "[ . ]" 1
266 2 5 DG H1' 2 5 DG Q2' 2.610 2.110 3.110 2.234 2.220 2.259 . 0 0 "[ . ]" 1
267 2 5 DG H1' 2 5 DG H3' 3.490 3.140 3.840 3.579 3.551 3.595 . 0 0 "[ . ]" 1
268 2 5 DG H1' 2 5 DG H4' 2.970 2.680 3.520 2.877 2.750 2.916 . 0 0 "[ . ]" 1
269 2 5 DG H8 2 6 DC H6 4.750 4.100 5.400 5.318 5.190 5.373 . 0 0 "[ . ]" 1
270 2 5 DG H8 2 6 DC H5 3.770 3.270 4.350 3.950 3.909 3.995 . 0 0 "[ . ]" 1
271 2 5 DG H1' 2 6 DC H6 3.570 3.070 4.070 3.714 3.577 3.882 . 0 0 "[ . ]" 1
272 2 5 DG H3' 2 6 DC H6 4.460 4.050 5.450 5.061 4.773 5.266 . 0 0 "[ . ]" 1
273 2 5 DG Q2' 2 6 DC H6 3.100 2.600 3.750 2.717 2.564 2.837 0.036 6 0 "[ . ]" 1
274 2 5 DG H1' 2 6 DC H5 4.410 3.910 5.160 4.447 4.319 4.555 . 0 0 "[ . ]" 1
275 2 5 DG H3' 2 6 DC H5 5.110 4.090 6.130 5.627 5.444 5.748 . 0 0 "[ . ]" 1
276 2 5 DG Q2' 2 6 DC H5 3.540 3.040 4.530 2.939 2.873 2.987 0.167 7 0 "[ . ]" 1
277 2 6 DC H1' 2 6 DC H6 3.690 3.140 4.240 3.675 3.646 3.699 . 0 0 "[ . ]" 1
278 2 6 DC H3' 2 6 DC H6 3.390 2.830 4.140 4.380 4.348 4.403 0.263 3 0 "[ . ]" 1
279 2 6 DC H4' 2 6 DC H6 4.000 3.440 4.990 4.909 4.781 5.004 0.014 1 0 "[ . ]" 1
280 2 6 DC H2' 2 6 DC H6 2.260 . 2.590 2.081 2.076 2.084 . 0 0 "[ . ]" 1
281 2 6 DC H2'' 2 6 DC H6 2.880 2.490 3.570 3.117 3.054 3.231 . 0 0 "[ . ]" 1
282 2 6 DC H2' 2 6 DC H5 3.810 3.250 4.560 4.572 4.553 4.585 0.025 4 0 "[ . ]" 1
283 2 6 DC H2'' 2 6 DC H5 5.240 4.520 5.960 5.211 5.172 5.266 . 0 0 "[ . ]" 1
284 2 6 DC H1' 2 6 DC H2' 2.960 2.560 3.460 3.041 3.030 3.053 . 0 0 "[ . ]" 1
285 2 6 DC H1' 2 6 DC H4' 3.200 2.910 3.840 3.062 2.778 3.168 0.132 1 0 "[ . ]" 1
286 2 6 DC H2' 2 6 DC H3' 2.470 2.140 2.900 2.316 2.294 2.343 . 0 0 "[ . ]" 1
287 2 6 DC H6 2 7 DG H8 5.440 4.900 7.430 7.243 7.038 7.480 0.050 1 0 "[ . ]" 1
288 2 6 DC H2'' 2 7 DG H8 3.860 3.210 4.810 4.420 4.257 4.577 . 0 0 "[ . ]" 1
289 2 6 DC H5 3 1 BPI H8 4.300 3.650 4.950 4.524 4.407 4.641 . 0 0 "[ . ]" 1
290 2 6 DC H1' 3 1 BPI H5 3.680 3.030 4.330 3.256 3.129 3.405 . 0 0 "[ . ]" 1
291 2 6 DC H1' 3 1 BPI H7 3.910 3.310 4.660 4.234 4.140 4.358 . 0 0 "[ . ]" 1
292 2 6 DC H1' 3 1 BPI H8 5.020 4.270 6.010 5.120 5.078 5.172 . 0 0 "[ . ]" 1
