NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385819 |
1lai   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lai
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 190
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 1.174
_Distance_constraint_stats_list.Viol_max 0.270
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0452
_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 0.075 0.075 1 0 "[ ]"
1 2 DG 0.108 0.085 1 0 "[ ]"
1 3 DC 0.054 0.031 1 0 "[ ]"
1 4 DG 0.031 0.031 1 0 "[ ]"
1 5 DG 0.102 0.102 1 0 "[ ]"
1 6 DT 0.185 0.102 1 0 "[ ]"
1 7 DG 0.284 0.270 1 0 "[ ]"
1 8 DT 0.312 0.270 1 0 "[ ]"
1 9 DC 0.003 0.003 1 0 "[ ]"
1 10 DC 0.000 0.000 . 0 "[ ]"
1 11 DG 0.013 0.013 1 0 "[ ]"
1 12 DC 0.013 0.013 1 0 "[ ]"
1 13 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.076 0.076 1 0 "[ ]"
2 2 DG 0.042 0.017 1 0 "[ ]"
2 3 DC 0.046 0.021 1 0 "[ ]"
2 4 DG 0.038 0.021 1 0 "[ ]"
2 5 DG 0.017 0.011 1 0 "[ ]"
2 6 DA 0.122 0.070 1 0 "[ ]"
2 7 DC 0.229 0.083 1 0 "[ ]"
2 8 DA 0.079 0.076 1 0 "[ ]"
2 9 DC 0.003 0.003 1 0 "[ ]"
2 10 DC 0.000 0.000 . 0 "[ ]"
2 11 DG 0.012 0.012 1 0 "[ ]"
2 12 DC 0.012 0.012 1 0 "[ ]"
2 13 DG 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 DC H1' 1 1 DC H6 3.760 2.690 4.830 3.718 3.718 3.718 . 0 0 "[ ]" 1
2 1 1 DC H2' 1 1 DC H6 2.560 2.230 2.890 2.155 2.155 2.155 0.075 1 0 "[ ]" 1
3 1 1 DC H1' 1 1 DC H3' 2.960 2.040 3.880 3.866 3.866 3.866 . 0 0 "[ ]" 1
4 1 1 DC H1' 1 2 DG H3' 4.850 3.700 6.000 5.464 5.464 5.464 . 0 0 "[ ]" 1
5 1 1 DC H2' 1 1 DC H3' 2.580 2.250 2.910 2.317 2.317 2.317 . 0 0 "[ ]" 1
6 1 1 DC H4' 1 1 DC H6 3.850 2.860 4.850 4.416 4.416 4.416 . 0 0 "[ ]" 1
7 1 1 DC H2' 1 1 DC H5 3.570 2.210 4.930 4.271 4.271 4.271 . 0 0 "[ ]" 1
8 1 1 DC H5 1 1 DC Q5' 4.760 3.100 6.430 5.244 5.244 5.244 . 0 0 "[ ]" 1
9 1 1 DC H3' 1 1 DC H6 3.210 2.170 4.250 3.934 3.934 3.934 . 0 0 "[ ]" 1
10 1 1 DC Q5' 1 1 DC H6 3.750 2.480 5.010 3.320 3.320 3.320 . 0 0 "[ ]" 1
11 1 1 DC H1' 1 1 DC Q5' 3.830 2.620 5.040 4.342 4.342 4.342 . 0 0 "[ ]" 1
12 1 1 DC H2' 1 1 DC Q5' 3.070 2.210 3.930 3.379 3.379 3.379 . 0 0 "[ ]" 1
13 1 1 DC H2'' 1 1 DC Q5' 4.220 3.570 4.870 4.325 4.325 4.325 . 0 0 "[ ]" 1
14 1 1 DC H3' 1 1 DC Q5' 2.900 . 3.830 2.345 2.345 2.345 . 0 0 "[ ]" 1
15 1 2 DG H1' 1 2 DG H8 2.740 . 3.730 3.815 3.815 3.815 0.085 1 0 "[ ]" 1
16 1 2 DG H3' 1 2 DG H8 3.570 2.650 4.490 3.961 3.961 3.961 . 0 0 "[ ]" 1
17 1 2 DG H1' 1 2 DG H3' 3.340 2.640 4.050 3.913 3.913 3.913 . 0 0 "[ ]" 1
18 1 2 DG H4' 1 2 DG H8 4.880 4.030 5.740 4.998 4.998 4.998 . 0 0 "[ ]" 1
19 1 2 DG H8 1 3 DC H5 3.130 2.540 3.720 3.733 3.733 3.733 0.013 1 0 "[ ]" 1
20 1 1 DC H6 1 2 DG H8 5.000 4.600 5.400 5.099 5.099 5.099 . 0 0 "[ ]" 1
21 1 2 DG H1' 1 3 DC H5 2.850 . 3.700 3.709 3.709 3.709 0.009 1 0 "[ ]" 1
22 1 2 DG H3' 1 3 DC H5 4.340 3.270 5.410 4.933 4.933 4.933 . 0 0 "[ ]" 1
23 1 3 DC H1' 1 3 DC H3' 3.340 2.620 4.060 3.916 3.916 3.916 . 0 0 "[ ]" 1
24 1 2 DG H8 1 3 DC H6 5.000 4.600 5.400 5.224 5.224 5.224 . 0 0 "[ ]" 1
25 1 3 DC H2' 1 4 DG H8 3.790 3.390 4.190 3.451 3.451 3.451 . 0 0 "[ ]" 1
26 1 3 DC H2'' 1 4 DG H8 2.900 2.300 3.500 2.269 2.269 2.269 0.031 1 0 "[ ]" 1
27 1 4 DG H3' 1 4 DG H8 3.700 2.780 4.620 4.242 4.242 4.242 . 0 0 "[ ]" 1
28 1 3 DC H3' 1 4 DG H8 4.250 3.230 5.280 4.751 4.751 4.751 . 0 0 "[ ]" 1
29 1 4 DG H1' 1 4 DG H3' 3.380 2.810 3.950 3.841 3.841 3.841 . 0 0 "[ ]" 1
