NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387734 |
1mp7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mp7
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 188
_Distance_constraint_stats_list.Viol_count 411
_Distance_constraint_stats_list.Viol_total 301.325
_Distance_constraint_stats_list.Viol_max 0.473
_Distance_constraint_stats_list.Viol_rms 0.0503
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0198
_Distance_constraint_stats_list.Viol_average_violations_only 0.0815
_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 1.522 0.147 3 0 "[ . ]"
1 2 DC 1.814 0.147 3 0 "[ . ]"
1 3 DC 3.315 0.190 4 0 "[ . ]"
1 4 DA 7.850 0.283 1 0 "[ . ]"
1 5 DG 8.230 0.283 1 0 "[ . ]"
1 6 DA 5.999 0.320 6 0 "[ . ]"
1 7 DG 3.907 0.244 6 0 "[ . ]"
1 8 DA 2.517 0.155 4 0 "[ . ]"
1 9 DG 3.832 0.140 9 0 "[ . ]"
1 10 DC 3.637 0.193 8 0 "[ . ]"
2 1 NCG 9.781 0.473 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 DG H4' 1 1 DG H8 4.800 4.500 5.300 4.812 4.743 4.919 . 0 0 "[ . ]" 1
2 1 1 DG H3' 1 1 DG H8 4.000 3.500 4.500 3.843 3.626 4.020 . 0 0 "[ . ]" 1
3 1 1 DG H2'' 1 1 DG H8 3.570 3.070 4.070 4.054 3.863 4.129 0.059 3 0 "[ . ]" 1
4 1 1 DG H2' 1 1 DG H8 2.100 . 2.600 2.516 2.261 2.626 0.026 5 0 "[ . ]" 1
5 1 1 DG H1' 1 1 DG H8 3.900 3.300 4.400 3.911 3.900 3.919 . 0 0 "[ . ]" 1
6 1 2 DC H1' 1 2 DC H6 3.500 3.200 4.200 3.722 3.713 3.728 . 0 0 "[ . ]" 1
7 1 2 DC H2'' 1 2 DC H6 3.300 2.800 3.800 3.818 3.717 3.903 0.103 9 0 "[ . ]" 1
8 1 2 DC H2' 1 2 DC H6 2.000 . 3.400 2.359 2.197 2.509 . 0 0 "[ . ]" 1
9 1 2 DC H3' 1 2 DC H6 3.300 2.300 3.800 2.641 2.594 2.700 . 0 0 "[ . ]" 1
10 1 2 DC H4' 1 2 DC H6 4.500 3.000 6.000 4.219 4.162 4.279 . 0 0 "[ . ]" 1
11 1 2 DC H4' 1 2 DC H5 5.000 4.800 10.000 6.559 6.516 6.610 . 0 0 "[ . ]" 1
12 1 2 DC H3' 1 2 DC H5 5.000 4.800 10.000 5.003 4.944 5.075 . 0 0 "[ . ]" 1
13 1 2 DC H2' 1 2 DC H5 4.000 3.500 5.500 4.295 4.204 4.373 . 0 0 "[ . ]" 1
14 1 2 DC H2'' 1 2 DC H5 5.000 4.800 10.000 5.895 5.828 5.954 . 0 0 "[ . ]" 1
15 1 2 DC H1' 1 2 DC H5 5.000 4.800 10.000 5.435 5.428 5.437 . 0 0 "[ . ]" 1
16 1 3 DC H1' 1 3 DC H6 3.030 . 4.830 3.717 3.706 3.731 . 0 0 "[ . ]" 1