293 2 6 DC H2' 3 1 BPI H5 4.350 3.600 5.100 4.553 4.516 4.584 . 0 0 "[ . ]" 1
294 2 6 DC H2'' 3 1 BPI H5 3.140 2.390 3.890 2.917 2.886 2.932 . 0 0 "[ . ]" 1
295 2 6 DC H3' 3 1 BPI H5 4.330 3.680 4.980 4.281 4.203 4.392 . 0 0 "[ . ]" 1
296 2 6 DC H2'' 3 1 BPI H7 3.120 2.620 3.870 2.735 2.712 2.763 . 0 0 "[ . ]" 1
297 2 6 DC H3' 3 1 BPI H7 4.750 4.250 5.500 5.226 5.162 5.293 . 0 0 "[ . ]" 1
298 2 6 DC H2'' 3 1 BPI H8 3.510 3.010 4.500 4.063 3.985 4.130 . 0 0 "[ . ]" 1
299 2 6 DC H6 3 1 BPI H7 4.500 3.750 5.490 4.856 4.721 5.045 . 0 0 "[ . ]" 1
300 2 6 DC H6 3 1 BPI H8 4.500 3.750 5.490 4.497 4.377 4.601 . 0 0 "[ . ]" 1
301 2 7 DG H1' 2 7 DG H8 3.950 3.320 4.580 4.008 3.978 4.031 . 0 0 "[ . ]" 1
302 2 7 DG H3' 2 7 DG H8 3.970 3.350 4.960 4.373 4.113 4.599 . 0 0 "[ . ]" 1
303 2 7 DG H4' 2 7 DG H8 4.500 3.880 5.120 4.833 4.665 5.201 0.081 6 0 "[ . ]" 1
304 2 7 DG Q2' 2 7 DG H8 2.650 2.030 3.270 2.468 2.369 2.536 . 0 0 "[ . ]" 1
305 2 7 DG H1' 2 7 DG H4' 3.200 2.910 3.720 3.461 2.817 3.630 0.093 6 0 "[ . ]" 1
306 2 7 DG H8 2 8 DA H8 5.000 4.250 5.750 5.399 5.159 5.729 . 0 0 "[ . ]" 1
307 2 7 DG H1' 2 8 DA H8 3.440 2.940 4.100 3.636 3.495 3.796 . 0 0 "[ . ]" 1
308 2 7 DG Q2' 2 8 DA H8 3.090 2.590 3.640 2.670 2.653 2.692 . 0 0 "[ . ]" 1
309 2 7 DG H3' 2 8 DA H8 4.500 3.750 5.490 5.447 5.410 5.477 . 0 0 "[ . ]" 1
310 2 7 DG H1' 3 1 BPI H5 4.500 3.510 5.490 3.537 3.295 3.809 0.215 3 0 "[ . ]" 1
311 2 8 DA H1' 2 8 DA H8 3.770 3.190 4.350 3.875 3.864 3.892 . 0 0 "[ . ]" 1
312 2 8 DA H2' 2 8 DA H8 2.460 2.130 2.790 2.306 2.297 2.331 . 0 0 "[ . ]" 1
313 2 8 DA H2'' 2 8 DA H8 2.960 2.660 3.710 3.835 3.773 3.890 0.180 1 0 "[ . ]" 1
314 2 8 DA H3' 2 8 DA H8 3.450 3.110 4.440 3.602 3.373 3.890 . 0 0 "[ . ]" 1
315 2 8 DA H4' 2 8 DA H8 4.110 3.460 5.100 4.960 4.871 5.035 . 0 0 "[ . ]" 1
316 2 8 DA H1' 2 8 DA H2' 2.820 2.440 3.300 3.005 2.977 3.033 . 0 0 "[ . ]" 1
317 2 8 DA H1' 2 8 DA H2'' 2.480 2.160 2.900 2.303 2.264 2.383 . 0 0 "[ . ]" 1
318 2 8 DA H1' 2 8 DA H3' 3.720 3.180 4.260 3.986 3.944 4.030 . 0 0 "[ . ]" 1
319 2 8 DA H1' 2 8 DA H4' 3.120 2.830 3.680 2.958 2.935 2.978 . 0 0 "[ . ]" 1