30 1 4 DG H4' 1 4 DG H8 5.150 4.500 5.810 5.069 5.069 5.069 . 0 0 "[ ]" 1
31 1 4 DG H1' 1 4 DG H4' 3.060 2.230 3.890 3.389 3.389 3.389 . 0 0 "[ ]" 1
32 1 4 DG H1' 1 5 DG H4' 4.290 3.490 5.090 4.579 4.579 4.579 . 0 0 "[ ]" 1
33 1 4 DG H5' 1 4 DG H8 3.790 3.130 4.450 4.448 4.448 4.448 . 0 0 "[ ]" 1
34 1 4 DG H5'' 1 4 DG H8 4.620 3.880 5.350 4.854 4.854 4.854 . 0 0 "[ ]" 1
35 1 3 DC H6 1 4 DG H8 5.000 4.600 5.400 5.041 5.041 5.041 . 0 0 "[ ]" 1
36 1 4 DG H1' 1 5 DG H8 2.960 2.010 3.900 3.148 3.148 3.148 . 0 0 "[ ]" 1
37 1 5 DG H3' 1 5 DG H8 3.620 2.330 4.910 4.120 4.120 4.120 . 0 0 "[ ]" 1
38 1 4 DG H3' 1 5 DG H8 5.190 4.590 5.780 4.942 4.942 4.942 . 0 0 "[ ]" 1
39 1 5 DG H4' 1 5 DG H8 4.380 3.770 5.000 4.933 4.933 4.933 . 0 0 "[ ]" 1
40 1 5 DG H1' 1 6 DT H4' 4.600 4.000 5.200 4.458 4.458 4.458 . 0 0 "[ ]" 1
41 1 5 DG Q2' 1 5 DG H4' 3.270 2.180 4.160 3.490 3.490 3.490 . 0 0 "[ ]" 1
42 1 5 DG Q5' 1 5 DG H8 4.030 3.190 4.860 3.962 3.962 3.962 . 0 0 "[ ]" 1
43 1 6 DT H1' 1 6 DT H6 3.040 2.110 3.970 3.734 3.734 3.734 . 0 0 "[ ]" 1
44 1 5 DG H1' 1 6 DT H6 2.910 2.180 3.640 3.032 3.032 3.032 . 0 0 "[ ]" 1
45 1 6 DT H2' 1 6 DT H6 2.420 2.190 2.650 2.121 2.121 2.121 0.069 1 0 "[ ]" 1
46 1 6 DT H1' 1 6 DT H2' 3.160 2.450 3.870 3.016 3.016 3.016 . 0 0 "[ ]" 1
47 1 6 DT H1' 1 6 DT H2'' 2.250 2.020 2.480 2.316 2.316 2.316 . 0 0 "[ ]" 1
48 1 6 DT H1' 1 6 DT H3' 2.960 . 4.050 3.874 3.874 3.874 . 0 0 "[ ]" 1
49 1 6 DT H1' 1 7 DG H4' 4.600 4.000 5.200 4.705 4.705 4.705 . 0 0 "[ ]" 1
50 1 6 DT H6 1 6 DT M7 2.490 2.030 2.950 2.344 2.344 2.344 . 0 0 "[ ]" 1
51 1 5 DG H8 1 6 DT H6 5.000 4.600 5.400 5.158 5.158 5.158 . 0 0 "[ ]" 1
52 1 5 DG H8 1 6 DT M7 3.940 3.090 4.790 2.988 2.988 2.988 0.102 1 0 "[ ]" 1
53 1 7 DG H1' 1 7 DG H8 3.020 2.030 4.020 3.869 3.869 3.869 . 0 0 "[ ]" 1
54 1 6 DT H1' 1 7 DG H8 3.040 2.080 4.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
55 1 6 DT H2' 1 7 DG H8 3.890 3.400 4.380 3.387 3.387 3.387 0.013 1 0 "[ ]" 1
56 1 7 DG H4' 1 7 DG H8 5.340 4.630 6.050 5.003 5.003 5.003 . 0 0 "[ ]" 1
57 1 6 DT H6 1 7 DG H8 5.000 4.600 5.400 4.867 4.867 4.867 . 0 0 "[ ]" 1
58 1 8 DT H1' 1 8 DT H6 2.960 . 4.050 3.753 3.753 3.753 . 0 0 "[ ]" 1
59 1 7 DG H1' 1 8 DT H6 3.000 2.170 3.820 3.214 3.214 3.214 . 0 0 "[ ]" 1
60 1 8 DT H2' 1 8 DT H6 2.330 2.120 2.540 2.081 2.081 2.081 0.039 1 0 "[ ]" 1
61 1 8 DT H1' 1 8 DT H2' 3.050 2.510 3.600 3.023 3.023 3.023 . 0 0 "[ ]" 1
62 1 8 DT H1' 1 8 DT H2'' 2.240 2.060 2.420 2.336 2.336 2.336 . 0 0 "[ ]" 1
63 1 8 DT H1' 1 8 DT H3' 3.040 . 4.120 3.829 3.829 3.829 . 0 0 "[ ]" 1
64 1 8 DT H4' 1 8 DT H6 3.820 2.930 4.700 4.698 4.698 4.698 . 0 0 "[ ]" 1
65 1 8 DT H1' 1 8 DT H4' 3.440 2.420 4.460 3.296 3.296 3.296 . 0 0 "[ ]" 1
66 1 8 DT H1' 1 9 DC H4' 4.600 4.000 5.200 4.982 4.982 4.982 . 0 0 "[ ]" 1
67 1 8 DT H6 1 9 DC H5 3.990 3.240 4.740 3.865 3.865 3.865 . 0 0 "[ ]" 1
68 1 8 DT H6 1 8 DT M7 2.500 2.210 2.790 2.335 2.335 2.335 . 0 0 "[ ]" 1
69 1 7 DG H8 1 8 DT M7 3.730 2.940 4.520 2.670 2.670 2.670 0.270 1 0 "[ ]" 1
70 1 9 DC H1' 1 9 DC H6 3.170 2.170 4.170 3.726 3.726 3.726 . 0 0 "[ ]" 1
71 1 8 DT H1' 1 9 DC H6 3.430 2.760 4.100 3.316 3.316 3.316 . 0 0 "[ ]" 1
72 1 8 DT H1' 1 9 DC H5 3.050 2.200 3.900 3.794 3.794 3.794 . 0 0 "[ ]" 1
73 1 9 DC H1' 1 9 DC H2' 3.040 2.430 3.650 2.985 2.985 2.985 . 0 0 "[ ]" 1