17 1 3 DC H2'' 1 3 DC H6 2.360 . 3.760 3.544 3.460 3.650 . 0 0 "[ . ]" 1
18 1 3 DC H2' 1 3 DC H6 2.900 . 4.300 1.943 1.859 2.075 . 0 0 "[ . ]" 1
19 1 3 DC H3' 1 3 DC H6 3.040 . 4.440 3.554 3.474 3.618 . 0 0 "[ . ]" 1
20 1 3 DC H4' 1 3 DC H6 5.010 . 5.500 4.622 4.523 4.693 . 0 0 "[ . ]" 1
21 1 3 DC H4' 1 3 DC H5 5.000 4.500 10.000 6.892 6.789 6.950 . 0 0 "[ . ]" 1
22 1 3 DC H3' 1 3 DC H5 5.000 4.500 10.000 5.980 5.904 6.040 . 0 0 "[ . ]" 1
23 1 3 DC H2'' 1 3 DC H5 4.000 3.500 5.400 5.549 5.481 5.590 0.190 4 0 "[ . ]" 1
24 1 3 DC H2' 1 3 DC H5 3.650 . 5.500 4.141 4.109 4.203 . 0 0 "[ . ]" 1
25 1 3 DC H1' 1 3 DC H5 5.000 4.500 10.000 5.417 5.403 5.433 . 0 0 "[ . ]" 1
26 1 4 DA H1' 1 4 DA H8 3.730 2.330 5.130 3.880 3.865 3.895 . 0 0 "[ . ]" 1
27 1 4 DA H2'' 1 4 DA H8 2.360 . 3.760 3.716 3.591 3.819 0.059 3 0 "[ . ]" 1
28 1 4 DA H2' 1 4 DA H8 2.800 . 4.840 2.141 2.067 2.250 . 0 0 "[ . ]" 1
29 1 4 DA H3' 1 4 DA H8 3.170 . 4.870 3.905 3.776 4.036 . 0 0 "[ . ]" 1
30 1 4 DA H4' 1 4 DA H8 3.420 . 5.500 4.891 4.781 5.032 . 0 0 "[ . ]" 1
31 1 5 DG H1' 1 5 DG H8 3.260 . 4.660 3.867 3.844 3.884 . 0 0 "[ . ]" 1
32 1 5 DG H2'' 1 5 DG H8 3.400 2.600 4.800 4.447 4.378 4.522 . 0 0 "[ . ]" 1
33 1 5 DG H2' 1 5 DG H8 2.500 2.200 3.100 3.088 2.980 3.209 0.109 5 0 "[ . ]" 1
34 1 5 DG H3' 1 5 DG H8 3.800 3.200 4.880 4.096 3.928 4.269 . 0 0 "[ . ]" 1
35 1 5 DG H4' 1 5 DG H8 4.800 4.500 5.300 4.527 4.459 4.587 0.041 1 0 "[ . ]" 1
36 1 6 DA H1' 1 6 DA H8 3.790 . 5.290 3.879 3.862 3.888 . 0 0 "[ . ]" 1
37 1 6 DA H2'' 1 6 DA H8 4.500 4.000 6.000 3.892 3.828 3.934 0.172 6 0 "[ . ]" 1
38 1 6 DA H2' 1 6 DA H8 4.000 2.500 5.500 2.276 2.180 2.339 0.320 6 0 "[ . ]" 1
39 1 6 DA H3' 1 6 DA H8 4.200 2.900 5.700 2.980 2.847 3.164 0.053 5 0 "[ . ]" 1
40 1 6 DA H4' 1 6 DA H8 5.000 3.500 6.500 4.784 4.723 4.872 . 0 0 "[ . ]" 1
41 1 7 DG H1' 1 7 DG H8 5.240 3.840 5.500 3.810 3.803 3.832 0.037 9 0 "[ . ]" 1
42 1 7 DG H2' 1 7 DG H8 3.320 . 4.720 1.936 1.897 2.002 0.023 9 0 "[ . ]" 1
43 1 7 DG H2'' 1 7 DG H8 3.070 . 4.470 3.607 3.546 3.676 . 0 0 "[ . ]" 1
44 1 7 DG H3' 1 7 DG H8 2.270 . 3.670 3.299 3.152 3.404 . 0 0 "[ . ]" 1
45 1 7 DG H4' 1 7 DG H8 3.520 2.120 4.920 5.073 5.009 5.135 0.215 9 0 "[ . ]" 1