320 2 8 DA H1' 2 8 DA H2 4.270 3.770 4.800 4.396 4.359 4.424 . 0 0 "[ . ]" 1
321 2 8 DA H8 2 9 DT H6 4.760 4.090 5.430 4.783 4.551 5.019 . 0 0 "[ . ]" 1
322 2 8 DA H1' 2 9 DT H6 3.570 3.070 4.220 3.592 3.410 3.704 . 0 0 "[ . ]" 1
323 2 8 DA H2' 2 9 DT H6 3.070 2.770 3.670 3.272 3.065 3.607 . 0 0 "[ . ]" 1
324 2 8 DA H2'' 2 9 DT H6 2.760 2.310 3.260 2.410 2.372 2.480 . 0 0 "[ . ]" 1
325 2 8 DA H3' 2 9 DT H6 4.000 3.350 4.990 5.023 4.987 5.049 0.059 4 0 "[ . ]" 1
326 2 8 DA H4' 2 9 DT H6 4.770 4.340 5.760 5.630 5.475 5.775 0.015 4 0 "[ . ]" 1
327 2 9 DT H1' 2 9 DT H6 3.570 3.020 4.220 3.643 3.628 3.662 . 0 0 "[ . ]" 1
328 2 9 DT H2' 2 9 DT H6 2.270 . 2.650 2.151 2.135 2.164 . 0 0 "[ . ]" 1
329 2 9 DT H2'' 2 9 DT H6 3.010 2.710 3.510 3.629 3.601 3.649 0.139 4 0 "[ . ]" 1
330 2 9 DT H3' 2 9 DT H6 3.540 2.960 4.530 3.915 3.854 4.000 . 0 0 "[ . ]" 1
331 2 9 DT H2' 2 9 DT H3' 2.420 2.100 2.740 2.383 2.366 2.390 . 0 0 "[ . ]" 1
332 2 9 DT H4' 2 9 DT H6 3.710 3.150 4.700 4.417 4.333 4.523 . 0 0 "[ . ]" 1
333 2 9 DT H1' 2 9 DT H2' 3.040 2.590 3.590 3.046 3.032 3.053 . 0 0 "[ . ]" 1
334 2 9 DT H1' 2 9 DT H2'' 2.420 2.100 2.740 2.348 2.335 2.359 . 0 0 "[ . ]" 1
335 2 9 DT H1' 2 9 DT H3' 3.990 3.490 4.490 3.841 3.815 3.871 . 0 0 "[ . ]" 1
336 2 9 DT H1' 2 9 DT H4' 2.980 2.690 3.560 2.861 2.723 2.913 . 0 0 "[ . ]" 1
337 2 9 DT H6 2 10 DG H8 4.600 4.000 5.270 4.165 3.979 4.488 0.021 1 0 "[ . ]" 1
338 2 9 DT H1' 2 10 DG H8 3.500 2.920 4.250 2.987 2.953 3.011 . 0 0 "[ . ]" 1
339 2 9 DT H2' 2 10 DG H8 3.110 2.790 3.630 3.429 3.331 3.560 . 0 0 "[ . ]" 1
340 2 9 DT H2'' 2 10 DG H8 3.040 2.390 3.590 2.751 2.717 2.787 . 0 0 "[ . ]" 1
341 2 9 DT H3' 2 10 DG H8 4.120 3.360 5.110 5.293 5.265 5.308 0.198 2 0 "[ . ]" 1
342 2 10 DG H1' 2 10 DG H8 3.160 2.660 4.150 3.663 3.625 3.692 . 0 0 "[ . ]" 1
343 2 10 DG H2' 2 10 DG H8 2.300 . 2.720 2.029 2.021 2.040 . 0 0 "[ . ]" 1
344 2 10 DG H2'' 2 10 DG H8 2.640 2.210 3.290 3.244 3.187 3.297 0.007 3 0 "[ . ]" 1
345 2 10 DG H3' 2 10 DG H8 3.410 2.880 4.400 4.317 4.288 4.361 . 0 0 "[ . ]" 1
346 2 10 DG H4' 2 10 DG H8 4.470 3.790 5.460 4.853 4.736 4.944 . 0 0 "[ . ]" 1