74 1 9 DC H1' 1 10 DC H4' 4.600 4.000 5.200 4.771 4.771 4.771 . 0 0 "[ ]" 1
75 1 8 DT H6 1 9 DC H6 5.000 4.600 5.400 5.403 5.403 5.403 0.003 1 0 "[ ]" 1
76 1 10 DC H1' 1 10 DC H6 2.900 . 3.880 3.733 3.733 3.733 . 0 0 "[ ]" 1
77 1 9 DC H1' 1 10 DC H6 3.640 3.010 4.270 3.011 3.011 3.011 . 0 0 "[ ]" 1
78 1 9 DC H1' 1 10 DC H5 3.430 2.620 4.240 3.610 3.610 3.610 . 0 0 "[ ]" 1
79 1 11 DG H1' 1 11 DG H3' 3.310 2.580 4.040 3.951 3.951 3.951 . 0 0 "[ ]" 1
80 1 10 DC H6 1 11 DG H8 5.000 4.600 5.400 5.072 5.072 5.072 . 0 0 "[ ]" 1
81 1 11 DG H1' 1 12 DC H5 3.190 2.290 4.090 4.103 4.103 4.103 0.013 1 0 "[ ]" 1
82 1 11 DG H3' 1 12 DC H5 5.020 4.460 5.580 4.992 4.992 4.992 . 0 0 "[ ]" 1
83 1 13 DG H1' 1 13 DG H8 3.730 2.440 5.020 3.868 3.868 3.868 . 0 0 "[ ]" 1
84 1 13 DG H1' 1 13 DG H2'' 2.270 2.020 2.520 2.311 2.311 2.311 . 0 0 "[ ]" 1
85 1 13 DG H1' 1 13 DG H3' 3.800 2.760 4.840 3.914 3.914 3.914 . 0 0 "[ ]" 1
86 1 13 DG H2' 1 13 DG H3' 2.410 2.240 2.570 2.320 2.320 2.320 . 0 0 "[ ]" 1
87 1 12 DC H6 1 13 DG H8 5.000 4.600 5.400 5.163 5.163 5.163 . 0 0 "[ ]" 1
88 2 1 DC H1' 2 1 DC H6 3.640 2.650 4.630 3.725 3.725 3.725 . 0 0 "[ ]" 1
89 2 1 DC H2' 2 1 DC H6 2.650 2.250 3.050 2.174 2.174 2.174 0.076 1 0 "[ ]" 1
90 2 1 DC H3' 2 1 DC H6 3.210 2.090 4.330 3.960 3.960 3.960 . 0 0 "[ ]" 1
91 2 1 DC H1' 2 1 DC H3' 3.090 2.050 4.130 3.868 3.868 3.868 . 0 0 "[ ]" 1
92 2 1 DC H1' 2 2 DG H3' 4.890 3.780 6.000 5.498 5.498 5.498 . 0 0 "[ ]" 1
93 2 1 DC H2' 2 1 DC H3' 2.530 2.300 2.760 2.316 2.316 2.316 . 0 0 "[ ]" 1
94 2 1 DC H4' 2 1 DC H6 3.960 2.940 4.970 4.413 4.413 4.413 . 0 0 "[ ]" 1
95 2 1 DC H2' 2 1 DC H5 3.600 2.200 5.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
96 2 1 DC H5 2 1 DC Q5' 5.030 3.490 6.560 5.238 5.238 5.238 . 0 0 "[ ]" 1
97 2 1 DC Q5' 2 1 DC H6 3.410 2.430 4.390 3.297 3.297 3.297 . 0 0 "[ ]" 1
98 2 1 DC H1' 2 1 DC Q5' 3.850 2.830 4.870 4.332 4.332 4.332 . 0 0 "[ ]" 1
99 2 1 DC H2' 2 1 DC Q5' 3.540 2.670 4.410 3.315 3.315 3.315 . 0 0 "[ ]" 1
100 2 1 DC H2'' 2 1 DC Q5' 4.110 3.510 4.700 4.270 4.270 4.270 . 0 0 "[ ]" 1
101 2 1 DC H3' 2 1 DC Q5' 2.960 2.020 3.900 2.290 2.290 2.290 . 0 0 "[ ]" 1
102 2 2 DG H1' 2 2 DG H8 2.910 . 4.020 3.858 3.858 3.858 . 0 0 "[ ]" 1
103 2 2 DG H3' 2 2 DG H8 3.470 2.460 4.480 3.942 3.942 3.942 . 0 0 "[ ]" 1
104 2 2 DG H1' 2 2 DG H3' 3.410 2.690 4.130 3.937 3.937 3.937 . 0 0 "[ ]" 1
105 2 2 DG H4' 2 2 DG H8 4.710 3.910 5.510 4.939 4.939 4.939 . 0 0 "[ ]" 1
106 2 2 DG H8 2 3 DC H5 3.250 2.680 3.820 3.837 3.837 3.837 0.017 1 0 "[ ]" 1
107 2 2 DG H5'' 2 2 DG H8 3.630 2.620 4.640 4.657 4.657 4.657 0.017 1 0 "[ ]" 1
108 2 1 DC H6 2 2 DG H8 5.000 4.600 5.400 5.294 5.294 5.294 . 0 0 "[ ]" 1
109 2 2 DG H1' 2 3 DC H5 3.060 2.210 3.910 3.918 3.918 3.918 0.008 1 0 "[ ]" 1
110 2 2 DG H3' 2 3 DC H5 4.330 3.140 5.510 5.078 5.078 5.078 . 0 0 "[ ]" 1
111 2 3 DC H1' 2 4 DG H4' 4.600 4.000 5.200 5.131 5.131 5.131 . 0 0 "[ ]" 1
112 2 2 DG H8 2 3 DC H6 5.000 4.600 5.400 5.172 5.172 5.172 . 0 0 "[ ]" 1
113 2 4 DG H1' 2 4 DG H8 2.960 . 4.090 3.850 3.850 3.850 . 0 0 "[ ]" 1
114 2 3 DC H1' 2 4 DG H8 3.380 2.630 4.130 3.475 3.475 3.475 . 0 0 "[ ]" 1
115 2 3 DC H2' 2 4 DG H8 3.920 3.400 4.450 3.870 3.870 3.870 . 0 0 "[ ]" 1
116 2 3 DC H2'' 2 4 DG H8 3.190 2.290 4.090 2.269 2.269 2.269 0.021 1 0 "[ ]" 1
117 2 4 DG H4' 2 4 DG H8 4.080 3.080 5.080 4.844 4.844 4.844 . 0 0 "[ ]" 1