46 1 8 DA H1' 1 8 DA H8 3.490 2.090 4.940 3.859 3.840 3.873 . 0 0 "[ . ]" 1
47 1 8 DA H2' 1 8 DA H8 2.670 . 4.070 2.059 1.984 2.138 . 0 0 "[ . ]" 1
48 1 8 DA H2'' 1 8 DA H8 3.730 2.930 5.130 3.707 3.636 3.787 . 0 0 "[ . ]" 1
49 1 8 DA H3' 1 8 DA H8 3.920 3.520 5.320 3.445 3.365 3.518 0.155 4 0 "[ . ]" 1
50 1 8 DA H4' 1 8 DA H8 3.900 3.500 5.300 4.959 4.881 5.027 . 0 0 "[ . ]" 1
51 1 8 DA H1' 1 8 DA H2 4.570 4.270 5.070 4.559 4.533 4.592 . 0 0 "[ . ]" 1
52 1 9 DG H1' 1 9 DG H8 3.280 2.880 4.680 3.854 3.844 3.864 . 0 0 "[ . ]" 1
53 1 9 DG H2' 1 9 DG H8 3.650 2.850 5.450 3.219 3.152 3.258 . 0 0 "[ . ]" 1
54 1 9 DG H2'' 1 9 DG H8 3.730 3.330 5.130 4.527 4.486 4.553 . 0 0 "[ . ]" 1
55 1 9 DG H3' 1 9 DG H8 2.760 2.200 4.160 4.007 3.883 4.140 . 0 0 "[ . ]" 1
56 1 9 DG H4' 1 9 DG H8 4.780 4.280 6.280 4.571 4.517 4.612 . 0 0 "[ . ]" 1
57 1 10 DC H1' 1 10 DC H6 3.540 3.000 5.880 3.732 3.719 3.739 . 0 0 "[ . ]" 1
58 1 10 DC H2' 1 10 DC H6 2.260 . 4.260 2.456 2.302 2.592 . 0 0 "[ . ]" 1
59 1 10 DC H2'' 1 10 DC H6 2.970 2.670 4.370 3.858 3.749 3.943 . 0 0 "[ . ]" 1
60 1 10 DC H3' 1 10 DC H6 2.670 . 4.800 2.482 2.350 2.746 . 0 0 "[ . ]" 1
61 1 10 DC H4' 1 10 DC H6 4.480 2.980 5.980 4.188 4.135 4.270 . 0 0 "[ . ]" 1
62 1 10 DC H4' 1 10 DC H5 5.000 4.500 10.000 6.530 6.475 6.636 . 0 0 "[ . ]" 1
63 1 10 DC H3' 1 10 DC H5 5.000 4.500 10.000 4.838 4.726 5.099 . 0 0 "[ . ]" 1
64 1 10 DC H2' 1 10 DC H5 5.000 4.500 10.000 4.370 4.307 4.415 0.193 8 0 "[ . ]" 1
65 1 10 DC H2'' 1 10 DC H5 5.000 4.500 10.000 5.954 5.912 5.987 . 0 0 "[ . ]" 1
66 1 10 DC H1' 1 10 DC H5 5.000 4.500 10.000 5.436 5.430 5.439 . 0 0 "[ . ]" 1
67 1 1 DG H1' 1 2 DC H6 3.070 2.570 4.470 4.101 3.750 4.365 . 0 0 "[ . ]" 1
68 1 1 DG H2' 1 2 DC H6 4.500 4.000 5.900 3.897 3.853 3.961 0.147 3 0 "[ . ]" 1
69 1 1 DG H2'' 1 2 DC H6 2.950 2.450 3.950 2.476 2.419 2.588 0.031 2 0 "[ . ]" 1
70 1 1 DG H3' 1 2 DC H6 4.790 4.390 5.490 4.927 4.861 5.069 . 0 0 "[ . ]" 1
71 1 1 DG H1' 1 2 DC H5 4.000 3.500 5.870 4.681 4.525 4.882 . 0 0 "[ . ]" 1
72 1 1 DG H2' 1 2 DC H5 3.000 2.700 4.400 2.971 2.848 3.238 . 0 0 "[ . ]" 1
73 1 1 DG H2'' 1 2 DC H5 2.580 2.280 3.980 2.818 2.640 3.047 . 0 0 "[ . ]" 1