347 2 10 DG H1' 2 10 DG H2' 2.660 2.290 3.130 2.873 2.863 2.892 . 0 0 "[ . ]" 1
348 2 10 DG H1' 2 10 DG H3' 3.500 2.990 4.010 3.616 3.601 3.638 . 0 0 "[ . ]" 1
349 2 10 DG H1' 2 10 DG H4' 3.100 2.810 3.710 2.985 2.966 3.002 . 0 0 "[ . ]" 1
350 2 10 DG H2' 2 10 DG H4' 3.400 2.890 3.910 3.654 3.639 3.677 . 0 0 "[ . ]" 1
351 2 10 DG H2'' 2 10 DG H4' 3.620 3.080 4.160 3.872 3.851 3.882 . 0 0 "[ . ]" 1
352 2 10 DG H1' 2 11 DG H8 3.500 2.750 4.450 2.783 2.758 2.819 . 0 0 "[ . ]" 1
353 2 11 DG H1' 2 11 DG H8 3.590 3.040 4.140 3.855 3.842 3.866 . 0 0 "[ . ]" 1
354 2 11 DG H2' 2 11 DG H8 2.390 2.070 2.710 2.224 2.203 2.236 . 0 0 "[ . ]" 1
355 2 11 DG H3' 2 11 DG H8 3.450 2.920 4.440 4.363 4.342 4.381 . 0 0 "[ . ]" 1
356 2 11 DG H4' 2 11 DG H8 4.020 3.420 5.010 4.421 4.333 4.479 . 0 0 "[ . ]" 1
357 2 11 DG H1' 2 11 DG H2' 2.810 2.430 3.160 2.995 2.988 3.003 . 0 0 "[ . ]" 1
358 2 11 DG H1' 2 11 DG H2'' 2.350 2.030 2.670 2.330 2.323 2.337 . 0 0 "[ . ]" 1
359 2 11 DG H1' 2 11 DG H3' 3.880 3.300 4.460 3.848 3.841 3.856 . 0 0 "[ . ]" 1
360 2 11 DG H1' 2 11 DG H4' 3.080 2.790 3.630 3.515 3.492 3.536 . 0 0 "[ . ]" 1
361 2 11 DG H2' 2 11 DG H3' 2.490 . 2.990 2.529 2.517 2.536 . 0 0 "[ . ]" 1
362 2 11 DG H2'' 2 11 DG H3' 2.840 2.340 3.340 2.648 2.638 2.665 . 0 0 "[ . ]" 1
363 3 1 BPI H2 3 1 BPI H5 4.490 3.970 5.480 4.879 4.828 4.965 . 0 0 "[ . ]" 1
364 3 1 BPI H4 3 1 BPI H5 2.840 2.460 3.220 2.407 2.388 2.433 0.072 3 0 "[ . ]" 1
365 3 1 BPI H6 3 1 BPI H7 2.500 2.150 2.850 2.481 2.462 2.498 . 0 0 "[ . ]" 1
366 3 1 BPI H8 3 1 BPI H9 2.420 2.110 2.730 2.542 2.523 2.563 . 0 0 "[ . ]" 1
367 3 1 BPI H10 3 1 BPI H9 2.710 2.280 3.140 2.509 2.502 2.516 . 0 0 "[ . ]" 1
368 3 1 BPI H11 3 1 BPI H9 4.820 4.070 5.570 4.370 4.351 4.378 . 0 0 "[ . ]" 1
369 3 1 BPI H10 3 1 BPI H11 2.700 2.370 3.030 2.610 2.572 2.634 . 0 0 "[ . ]" 1
370 3 1 BPI H10 3 1 BPI H12 4.780 4.370 5.190 4.237 4.229 4.241 0.141 7 0 "[ . ]" 1
371 3 1 BPI H11 3 1 BPI H12 2.610 2.250 2.970 2.229 2.200 2.265 0.050 1 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 54
_Distance_constraint_stats_list.Viol_count 81