118 2 4 DG H1' 2 4 DG H4' 3.390 2.620 4.160 3.515 3.515 3.515 . 0 0 "[ ]" 1
119 2 4 DG H1' 2 5 DG H4' 4.600 4.000 5.200 4.578 4.578 4.578 . 0 0 "[ ]" 1
120 2 4 DG H5'' 2 4 DG H8 4.440 3.100 5.780 4.426 4.426 4.426 . 0 0 "[ ]" 1
121 2 4 DG H2' 2 5 DG H8 3.950 3.400 4.500 3.389 3.389 3.389 0.011 1 0 "[ ]" 1
122 2 4 DG H2'' 2 5 DG H8 3.150 2.300 4.000 2.294 2.294 2.294 0.006 1 0 "[ ]" 1
123 2 4 DG H3' 2 5 DG H8 4.750 4.100 5.400 4.745 4.745 4.745 . 0 0 "[ ]" 1
124 2 5 DG H4' 2 5 DG H8 4.680 3.940 5.420 5.098 5.098 5.098 . 0 0 "[ ]" 1
125 2 5 DG H1' 2 6 DA H4' 4.180 3.260 5.100 4.713 4.713 4.713 . 0 0 "[ ]" 1
126 2 6 DA H1' 2 6 DA H8 3.550 2.560 4.550 3.831 3.831 3.831 . 0 0 "[ ]" 1
127 2 5 DG H1' 2 6 DA H8 3.220 2.350 4.090 3.152 3.152 3.152 . 0 0 "[ ]" 1
128 1 9 DC H1' 2 6 DA H2 4.630 3.710 5.550 4.848 4.848 4.848 . 0 0 "[ ]" 1
129 2 6 DA H1' 2 6 DA H2 5.190 4.630 5.750 4.600 4.600 4.600 0.030 1 0 "[ ]" 1
130 2 6 DA H2 2 7 DC H1' 4.210 3.590 4.830 4.828 4.828 4.828 . 0 0 "[ ]" 1
131 2 6 DA H2'' 2 6 DA H8 2.960 2.350 3.580 3.601 3.601 3.601 0.021 1 0 "[ ]" 1
132 2 6 DA H1' 2 6 DA H2'' 2.260 2.090 2.440 2.300 2.300 2.300 . 0 0 "[ ]" 1
133 2 6 DA H3' 2 6 DA H8 3.440 2.440 4.440 3.891 3.891 3.891 . 0 0 "[ ]" 1
134 2 6 DA H1' 2 6 DA H3' 3.060 . 4.120 3.947 3.947 3.947 . 0 0 "[ ]" 1
135 2 6 DA H4' 2 6 DA H8 4.200 3.490 4.910 4.752 4.752 4.752 . 0 0 "[ ]" 1
136 2 6 DA H1' 2 7 DC H4' 4.600 4.000 5.200 4.554 4.554 4.554 . 0 0 "[ ]" 1
137 2 6 DA H2' 2 6 DA H4' 4.300 3.270 5.330 3.870 3.870 3.870 . 0 0 "[ ]" 1
138 2 6 DA H2'' 2 6 DA H4' 3.180 2.060 4.300 4.003 4.003 4.003 . 0 0 "[ ]" 1
139 2 6 DA H8 2 7 DC H5 3.610 3.210 4.010 3.859 3.859 3.859 . 0 0 "[ ]" 1
140 2 5 DG H8 2 6 DA H8 5.000 4.600 5.400 5.032 5.032 5.032 . 0 0 "[ ]" 1
141 2 7 DC H1' 2 7 DC H6 3.130 2.150 4.120 3.746 3.746 3.746 . 0 0 "[ ]" 1
142 2 6 DA H1' 2 7 DC H6 3.330 2.600 4.050 3.253 3.253 3.253 . 0 0 "[ ]" 1
143 2 6 DA H1' 2 7 DC H1' 5.080 4.510 5.650 4.795 4.795 4.795 . 0 0 "[ ]" 1
144 2 7 DC H2' 2 7 DC H6 2.350 2.120 2.580 2.037 2.037 2.037 0.083 1 0 "[ ]" 1
145 2 6 DA H2' 2 7 DC H6 3.670 3.400 3.940 3.757 3.757 3.757 . 0 0 "[ ]" 1
146 2 7 DC H2'' 2 7 DC H6 3.410 2.650 4.160 3.558 3.558 3.558 . 0 0 "[ ]" 1
147 2 6 DA H2'' 2 7 DC H6 2.570 2.300 2.840 2.230 2.230 2.230 0.070 1 0 "[ ]" 1
148 2 7 DC H1' 2 7 DC H4' 2.840 2.190 3.500 3.436 3.436 3.436 . 0 0 "[ ]" 1
149 2 7 DC H1' 2 8 DA H4' 4.600 4.000 5.200 4.773 4.773 4.773 . 0 0 "[ ]" 1
150 2 7 DC H2' 2 7 DC H5 3.290 . 4.580 4.284 4.284 4.284 . 0 0 "[ ]" 1
151 2 7 DC H2'' 2 7 DC H5 4.330 2.950 5.710 5.554 5.554 5.554 . 0 0 "[ ]" 1
152 2 6 DA H8 2 7 DC H6 5.000 4.600 5.400 5.221 5.221 5.221 . 0 0 "[ ]" 1
153 2 8 DA H1' 2 8 DA H8 3.500 2.540 4.460 3.839 3.839 3.839 . 0 0 "[ ]" 1
154 2 7 DC H1' 2 8 DA H8 3.060 2.460 3.660 3.269 3.269 3.269 . 0 0 "[ ]" 1
155 2 8 DA H1' 2 8 DA H2 5.150 4.540 5.770 4.553 4.553 4.553 . 0 0 "[ ]" 1
156 2 8 DA H2 2 9 DC H1' 4.080 3.410 4.750 4.030 4.030 4.030 . 0 0 "[ ]" 1
157 2 7 DC H1' 2 8 DA H1' 4.840 4.170 5.510 5.300 5.300 5.300 . 0 0 "[ ]" 1
158 2 8 DA H2' 2 8 DA H8 2.160 . 2.330 2.079 2.079 2.079 . 0 0 "[ ]" 1
159 2 7 DC H2' 2 8 DA H8 3.850 3.400 4.300 3.680 3.680 3.680 . 0 0 "[ ]" 1
160 2 8 DA H2'' 2 8 DA H8 2.990 2.320 3.660 3.639 3.639 3.639 . 0 0 "[ ]" 1
161 2 7 DC H2'' 2 8 DA H8 2.840 2.300 3.380 2.224 2.224 2.224 0.076 1 0 "[ ]" 1