74 1 1 DG H3' 1 2 DC H5 4.700 4.400 5.700 4.554 4.341 4.926 0.059 6 0 "[ . ]" 1
75 1 2 DC H1' 1 3 DC H6 6.000 5.300 7.500 5.986 5.704 6.249 . 0 0 "[ . ]" 1
76 1 2 DC H2' 1 3 DC H6 3.600 3.100 4.900 3.800 3.394 4.028 . 0 0 "[ . ]" 1
77 1 2 DC H2'' 1 3 DC H6 3.730 2.330 5.130 3.877 3.690 4.129 . 0 0 "[ . ]" 1
78 1 2 DC H3' 1 3 DC H6 4.900 4.400 5.900 4.587 4.387 4.819 0.013 6 0 "[ . ]" 1
79 1 2 DC H1' 1 3 DC H5 6.000 5.500 7.500 6.766 6.454 7.044 . 0 0 "[ . ]" 1
80 1 2 DC H2' 1 3 DC H5 4.000 3.500 5.000 4.036 3.705 4.308 . 0 0 "[ . ]" 1
81 1 2 DC H2'' 1 3 DC H5 4.040 3.540 5.540 5.060 4.718 5.304 . 0 0 "[ . ]" 1
82 1 2 DC H3' 1 3 DC H5 4.200 3.900 5.200 4.796 4.428 5.055 . 0 0 "[ . ]" 1
83 1 3 DC H1' 1 4 DA H8 4.380 3.980 5.480 5.011 4.885 5.212 . 0 0 "[ . ]" 1
84 1 3 DC H2' 1 4 DA H8 3.000 2.700 3.500 3.476 3.130 3.585 0.085 1 0 "[ . ]" 1
85 1 3 DC H2'' 1 4 DA H8 2.820 2.520 3.320 2.792 2.680 2.938 . 0 0 "[ . ]" 1
86 1 3 DC H3' 1 4 DA H8 4.500 4.000 6.500 4.094 3.943 4.367 0.057 6 0 "[ . ]" 1
87 1 4 DA H2 1 5 DG H1' 3.500 3.000 4.700 4.303 3.987 4.791 0.091 5 0 "[ . ]" 1
88 1 4 DA H1' 1 5 DG H8 3.300 3.000 3.800 3.161 3.099 3.304 . 0 0 "[ . ]" 1
89 1 4 DA H2' 1 5 DG H8 3.500 3.200 4.300 3.739 3.695 3.836 . 0 0 "[ . ]" 1
90 1 4 DA H2'' 1 5 DG H8 2.500 2.200 3.000 1.980 1.939 2.074 0.261 3 0 "[ . ]" 1
91 1 4 DA H3' 1 5 DG H8 3.740 3.240 4.240 4.361 4.344 4.385 0.145 9 0 "[ . ]" 1
92 1 4 DA H4' 1 5 DG H8 4.500 4.000 5.000 5.171 5.102 5.283 0.283 1 0 "[ . ]" 1
93 1 5 DG H2' 1 6 DA H8 4.800 4.300 5.800 5.806 5.737 5.846 0.046 8 0 "[ . ]" 1
94 1 5 DG H2'' 1 6 DA H8 4.800 4.300 5.800 4.221 4.178 4.255 0.122 7 0 "[ . ]" 1
95 1 5 DG H3' 1 6 DA H8 4.400 3.900 5.400 5.354 5.220 5.428 0.028 6 0 "[ . ]" 1
96 1 6 DA H1' 1 7 DG H8 4.000 3.500 5.400 5.407 5.250 5.505 0.105 6 0 "[ . ]" 1
97 1 6 DA H2' 1 7 DG H8 5.000 4.500 7.000 4.347 4.256 4.400 0.244 6 0 "[ . ]" 1
98 1 6 DA H2'' 1 7 DG H8 4.000 3.500 6.000 3.938 3.757 4.171 . 0 0 "[ . ]" 1
99 1 7 DG H1' 1 8 DA H8 5.500 5.300 6.900 6.621 6.470 6.768 . 0 0 "[ . ]" 1
100 1 7 DG H2' 1 8 DA H8 5.000 4.500 8.000 4.468 4.455 4.477 0.045 5 0 "[ . ]" 1
101 1 7 DG H2'' 1 8 DA H8 4.000 3.500 5.000 4.452 4.293 4.664 . 0 0 "[ . ]" 1