_Distance_constraint_stats_list.Viol_total 58.617
_Distance_constraint_stats_list.Viol_max 0.371
_Distance_constraint_stats_list.Viol_rms 0.0584
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0222
_Distance_constraint_stats_list.Viol_average_violations_only 0.1034
_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 2 DC 0.867 0.179 4 0 "[ . ]"
1 3 DA 0.122 0.098 6 0 "[ . ]"
1 4 DT 0.867 0.137 6 0 "[ . ]"
1 5 DC 0.598 0.130 2 0 "[ . ]"
1 6 DG 4.056 0.371 3 0 "[ . ]"
1 7 DC 0.006 0.006 3 0 "[ . ]"
1 8 DT 1.023 0.123 4 0 "[ . ]"
1 9 DA 0.453 0.096 7 0 "[ . ]"
1 10 DC 0.937 0.155 4 0 "[ . ]"
2 2 DG 0.949 0.155 4 0 "[ . ]"
2 3 DT 0.030 0.018 6 0 "[ . ]"
2 4 DA 0.434 0.139 5 0 "[ . ]"
2 5 DG 3.263 0.371 3 0 "[ . ]"
2 6 DC 0.001 0.001 4 0 "[ . ]"
2 7 DG 0.193 0.137 6 0 "[ . ]"
2 8 DA 0.076 0.029 7 0 "[ . ]"
2 9 DT 0.925 0.179 4 0 "[ . ]"
2 10 DG 0.180 0.098 6 0 "[ . ]"
3 1 BPI 0.721 0.129 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 2 DC H41 2 9 DT H3 5.250 4.460 6.240 4.765 4.635 4.901 . 0 0 "[ . ]" 2
2 1 2 DC H42 2 9 DT H3 4.990 4.240 5.980 6.104 6.052 6.159 0.179 4 0 "[ . ]" 2
3 1 2 DC H41 2 10 DG H1 3.170 2.590 3.650 2.981 2.940 3.021 . 0 0 "[ . ]" 2
4 1 2 DC H42 2 10 DG H1 3.650 3.110 4.500 4.467 4.429 4.501 0.001 1 0 "[ . ]" 2
5 1 2 DC H5 2 10 DG H1 4.550 3.870 5.530 5.359 5.340 5.376 . 0 0 "[ . ]" 2
6 1 3 DA H61 2 9 DT H3 2.680 2.200 3.160 2.486 2.380 2.557 . 0 0 "[ . ]" 2
7 1 3 DA H62 2 9 DT H3 3.880 3.400 4.630 4.012 3.925 4.076 . 0 0 "[ . ]" 2
8 1 3 DA H2 2 9 DT H3 2.740 2.430 3.150 2.901 2.779 3.050 . 0 0 "[ . ]" 2
9 1 3 DA H2 2 10 DG H1 3.950 3.500 4.500 4.412 4.254 4.598 0.098 6 0 "[ . ]" 2
10 1 3 DA H62 2 10 DG H1 4.790 4.070 5.640 4.506 4.234 4.862 . 0 0 "[ . ]" 2
11 1 4 DT H3 1 5 DC H41 4.820 3.830 5.810 3.746 3.700 3.837 0.130 2 0 "[ . ]" 2
12 1 4 DT H3 1 5 DC H42 4.840 3.850 5.830 4.174 3.960 4.584 . 0 0 "[ . ]" 2
13 1 4 DT H3 2 7 DG H1 4.570 3.720 5.320 3.830 3.583 4.101 0.137 6 0 "[ . ]" 2
14 1 4 DT H3 2 8 DA H2 2.920 2.580 3.360 2.855 2.787 2.908 . 0 0 "[ . ]" 2
15 1 4 DT H3 2 8 DA H62 3.520 2.990 4.050 4.032 3.987 4.079 0.029 7 0 "[ . ]" 2