162 2 8 DA H1' 2 8 DA H2'' 2.170 . 2.350 2.305 2.305 2.305 . 0 0 "[ ]" 1
163 2 8 DA H3' 2 8 DA H8 3.500 2.420 4.580 3.933 3.933 3.933 . 0 0 "[ ]" 1
164 2 7 DC H3' 2 8 DA H8 4.090 3.140 5.050 4.859 4.859 4.859 . 0 0 "[ ]" 1
165 2 8 DA H1' 2 8 DA H3' 3.180 2.320 4.050 3.941 3.941 3.941 . 0 0 "[ ]" 1
166 2 8 DA H1' 2 9 DC H3' 5.100 4.200 6.000 5.031 5.031 5.031 . 0 0 "[ ]" 1
167 2 8 DA H4' 2 8 DA H8 4.110 3.230 4.990 4.783 4.783 4.783 . 0 0 "[ ]" 1
168 2 8 DA H1' 2 9 DC H4' 4.600 4.000 5.200 4.049 4.049 4.049 . 0 0 "[ ]" 1
169 2 8 DA H2'' 2 8 DA H4' 3.890 2.790 4.990 3.984 3.984 3.984 . 0 0 "[ ]" 1
170 2 8 DA H8 2 9 DC H5 3.530 3.050 4.010 3.522 3.522 3.522 . 0 0 "[ ]" 1
171 2 7 DC H6 2 8 DA H8 5.000 4.600 5.400 5.045 5.045 5.045 . 0 0 "[ ]" 1
172 2 9 DC H1' 2 9 DC H6 3.120 2.190 4.040 3.744 3.744 3.744 . 0 0 "[ ]" 1
173 2 8 DA H1' 2 9 DC H6 3.320 2.680 3.950 3.248 3.248 3.248 . 0 0 "[ ]" 1
174 2 9 DC H1' 2 9 DC H3' 3.170 2.020 4.310 3.831 3.831 3.831 . 0 0 "[ ]" 1
175 2 9 DC H1' 2 10 DC H4' 4.600 4.000 5.200 4.950 4.950 4.950 . 0 0 "[ ]" 1
176 2 9 DC H6 2 10 DC H5 3.240 2.580 3.890 3.775 3.775 3.775 . 0 0 "[ ]" 1
177 2 9 DC H2' 2 9 DC H5 3.350 2.010 4.690 4.333 4.333 4.333 . 0 0 "[ ]" 1
178 2 9 DC H2'' 2 9 DC H5 4.240 2.770 5.700 5.515 5.515 5.515 . 0 0 "[ ]" 1
179 2 8 DA H8 2 9 DC H6 5.000 4.600 5.400 4.597 4.597 4.597 0.003 1 0 "[ ]" 1
180 2 9 DC H1' 2 10 DC H6 3.010 2.380 3.640 3.187 3.187 3.187 . 0 0 "[ ]" 1
181 2 9 DC H1' 2 10 DC H5 3.590 2.640 4.540 3.831 3.831 3.831 . 0 0 "[ ]" 1
182 2 11 DG H1' 2 11 DG H3' 3.270 2.500 4.040 3.960 3.960 3.960 . 0 0 "[ ]" 1
183 2 10 DC H6 2 11 DG H8 5.000 4.600 5.400 5.147 5.147 5.147 . 0 0 "[ ]" 1
184 2 11 DG H1' 2 12 DC H5 3.290 2.410 4.170 4.182 4.182 4.182 0.012 1 0 "[ ]" 1
185 2 11 DG H3' 2 12 DC H5 5.010 4.370 5.650 4.779 4.779 4.779 . 0 0 "[ ]" 1
186 2 13 DG H1' 2 13 DG H8 3.900 2.610 5.190 3.871 3.871 3.871 . 0 0 "[ ]" 1
187 2 13 DG H1' 2 13 DG H2'' 2.210 . 2.440 2.312 2.312 2.312 . 0 0 "[ ]" 1
188 2 13 DG H1' 2 13 DG H3' 3.900 2.840 4.960 3.920 3.920 3.920 . 0 0 "[ ]" 1
189 2 13 DG H2' 2 13 DG H3' 2.390 2.230 2.550 2.321 2.321 2.321 . 0 0 "[ ]" 1
190 2 12 DC H6 2 13 DG H8 5.000 4.600 5.400 5.219 5.219 5.219 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 149
_Distance_constraint_stats_list.Viol_count 35
_Distance_constraint_stats_list.Viol_total 4.099
_Distance_constraint_stats_list.Viol_max 1.005
_Distance_constraint_stats_list.Viol_rms 0.1193
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0275
_Distance_constraint_stats_list.Viol_average_violations_only 0.1171
_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 0.124 0.117 1 0 "[ ]"
1 2 DG 0.014 0.008 1 0 "[ ]"
1 3 DC 0.000 0.000 . 0 "[ ]"
1 4 DG 0.000 0.000 . 0 "[ ]"
1 5 DG 0.944 0.938 1 1 [+]
1 6 DT 1.073 0.938 1 1 [+]
1 7 DG 1.221 1.005 1 1 [+]
1 8 DT 1.513 1.005 1 1 [+]
1 9 DC 0.088 0.047 1 0 "[ ]"
1 10 DC 0.099 0.050 1 0 "[ ]"
1 11 DG 0.069 0.069 1 0 "[ ]"
1 12 DC 0.129 0.069 1 0 "[ ]"
1 13 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.114 0.114 1 0 "[ ]"
2 2 DG 0.000 0.000 . 0 "[ ]"
2 3 DC 0.041 0.041 1 0 "[ ]"
2 4 DG 0.087 0.077 1 0 "[ ]"
2 5 DG 0.095 0.047 1 0 "[ ]"
2 6 DA 0.050 0.047 1 0 "[ ]"
2 7 DC 0.000 0.000 . 0 "[ ]"
2 8 DA 0.143 0.062 1 0 "[ ]"
2 9 DC 0.204 0.062 1 0 "[ ]"
2 10 DC 0.210 0.099 1 0 "[ ]"
2 11 DG 0.100 0.088 1 0 "[ ]"