102 1 7 DG H3' 1 8 DA H8 4.500 4.200 5.500 5.143 4.969 5.424 . 0 0 "[ . ]" 1
103 1 8 DA H1' 1 9 DG H8 3.440 2.040 4.840 2.298 2.111 2.506 . 0 0 "[ . ]" 1
104 1 8 DA H2' 1 9 DG H8 5.000 4.500 6.000 4.837 4.767 4.962 . 0 0 "[ . ]" 1
105 1 8 DA H2'' 1 9 DG H8 4.500 4.000 5.600 3.920 3.860 4.013 0.140 9 0 "[ . ]" 1
106 1 8 DA H3' 1 9 DG H8 4.000 3.500 5.000 5.004 4.927 5.044 0.044 5 0 "[ . ]" 1
107 1 8 DA H4' 1 9 DG H8 3.500 3.000 5.000 2.966 2.906 3.028 0.094 5 0 "[ . ]" 1
108 1 9 DG H1' 1 10 DC H6 3.600 . 5.650 5.022 4.766 5.203 . 0 0 "[ . ]" 1
109 1 9 DG H2' 1 10 DC H6 3.500 2.500 4.500 3.672 3.404 3.909 . 0 0 "[ . ]" 1
110 1 9 DG H2'' 1 10 DC H6 3.060 2.660 4.060 2.878 2.626 3.063 0.034 2 0 "[ . ]" 1
111 1 9 DG H3' 1 10 DC H6 4.000 3.500 5.000 4.497 4.265 4.719 . 0 0 "[ . ]" 1
112 1 9 DG H1' 1 10 DC H5 5.000 4.500 6.500 5.352 5.280 5.413 . 0 0 "[ . ]" 1
113 1 9 DG H2' 1 10 DC H5 3.400 2.900 4.400 2.802 2.768 2.830 0.132 5 0 "[ . ]" 1
114 1 9 DG H2'' 1 10 DC H5 3.900 3.400 4.900 3.380 3.298 3.450 0.102 8 0 "[ . ]" 1
115 1 9 DG H3' 1 10 DC H5 3.110 . 4.510 3.850 3.662 4.021 . 0 0 "[ . ]" 1
116 1 1 DG H1' 1 2 DC H3' 4.500 3.600 5.900 5.614 5.323 5.789 . 0 0 "[ . ]" 1
117 1 3 DC H1' 1 4 DA H5'' 4.000 3.500 5.400 4.016 3.761 4.255 . 0 0 "[ . ]" 1
118 1 3 DC H4' 1 4 DA H5'' 4.000 2.940 5.400 5.243 5.035 5.404 0.004 6 0 "[ . ]" 1
119 1 3 DC H2'' 1 4 DA H4' 3.990 3.390 4.990 3.573 3.512 3.642 . 0 0 "[ . ]" 1
120 1 3 DC H1' 1 4 DA H4' 2.930 2.330 3.930 3.342 3.108 3.672 . 0 0 "[ . ]" 1
121 1 4 DA H1' 1 5 DG H1' 4.000 3.500 4.800 3.427 3.305 3.601 0.195 4 0 "[ . ]" 1
122 1 8 DA H4' 1 9 DG H4' 4.000 3.400 5.300 3.954 3.848 4.105 . 0 0 "[ . ]" 1
123 1 3 DC H6 1 4 DA H8 4.810 4.410 5.610 5.249 4.978 5.458 . 0 0 "[ . ]" 1
124 1 8 DA H2 1 9 DG H8 4.500 4.000 6.000 5.201 4.926 5.515 . 0 0 "[ . ]" 1
125 1 3 DC H5 1 4 DA H2 4.500 4.000 5.900 4.152 3.923 5.289 0.077 6 0 "[ . ]" 1
126 1 1 DG H8 1 2 DC H5 4.500 4.000 5.000 4.928 4.797 5.067 0.067 3 0 "[ . ]" 1
127 1 4 DA H8 1 5 DG H8 4.400 4.100 5.400 5.570 5.494 5.629 0.229 2 0 "[ . ]" 1
128 1 9 DG H8 1 10 DC H5 4.600 4.200 5.600 5.647 5.486 5.700 0.100 7 0 "[ . ]" 1
129 2 1 NCG H10 2 1 NCG H5' 3.900 3.700 4.100 3.877 3.839 3.947 . 0 0 "[ . ]" 1