16 1 5 DC H5 2 7 DG H1 4.830 4.110 5.820 5.368 5.342 5.403 . 0 0 "[ . ]" 2
17 1 5 DC H41 2 7 DG H1 3.250 2.760 3.740 3.084 3.013 3.179 . 0 0 "[ . ]" 2
18 1 5 DC H42 2 7 DG H1 3.960 3.420 4.910 4.563 4.493 4.641 . 0 0 "[ . ]" 2
19 1 6 DG H1 1 6 DG H21 3.000 2.400 3.600 2.251 2.225 2.270 0.175 4 0 "[ . ]" 2
20 1 6 DG H1 2 5 DG H1 4.210 3.360 4.960 3.034 2.989 3.133 0.371 3 0 "[ . ]" 2
21 1 6 DG H21 2 5 DG H1 4.170 3.550 5.020 3.583 3.545 3.618 0.005 3 0 "[ . ]" 2
22 1 6 DG H1 2 6 DC H41 3.250 2.500 3.750 2.583 2.499 2.669 0.001 4 0 "[ . ]" 2
23 1 6 DG H1 2 6 DC H42 3.810 3.250 4.370 4.084 4.002 4.171 . 0 0 "[ . ]" 2
24 1 6 DG H1 2 6 DC H5 5.500 4.680 6.320 5.053 5.007 5.118 . 0 0 "[ . ]" 2
25 1 7 DC H41 1 8 DT H3 4.800 4.050 5.790 4.576 4.372 4.844 . 0 0 "[ . ]" 2
26 1 7 DC H42 1 8 DT H3 5.230 4.530 6.220 5.880 5.641 6.205 . 0 0 "[ . ]" 2
27 1 7 DC H41 2 5 DG H1 3.120 2.620 3.620 2.985 2.870 3.069 . 0 0 "[ . ]" 2
28 1 7 DC H42 2 5 DG H1 3.600 3.080 4.550 4.478 4.366 4.556 0.006 3 0 "[ . ]" 2
29 1 7 DC H5 2 5 DG H1 4.690 4.030 5.680 5.336 5.280 5.366 . 0 0 "[ . ]" 2
30 1 8 DT H3 1 9 DA H2 4.320 3.820 4.920 4.975 4.852 5.016 0.096 7 0 "[ . ]" 2
31 1 8 DT H3 2 3 DT H3 4.120 3.570 4.770 4.546 4.277 4.788 0.018 6 0 "[ . ]" 2
32 1 8 DT H3 2 4 DA H61 3.100 2.510 3.590 2.622 2.554 2.693 . 0 0 "[ . ]" 2
33 1 8 DT H3 2 4 DA H62 3.650 3.150 4.250 4.120 4.064 4.185 . 0 0 "[ . ]" 2
34 1 8 DT H3 2 4 DA H2 3.080 2.630 3.630 2.792 2.622 2.892 0.008 1 0 "[ . ]" 2
35 1 8 DT H3 2 5 DG H1 4.100 3.450 4.850 3.372 3.327 3.417 0.123 4 0 "[ . ]" 2
36 1 9 DA H2 2 2 DG H1 4.000 3.360 4.740 3.730 3.573 3.804 . 0 0 "[ . ]" 2
37 1 9 DA H2 2 3 DT H3 2.960 2.620 3.400 3.008 2.896 3.283 . 0 0 "[ . ]" 2
38 1 10 DC H1' 2 2 DG H1 4.760 4.050 5.470 4.503 4.453 4.606 . 0 0 "[ . ]" 2
39 1 10 DC H5 2 2 DG H1 4.590 3.930 5.580 5.337 5.313 5.387 . 0 0 "[ . ]" 2
40 1 10 DC H41 2 2 DG H1 2.860 2.360 3.510 2.994 2.922 3.025 . 0 0 "[ . ]" 2
41 1 10 DC H42 2 2 DG H1 3.590 3.050 4.340 4.474 4.435 4.495 0.155 4 0 "[ . ]" 2
42 1 10 DC H41 2 3 DT H3 4.680 3.980 5.430 5.114 4.899 5.352 . 0 0 "[ . ]" 2