2 12 DC 0.166 0.088 1 0 "[ ]"
2 13 DG 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 DC H2'' 1 1 DC H6 2.710 . 3.540 3.657 3.657 3.657 0.117 1 0 "[ ]" 2
2 1 1 DC H2'' 1 1 DC H3' 2.460 2.010 2.910 2.679 2.679 2.679 . 0 0 "[ ]" 2
3 1 1 DC H1' 1 2 DG H4' 3.810 2.530 5.100 4.782 4.782 4.782 . 0 0 "[ ]" 2
4 1 1 DC H2' 1 1 DC H4' 3.790 2.750 4.830 3.826 3.826 3.826 . 0 0 "[ ]" 2
5 1 1 DC H1' 1 2 DG H8 3.280 2.430 4.130 3.748 3.748 3.748 . 0 0 "[ ]" 2
6 1 1 DC H2' 1 2 DG H8 3.590 3.400 3.780 3.536 3.536 3.536 . 0 0 "[ ]" 2
7 1 1 DC H3' 1 2 DG H8 3.890 2.990 4.790 4.798 4.798 4.798 0.008 1 0 "[ ]" 2
8 1 2 DG H5' 1 2 DG H8 3.920 3.270 4.580 4.473 4.473 4.473 . 0 0 "[ ]" 2
9 1 2 DG H5'' 1 2 DG H8 3.910 2.950 4.870 4.876 4.876 4.876 0.006 1 0 "[ ]" 2
10 1 2 DG H1' 1 3 DC H6 3.330 2.560 4.090 3.036 3.036 3.036 . 0 0 "[ ]" 2
11 1 3 DC H1' 1 3 DC H5 5.120 4.450 5.790 5.444 5.444 5.444 . 0 0 "[ ]" 2
12 1 2 DG H2'' 1 3 DC H5 2.830 2.260 3.390 2.549 2.549 2.549 . 0 0 "[ ]" 2
13 1 2 DG H3' 1 3 DC H6 4.500 3.640 5.370 4.882 4.882 4.882 . 0 0 "[ ]" 2
14 1 3 DC H1' 1 4 DG H4' 4.010 2.930 5.090 4.761 4.761 4.761 . 0 0 "[ ]" 2
15 1 3 DC H2'' 1 3 DC H5 3.960 2.220 5.700 5.597 5.597 5.597 . 0 0 "[ ]" 2
16 1 4 DG H1' 1 4 DG H8 2.750 . 3.870 3.858 3.858 3.858 . 0 0 "[ ]" 2
17 1 3 DC H1' 1 4 DG H8 3.360 2.640 4.070 3.814 3.814 3.814 . 0 0 "[ ]" 2
18 1 5 DG Q2' 1 5 DG H8 2.310 2.190 2.430 2.184 2.184 2.184 0.006 1 0 "[ ]" 2
19 1 4 DG H2' 1 5 DG H8 3.710 3.400 4.030 3.709 3.709 3.709 . 0 0 "[ ]" 2
20 1 5 DG H1' 1 5 DG Q2' 2.350 2.130 2.650 2.246 2.246 2.246 . 0 0 "[ ]" 2
21 1 5 DG H1' 1 5 DG H3' 2.940 . 4.200 3.890 3.890 3.890 . 0 0 "[ ]" 2
22 1 5 DG H1' 1 5 DG H4' 3.400 2.460 4.340 3.360 3.360 3.360 . 0 0 "[ ]" 2
23 1 5 DG H3' 1 5 DG H4' 2.540 2.210 2.870 2.786 2.786 2.786 . 0 0 "[ ]" 2
24 1 5 DG H1' 1 6 DT M7 4.100 3.260 4.940 3.447 3.447 3.447 . 0 0 "[ ]" 2
25 1 6 DT H2' 1 6 DT M7 3.310 2.080 4.540 3.737 3.737 3.737 . 0 0 "[ ]" 2
26 1 6 DT H2'' 1 6 DT H6 2.980 2.270 3.690 3.647 3.647 3.647 . 0 0 "[ ]" 2
27 1 5 DG Q2' 1 6 DT M7 3.320 2.870 3.770 1.932 1.932 1.932 0.938 1 1 [+] 2
28 1 6 DT H4' 1 6 DT H6 3.880 2.790 4.970 4.544 4.544 4.544 . 0 0 "[ ]" 2
29 1 6 DT H2' 1 6 DT H4' 3.340 2.260 4.420 3.867 3.867 3.867 . 0 0 "[ ]" 2
30 1 6 DT Q5' 1 6 DT H6 4.830 3.750 5.910 3.616 3.616 3.616 0.134 1 0 "[ ]" 2
31 1 7 DG Q2' 1 7 DG H8 2.310 2.270 2.500 2.125 2.125 2.125 0.145 1 0 "[ ]" 2
32 1 7 DG H1' 1 7 DG Q2' . 2.290 2.350 2.249 2.249 2.249 0.041 1 0 "[ ]" 2
33 1 7 DG H3' 1 7 DG H8 3.290 2.080 4.500 4.121 4.121 4.121 . 0 0 "[ ]" 2
34 1 6 DT H3' 1 7 DG H8 3.640 2.350 4.930 4.779 4.779 4.779 . 0 0 "[ ]" 2
35 1 7 DG H1' 1 7 DG H3' 2.980 . 3.980 3.876 3.876 3.876 . 0 0 "[ ]" 2
36 1 7 DG H1' 1 8 DT H3' 4.280 2.550 6.000 5.293 5.293 5.293 . 0 0 "[ ]" 2
37 1 7 DG H1' 1 7 DG H4' 3.500 2.570 4.420 3.319 3.319 3.319 . 0 0 "[ ]" 2
38 1 7 DG H1' 1 8 DT M7 4.340 3.550 5.130 3.631 3.631 3.631 . 0 0 "[ ]" 2
39 1 8 DT H1' 1 8 DT M7 6.470 5.590 7.360 5.159 5.159 5.159 0.431 1 0 "[ ]" 2
40 1 7 DG Q2' 1 8 DT M7 3.320 2.960 3.580 1.955 1.955 1.955 1.005 1 1 [+] 2
41 1 7 DG H3' 1 8 DT H6 3.910 2.960 4.860 4.891 4.891 4.891 0.031 1 0 "[ ]" 2
42 1 7 DG H3' 1 8 DT M7 4.170 3.280 5.060 3.967 3.967 3.967 . 0 0 "[ ]" 2
43 1 8 DT H2' 1 8 DT H4' 3.190 . 4.450 3.839 3.839 3.839 . 0 0 "[ ]" 2