130 2 1 NCG H1' 2 1 NCG H8 3.200 3.000 3.400 3.215 3.074 3.303 . 0 0 "[ . ]" 1
131 2 1 NCG H2' 2 1 NCG H8 4.930 4.730 5.230 5.025 4.936 5.080 . 0 0 "[ . ]" 1
132 2 1 NCG H10 2 1 NCG H2' 4.460 4.260 4.660 4.480 4.453 4.504 . 0 0 "[ . ]" 1
133 2 1 NCG H10 2 1 NCG H3' 4.600 4.400 4.800 4.689 4.666 4.710 . 0 0 "[ . ]" 1
134 2 1 NCG H5' 2 1 NCG H8 3.700 3.500 3.900 3.587 3.495 3.763 0.005 6 0 "[ . ]" 1
135 2 1 NCG H13 2 1 NCG H2 4.200 4.000 4.400 4.159 4.154 4.165 . 0 0 "[ . ]" 1
136 2 1 NCG H13 2 1 NCG H5 2.700 2.500 2.900 2.685 2.677 2.694 . 0 0 "[ . ]" 1
137 2 1 NCG H14B 2 1 NCG H2 2.350 2.150 2.550 2.090 2.074 2.110 0.076 8 0 "[ . ]" 1
138 2 1 NCG H14A 2 1 NCG H2 3.750 3.550 3.950 3.659 3.640 3.679 . 0 0 "[ . ]" 1
139 2 1 NCG H2 2 1 NCG HB2 2.890 2.690 3.390 2.630 2.598 2.664 0.092 5 0 "[ . ]" 1
140 2 1 NCG H2 2 1 NCG HB1 3.500 3.200 4.000 2.849 2.727 2.887 0.473 1 0 "[ . ]" 1
141 2 1 NCG H12 2 1 NCG HB2 3.690 3.390 3.990 3.325 3.294 3.379 0.096 5 0 "[ . ]" 1
142 2 1 NCG H12 2 1 NCG HB1 2.800 2.500 3.100 2.518 2.503 2.548 . 0 0 "[ . ]" 1
143 2 1 NCG H11 2 1 NCG HB2 4.800 4.600 5.000 4.879 4.874 4.888 . 0 0 "[ . ]" 1
144 2 1 NCG H11 2 1 NCG HB1 4.430 4.230 4.630 4.530 4.518 4.547 . 0 0 "[ . ]" 1
145 2 1 NCG H4' 2 1 NCG HA 4.100 3.800 4.400 4.087 3.931 4.300 . 0 0 "[ . ]" 1
146 2 1 NCG H15 2 1 NCG H3' 3.700 3.500 4.000 4.013 3.782 4.093 0.093 6 0 "[ . ]" 1
147 2 1 NCG H1 2 1 NCG H2 4.700 4.400 5.000 4.431 4.376 4.484 0.024 3 0 "[ . ]" 1
148 2 1 NCG H2 2 1 NCG H7 4.600 4.300 4.900 4.930 4.896 4.995 0.095 7 0 "[ . ]" 1
149 2 1 NCG H13 2 1 NCG H7 4.700 4.200 5.200 4.745 4.647 4.829 . 0 0 "[ . ]" 1
150 2 1 NCG H1 2 1 NCG H14B 4.400 3.900 4.900 3.936 3.903 3.985 . 0 0 "[ . ]" 1
151 2 1 NCG H14B 2 1 NCG H7 3.900 3.600 4.400 4.125 4.065 4.183 . 0 0 "[ . ]" 1
152 2 1 NCG H16 2 1 NCG H18 3.000 2.800 3.200 3.049 3.041 3.054 . 0 0 "[ . ]" 1
153 2 1 NCG H15 2 1 NCG H18 2.900 2.700 3.100 2.860 2.803 2.929 . 0 0 "[ . ]" 1
154 2 1 NCG H14 2 1 NCG H18 2.480 2.280 2.680 2.456 2.406 2.509 . 0 0 "[ . ]" 1
155 2 1 NCG H14 2 1 NCG H16 3.040 2.840 3.240 3.058 3.055 3.060 . 0 0 "[ . ]" 1
156 2 1 NCG H15 2 1 NCG H16 2.500 2.300 2.700 2.522 2.506 2.554 . 0 0 "[ . ]" 1