43 2 2 DG H1 2 3 DT H3 4.020 3.370 4.670 3.401 3.358 3.431 0.012 3 0 "[ . ]" 2
44 2 3 DT H3 2 4 DA H2 3.780 3.210 4.530 4.213 3.851 4.317 . 0 0 "[ . ]" 2
45 2 4 DA H2 2 5 DG H1 4.380 3.720 5.240 5.289 5.199 5.379 0.139 5 0 "[ . ]" 2
46 2 4 DA H62 2 5 DG H1 4.210 3.580 5.140 4.922 4.786 5.184 0.044 1 0 "[ . ]" 2
47 2 5 DG H1 2 6 DC H42 4.990 4.290 6.280 5.521 5.266 6.007 . 0 0 "[ . ]" 2
48 2 9 DT H3 2 10 DG H1 4.470 3.720 5.120 4.868 4.542 5.154 0.034 4 0 "[ . ]" 2
49 1 6 DG H1 3 1 BPI H2 5.500 4.680 6.490 4.721 4.665 4.860 0.015 2 0 "[ . ]" 2
50 1 6 DG H21 3 1 BPI H12 3.170 2.590 3.820 3.920 3.902 3.949 0.129 6 0 "[ . ]" 2
51 2 5 DG H1 3 1 BPI H2 4.760 4.050 5.510 4.841 4.639 4.941 . 0 0 "[ . ]" 2
52 2 7 DG H1 3 1 BPI H9 4.660 3.910 5.410 4.824 4.574 5.112 . 0 0 "[ . ]" 2
53 2 7 DG H1 3 1 BPI H10 5.500 4.510 6.250 4.721 4.511 4.982 . 0 0 "[ . ]" 2
54 2 7 DG H1 3 1 BPI H12 4.280 3.530 5.030 4.030 3.909 4.142 . 0 0 "[ . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 29
_Distance_constraint_stats_list.Viol_count 79
_Distance_constraint_stats_list.Viol_total 15.885
_Distance_constraint_stats_list.Viol_max 0.095
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.0287
_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 0.199 0.033 7 0 "[ . ]"
1 2 DC 0.059 0.012 2 0 "[ . ]"
1 3 DA 0.287 0.074 2 0 "[ . ]"
1 4 DT 0.347 0.080 1 0 "[ . ]"
1 5 DC 0.000 0.000 . 0 "[ . ]"
1 6 DG 0.312 0.073 2 0 "[ . ]"
1 7 DC 0.049 0.012 6 0 "[ . ]"
1 8 DT 0.361 0.095 1 0 "[ . ]"
1 9 DA 0.217 0.042 5 0 "[ . ]"
1 10 DC 0.250 0.050 6 0 "[ . ]"
1 11 DC 0.189 0.037 2 0 "[ . ]"
2 1 DG 0.189 0.037 2 0 "[ . ]"
2 2 DG 0.250 0.050 6 0 "[ . ]"
2 3 DT 0.217 0.042 5 0 "[ . ]"
2 4 DA 0.361 0.095 1 0 "[ . ]"
2 5 DG 0.049 0.012 6 0 "[ . ]"
2 6 DC 0.312 0.073 2 0 "[ . ]"
2 7 DG 0.000 0.000 . 0 "[ . ]"
2 8 DA 0.347 0.080 1 0 "[ . ]"
2 9 DT 0.287 0.074 2 0 "[ . ]"
2 10 DG 0.059 0.012 2 0 "[ . ]"
2 11 DG 0.199 0.033 7 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 H41 2 11 DG O6 1.900 . 2.000 1.844 1.817 1.929 . 0 0 "[ . ]" 3
2 1 1 DC N3 2 11 DG H1 2.000 . 2.100 1.899 1.885 1.925 0.015 5 0 "[ . ]" 3