44 1 8 DT H1' 1 8 DT Q5' 3.900 2.560 5.230 4.317 4.317 4.317 . 0 0 "[ ]" 2
45 1 9 DC H2' 1 9 DC H6 2.260 2.050 2.480 2.009 2.009 2.009 0.041 1 0 "[ ]" 2
46 1 8 DT H2' 1 9 DC H6 3.710 3.400 4.010 3.931 3.931 3.931 . 0 0 "[ ]" 2
47 1 9 DC H2'' 1 9 DC H6 3.190 2.380 4.000 3.575 3.575 3.575 . 0 0 "[ ]" 2
48 1 8 DT H2'' 1 9 DC H6 2.590 2.300 2.880 2.253 2.253 2.253 0.047 1 0 "[ ]" 2
49 1 10 DC H2' 1 10 DC H6 2.290 2.090 2.480 2.040 2.040 2.040 0.050 1 0 "[ ]" 2
50 1 10 DC H2'' 1 10 DC H6 3.170 2.320 4.020 3.556 3.556 3.556 . 0 0 "[ ]" 2
51 1 10 DC H1' 1 10 DC H2'' 2.120 . 2.250 2.299 2.299 2.299 0.049 1 0 "[ ]" 2
52 1 10 DC H1' 1 11 DG H4' 3.900 2.710 5.090 4.993 4.993 4.993 . 0 0 "[ ]" 2
53 1 11 DG H1' 1 11 DG H4' 3.090 2.270 3.910 3.404 3.404 3.404 . 0 0 "[ ]" 2
54 1 12 DC H1' 1 12 DC H6 3.170 2.270 4.060 3.730 3.730 3.730 . 0 0 "[ ]" 2
55 1 11 DG H1' 1 12 DC H6 3.150 2.550 3.750 3.311 3.311 3.311 . 0 0 "[ ]" 2
56 1 12 DC H1' 1 12 DC H5 5.110 4.370 5.840 5.442 5.442 5.442 . 0 0 "[ ]" 2
57 1 12 DC H2' 1 12 DC H6 2.210 2.060 2.360 2.000 2.000 2.000 0.060 1 0 "[ ]" 2
58 1 11 DG H2' 1 12 DC H6 3.740 3.400 4.070 3.718 3.718 3.718 . 0 0 "[ ]" 2
59 1 11 DG H2' 1 12 DC H5 3.220 2.620 3.820 3.065 3.065 3.065 . 0 0 "[ ]" 2
60 1 11 DG H2'' 1 12 DC H6 2.480 2.290 2.670 2.221 2.221 2.221 0.069 1 0 "[ ]" 2
61 1 11 DG H2'' 1 12 DC H5 2.810 2.270 3.350 2.817 2.817 2.817 . 0 0 "[ ]" 2
62 1 11 DG H3' 1 12 DC H6 4.580 3.890 5.270 4.887 4.887 4.887 . 0 0 "[ ]" 2
63 1 12 DC H1' 1 13 DG H8 3.330 2.620 4.040 3.181 3.181 3.181 . 0 0 "[ ]" 2
64 1 12 DC H2' 1 13 DG H8 3.700 3.400 3.990 3.649 3.649 3.649 . 0 0 "[ ]" 2
65 1 13 DG H3' 1 13 DG H8 3.670 2.440 4.910 4.073 4.073 4.073 . 0 0 "[ ]" 2
66 1 13 DG H2'' 1 13 DG H3' 2.500 2.250 2.750 2.694 2.694 2.694 . 0 0 "[ ]" 2
67 1 13 DG H4' 1 13 DG H8 4.080 3.240 4.920 4.780 4.780 4.780 . 0 0 "[ ]" 2
68 1 13 DG H3' 1 13 DG H4' 2.490 2.150 2.830 2.731 2.731 2.731 . 0 0 "[ ]" 2
69 2 1 DC H2'' 2 1 DC H6 2.710 . 3.550 3.664 3.664 3.664 0.114 1 0 "[ ]" 2
70 2 1 DC H2'' 2 1 DC H3' 2.420 2.100 2.750 2.667 2.667 2.667 . 0 0 "[ ]" 2
71 2 1 DC H1' 2 2 DG H4' 3.860 2.630 5.090 4.836 4.836 4.836 . 0 0 "[ ]" 2
72 2 1 DC H2' 2 1 DC H4' 3.740 2.640 4.830 3.819 3.819 3.819 . 0 0 "[ ]" 2
73 2 1 DC H1' 2 2 DG H8 3.250 2.460 4.040 3.562 3.562 3.562 . 0 0 "[ ]" 2
74 2 1 DC H2' 2 2 DG H8 3.720 3.400 4.040 3.702 3.702 3.702 . 0 0 "[ ]" 2
75 2 1 DC H3' 2 2 DG H8 3.970 3.000 4.940 4.814 4.814 4.814 . 0 0 "[ ]" 2
76 2 2 DG H5' 2 2 DG H8 3.950 3.260 4.640 4.315 4.315 4.315 . 0 0 "[ ]" 2
77 2 2 DG H1' 2 3 DC H6 3.230 2.590 3.870 3.075 3.075 3.075 . 0 0 "[ ]" 2
78 2 3 DC H1' 2 3 DC H5 5.110 4.450 5.760 5.446 5.446 5.446 . 0 0 "[ ]" 2
79 2 3 DC H1' 2 3 DC H2' 2.750 2.270 3.240 3.014 3.014 3.014 . 0 0 "[ ]" 2
80 2 2 DG H2'' 2 3 DC H5 2.760 2.210 3.320 2.795 2.795 2.795 . 0 0 "[ ]" 2
81 2 3 DC H1' 2 3 DC H2'' 2.150 2.030 2.270 2.311 2.311 2.311 0.041 1 0 "[ ]" 2
82 2 3 DC H3' 2 3 DC H6 4.330 3.020 5.630 3.957 3.957 3.957 . 0 0 "[ ]" 2
83 2 2 DG H3' 2 3 DC H6 4.720 3.960 5.480 4.895 4.895 4.895 . 0 0 "[ ]" 2
84 2 3 DC H2'' 2 3 DC H5 4.040 2.380 5.700 5.524 5.524 5.524 . 0 0 "[ ]" 2
85 2 4 DG H2' 2 4 DG H8 2.290 2.050 2.520 2.105 2.105 2.105 . 0 0 "[ ]" 2
86 2 4 DG H2'' 2 4 DG H8 2.960 2.250 3.670 3.679 3.679 3.679 0.009 1 0 "[ ]" 2
87 2 4 DG H3' 2 4 DG H8 3.600 2.590 4.610 3.875 3.875 3.875 . 0 0 "[ ]" 2