157 2 1 NCG HA 2 1 NCG HB1 3.040 2.840 3.240 3.043 3.040 3.045 . 0 0 "[ . ]" 1
158 2 1 NCG HA 2 1 NCG HB2 2.500 2.300 2.700 2.473 2.455 2.484 . 0 0 "[ . ]" 1
159 1 10 DC H5' 2 1 NCG H1 3.320 2.920 3.720 3.759 3.737 3.798 0.078 7 0 "[ . ]" 1
160 1 10 DC H5'' 2 1 NCG H1 4.600 4.200 5.100 4.284 4.163 4.506 0.037 3 0 "[ . ]" 1
161 1 10 DC H5' 2 1 NCG H7 4.500 4.100 5.400 5.429 5.398 5.474 0.074 1 0 "[ . ]" 1
162 1 9 DG H1' 2 1 NCG H12 3.510 3.310 3.810 3.869 3.806 3.913 0.103 7 0 "[ . ]" 1
163 1 8 DA H5' 2 1 NCG H18 4.680 4.380 5.180 5.143 4.933 5.249 0.069 6 0 "[ . ]" 1
164 1 7 DG H1' 2 1 NCG H18 4.500 4.300 4.700 4.291 4.236 4.449 0.064 6 0 "[ . ]" 1
165 1 6 DA H2 2 1 NCG H15 4.800 4.600 5.400 5.362 5.098 5.493 0.093 7 0 "[ . ]" 1
166 1 4 DA H4' 2 1 NCG H2' 2.500 2.100 2.800 2.610 2.502 2.801 0.001 6 0 "[ . ]" 1
167 1 4 DA H5' 2 1 NCG H2' 2.500 2.300 2.800 2.300 2.243 2.413 0.057 1 0 "[ . ]" 1
168 1 4 DA H5'' 2 1 NCG H2' 2.500 2.300 3.000 2.502 2.352 2.737 . 0 0 "[ . ]" 1
169 1 4 DA H5'' 2 1 NCG H1' 4.300 4.100 4.800 4.217 4.084 4.596 0.016 6 0 "[ . ]" 1
170 1 4 DA H4' 2 1 NCG H1' 3.500 3.200 3.800 3.388 3.196 3.606 0.004 4 0 "[ . ]" 1
171 1 3 DC H4' 2 1 NCG H8 2.800 2.600 3.300 2.683 2.571 2.868 0.029 6 0 "[ . ]" 1
172 1 3 DC H1' 2 1 NCG H8 3.320 2.920 3.720 3.461 3.012 3.740 0.020 7 0 "[ . ]" 1
173 1 3 DC H5'' 2 1 NCG H8 4.600 4.400 5.000 4.512 4.413 4.614 . 0 0 "[ . ]" 1
174 1 3 DC H5' 2 1 NCG H8 3.400 3.100 3.800 3.271 3.086 3.536 0.014 7 0 "[ . ]" 1
175 1 3 DC H5'' 2 1 NCG H6 3.800 3.600 4.100 3.717 3.651 3.797 . 0 0 "[ . ]" 1
176 1 3 DC H4' 2 1 NCG H6 3.100 2.800 3.400 3.187 2.925 3.355 . 0 0 "[ . ]" 1
177 1 3 DC H5' 2 1 NCG H6 2.600 2.400 2.800 2.425 2.359 2.481 0.041 6 0 "[ . ]" 1
178 1 3 DC H1' 2 1 NCG H1' 2.520 2.220 2.820 2.098 2.064 2.165 0.156 7 0 "[ . ]" 1
179 1 3 DC H4' 2 1 NCG H1' 4.200 3.900 4.500 4.158 3.869 4.374 0.031 3 0 "[ . ]" 1
180 1 3 DC H2' 2 1 NCG H1' 4.900 4.700 5.100 5.032 4.969 5.093 . 0 0 "[ . ]" 1
181 1 3 DC H2'' 2 1 NCG H1' 4.000 3.800 4.200 4.105 3.911 4.208 0.008 7 0 "[ . ]" 1
182 1 2 DC H1' 2 1 NCG H5 4.150 3.950 4.350 4.293 4.103 4.410 0.060 2 0 "[ . ]" 1