3 1 1 DC O2 2 11 DG H21 2.000 . 2.100 1.877 1.867 1.891 0.033 7 0 "[ . ]" 3
4 1 2 DC H41 2 10 DG O6 1.900 . 2.000 1.794 1.788 1.806 0.012 2 0 "[ . ]" 3
5 1 2 DC N3 2 10 DG H1 2.000 . 2.100 1.941 1.928 1.957 . 0 0 "[ . ]" 3
6 1 2 DC O2 2 10 DG H21 2.000 . 2.100 1.933 1.890 1.960 0.010 1 0 "[ . ]" 3
7 1 5 DC H41 2 7 DG O6 1.900 . 2.000 1.834 1.815 1.848 . 0 0 "[ . ]" 3
8 1 5 DC N3 2 7 DG H1 2.000 . 2.100 2.007 1.982 2.024 . 0 0 "[ . ]" 3
9 1 5 DC O2 2 7 DG H21 2.000 . 2.100 1.955 1.901 1.995 . 0 0 "[ . ]" 3
10 1 7 DC H41 2 5 DG O6 1.900 . 2.000 1.793 1.788 1.797 0.012 6 0 "[ . ]" 3
11 1 7 DC N3 2 5 DG H1 2.000 . 2.100 1.990 1.967 2.004 . 0 0 "[ . ]" 3
12 1 7 DC O2 2 5 DG H21 2.000 . 2.100 1.974 1.949 2.002 . 0 0 "[ . ]" 3
13 1 10 DC H41 2 2 DG O6 1.900 . 2.000 1.871 1.848 1.900 . 0 0 "[ . ]" 3
14 1 10 DC N3 2 2 DG H1 2.000 . 2.100 1.944 1.920 2.019 . 0 0 "[ . ]" 3
15 1 10 DC O2 2 2 DG H21 2.000 . 2.100 1.864 1.850 1.885 0.050 6 0 "[ . ]" 3
16 1 11 DC H41 2 1 DG O6 1.900 . 2.000 1.854 1.810 1.886 . 0 0 "[ . ]" 3
17 1 11 DC N3 2 1 DG H1 2.000 . 2.100 1.914 1.902 1.926 . 0 0 "[ . ]" 3
18 1 11 DC O2 2 1 DG H21 2.000 . 2.100 1.873 1.863 1.893 0.037 2 0 "[ . ]" 3
19 1 6 DG O6 2 6 DC H41 1.900 . 2.000 1.876 1.803 1.920 . 0 0 "[ . ]" 3
20 1 6 DG H1 2 6 DC N3 2.000 . 2.100 1.917 1.905 1.924 . 0 0 "[ . ]" 3
21 1 6 DG H21 2 6 DC O2 2.000 . 2.200 1.855 1.827 1.898 0.073 2 0 "[ . ]" 3
22 1 3 DA N1 2 9 DT H3 2.100 . 2.300 1.977 1.926 2.025 0.074 2 0 "[ . ]" 3
23 1 3 DA H61 2 9 DT O4 2.000 . 2.200 1.985 1.879 2.154 0.021 3 0 "[ . ]" 3
24 1 9 DA N1 2 3 DT H3 2.100 . 2.300 1.982 1.958 2.009 0.042 5 0 "[ . ]" 3
25 1 9 DA H61 2 3 DT O4 2.000 . 2.200 1.892 1.877 1.915 0.023 4 0 "[ . ]" 3
26 1 4 DT H3 2 8 DA N1 2.100 . 2.300 1.950 1.920 1.967 0.080 1 0 "[ . ]" 3
27 1 4 DT O4 2 8 DA H61 2.000 . 2.200 1.984 1.908 2.135 . 0 0 "[ . ]" 3
28 1 8 DT H3 2 4 DA N1 2.100 . 2.300 1.948 1.905 1.976 0.095 1 0 "[ . ]" 3
29 1 8 DT O4 2 4 DA H61 2.000 . 2.200 1.984 1.919 2.065 . 0 0 "[ . ]" 3
stop_
save_
Contact the webmaster for help, if required. Saturday, June 22, 2024 10:33:00 AM GMT (wattos1)