183 1 2 DC H1' 2 1 NCG H6 3.350 3.050 3.650 3.328 3.128 3.487 . 0 0 "[ . ]" 1
184 1 2 DC H2'' 2 1 NCG H6 3.110 2.810 3.410 3.369 3.196 3.457 0.047 5 0 "[ . ]" 1
185 1 2 DC H2' 2 1 NCG H6 4.800 4.500 5.200 5.043 4.879 5.130 . 0 0 "[ . ]" 1
186 1 9 DG H1' 2 1 NCG H92 4.500 4.200 5.500 4.207 4.142 4.558 0.058 5 0 "[ . ]" 1
187 1 8 DA H5'' 2 1 NCG H92 4.500 4.000 5.000 4.607 4.531 4.683 . 0 0 "[ . ]" 1
188 1 8 DA H5' 2 1 NCG H92 3.500 3.000 4.000 3.008 2.953 3.106 0.047 8 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 18
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 0.000 0.000 . 0 "[ . ]"
1 2 DC 0.000 0.000 . 0 "[ . ]"
1 3 DC 0.000 0.000 . 0 "[ . ]"
1 7 DG 0.000 0.000 . 0 "[ . ]"
1 9 DG 0.000 0.000 . 0 "[ . ]"
1 10 DC 0.000 0.000 . 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 DG O6 1 10 DC H41 1.950 . 2.250 1.950 1.943 1.955 . 0 0 "[ . ]" 2
2 1 2 DC H41 1 9 DG O6 1.950 . 2.250 1.942 1.938 1.946 . 0 0 "[ . ]" 2
3 1 3 DC H41 1 7 DG O6 1.950 . 2.250 1.956 1.950 1.967 . 0 0 "[ . ]" 2
4 1 1 DG H21 1 10 DC O2 1.950 . 2.250 1.942 1.935 1.947 . 0 0 "[ . ]" 2
5 1 2 DC O2 1 9 DG H21 1.950 . 2.250 1.937 1.930 1.941 . 0 0 "[ . ]" 2
6 1 3 DC O2 1 7 DG H21 1.950 . 2.250 1.941 1.936 1.948 . 0 0 "[ . ]" 2
7 1 1 DG H1 1 10 DC N3 1.950 . 2.250 1.967 1.949 1.985 . 0 0 "[ . ]" 2
8 1 2 DC N3 1 9 DG H1 1.950 . 2.250 1.971 1.967 1.976 . 0 0 "[ . ]" 2
9 1 3 DC N3 1 7 DG H1 1.950 . 2.250 1.971 1.963 1.978 . 0 0 "[ . ]" 2
10 1 1 DG O6 1 10 DC N4 2.950 2.600 3.200 2.911 2.902 2.923 . 0 0 "[ . ]" 2
11 1 2 DC N4 1 9 DG O6 2.950 2.600 3.200 2.913 2.905 2.924 . 0 0 "[ . ]" 2
12 1 3 DC N4 1 7 DG O6 2.950 2.600 3.200 2.908 2.897 2.919 . 0 0 "[ . ]" 2
13 1 1 DG N2 1 10 DC O2 2.950 2.600 3.200 2.921 2.897 2.942 . 0 0 "[ . ]" 2
14 1 2 DC O2 1 9 DG N2 2.950 2.600 3.200 2.925 2.916 2.933 . 0 0 "[ . ]" 2
15 1 3 DC O2 1 7 DG N2 2.950 2.600 3.200 2.924 2.916 2.930 . 0 0 "[ . ]" 2
16 1 1 DG N1 1 10 DC N3 2.900 2.650 3.250 2.927 2.914 2.940 . 0 0 "[ . ]" 2
17 1 2 DC N3 1 9 DG N1 2.900 2.650 3.250 2.951 2.942 2.960 . 0 0 "[ . ]" 2
18 1 3 DC N3 1 7 DG N1 2.900 2.650 3.250 2.943 2.933 2.950 . 0 0 "[ . ]" 2
stop_
save_
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