88 2 4 DG H1' 2 4 DG H3' 3.250 2.660 3.850 3.927 3.927 3.927 0.077 1 0 "[ ]" 2
89 2 4 DG H2' 2 4 DG H4' 3.960 2.770 5.160 3.903 3.903 3.903 . 0 0 "[ ]" 2
90 2 4 DG H2'' 2 4 DG H4' 4.030 2.920 5.130 3.947 3.947 3.947 . 0 0 "[ ]" 2
91 2 5 DG H2' 2 5 DG H8 2.160 . 2.340 2.036 2.036 2.036 . 0 0 "[ ]" 2
92 2 5 DG H2'' 2 5 DG H8 2.870 2.150 3.590 3.446 3.446 3.446 . 0 0 "[ ]" 2
93 2 5 DG H1' 2 5 DG H2'' 2.110 . 2.260 2.302 2.302 2.302 0.042 1 0 "[ ]" 2
94 2 5 DG H1' 2 5 DG H3' 3.370 2.880 3.850 3.856 3.856 3.856 0.006 1 0 "[ ]" 2
95 2 5 DG H1' 2 5 DG H4' 3.070 2.220 3.920 3.378 3.378 3.378 . 0 0 "[ ]" 2
96 2 5 DG Q5' 2 5 DG H8 4.250 3.520 4.980 4.181 4.181 4.181 . 0 0 "[ ]" 2
97 2 6 DA H2' 2 6 DA H8 2.210 2.040 2.390 2.037 2.037 2.037 0.003 1 0 "[ ]" 2
98 2 5 DG H2' 2 6 DA H8 3.880 3.400 4.370 3.884 3.884 3.884 . 0 0 "[ ]" 2
99 2 5 DG H2'' 2 6 DA H8 2.640 2.300 2.980 2.253 2.253 2.253 0.047 1 0 "[ ]" 2
100 2 6 DA H1' 2 6 DA H4' 3.540 2.720 4.360 3.575 3.575 3.575 . 0 0 "[ ]" 2
101 2 7 DC H1' 2 7 DC H5 5.330 4.630 6.030 5.444 5.444 5.444 . 0 0 "[ ]" 2
102 2 6 DA H2' 2 7 DC H5 2.770 2.290 3.250 3.052 3.052 3.052 . 0 0 "[ ]" 2
103 2 7 DC H1' 2 7 DC H2' 2.820 2.240 3.390 3.007 3.007 3.007 . 0 0 "[ ]" 2
104 2 6 DA H2'' 2 7 DC H5 3.210 2.610 3.810 2.750 2.750 2.750 . 0 0 "[ ]" 2
105 2 7 DC H1' 2 7 DC H2'' 2.260 2.090 2.430 2.302 2.302 2.302 . 0 0 "[ ]" 2
106 2 7 DC H3' 2 7 DC H6 3.620 2.440 4.800 3.887 3.887 3.887 . 0 0 "[ ]" 2
107 2 6 DA H3' 2 7 DC H6 4.030 3.050 5.000 4.836 4.836 4.836 . 0 0 "[ ]" 2
108 2 6 DA H3' 2 7 DC H5 4.420 3.730 5.100 4.960 4.960 4.960 . 0 0 "[ ]" 2
109 2 7 DC H2'' 2 7 DC H3' 2.840 2.370 3.320 2.698 2.698 2.698 . 0 0 "[ ]" 2
110 2 7 DC H4' 2 7 DC H6 3.710 2.670 4.750 4.668 4.668 4.668 . 0 0 "[ ]" 2
111 2 7 DC H1' 2 7 DC Q5' 3.930 2.900 4.970 4.349 4.349 4.349 . 0 0 "[ ]" 2
112 2 8 DA H1' 2 8 DA H4' 3.300 2.440 4.160 3.519 3.519 3.519 . 0 0 "[ ]" 2
113 2 8 DA H5' 2 8 DA H8 3.280 2.810 3.750 3.807 3.807 3.807 0.057 1 0 "[ ]" 2
114 2 8 DA H5'' 2 8 DA H8 4.000 3.230 4.780 4.460 4.460 4.460 . 0 0 "[ ]" 2
115 2 8 DA H1' 2 9 DC H5 3.910 3.060 4.760 4.445 4.445 4.445 . 0 0 "[ ]" 2
116 2 9 DC H1' 2 9 DC H5 5.330 4.710 5.950 5.449 5.449 5.449 . 0 0 "[ ]" 2
117 2 9 DC H2' 2 9 DC H6 2.330 2.140 2.520 2.078 2.078 2.078 0.062 1 0 "[ ]" 2
118 2 8 DA H2' 2 9 DC H5 2.770 2.320 3.220 3.245 3.245 3.245 0.025 1 0 "[ ]" 2
119 2 9 DC H1' 2 9 DC H2' 3.000 2.470 3.530 3.022 3.022 3.022 . 0 0 "[ ]" 2
120 2 9 DC H2'' 2 9 DC H6 3.270 2.340 4.200 3.547 3.547 3.547 . 0 0 "[ ]" 2
121 2 8 DA H2'' 2 9 DC H6 2.550 2.300 2.810 2.238 2.238 2.238 0.062 1 0 "[ ]" 2
122 2 8 DA H2'' 2 9 DC H5 3.120 2.600 3.640 3.429 3.429 3.429 . 0 0 "[ ]" 2
123 2 9 DC H1' 2 9 DC H2'' 2.250 2.080 2.420 2.336 2.336 2.336 . 0 0 "[ ]" 2
124 2 9 DC H3' 2 9 DC H6 3.410 2.270 4.550 4.013 4.013 4.013 . 0 0 "[ ]" 2
125 2 8 DA H3' 2 9 DC H6 4.300 3.570 5.030 4.892 4.892 4.892 . 0 0 "[ ]" 2
126 2 8 DA H3' 2 9 DC H5 4.460 3.230 5.680 5.377 5.377 5.377 . 0 0 "[ ]" 2
127 2 9 DC H2'' 2 9 DC H3' 3.020 2.510 3.530 2.701 2.701 2.701 . 0 0 "[ ]" 2
128 2 10 DC H1' 2 10 DC H6 3.080 2.300 3.860 3.728 3.728 3.728 . 0 0 "[ ]" 2
129 2 10 DC H2' 2 10 DC H6 2.280 2.100 2.460 2.056 2.056 2.056 0.044 1 0 "[ ]" 2
130 2 9 DC H2' 2 10 DC H6 3.640 3.400 3.880 3.852 3.852 3.852 . 0 0 "[ ]" 2
131 2 9 DC H2' 2 10 DC H5 2.760 2.280 3.240 3.146 3.146 3.146 . 0 0 "[ ]" 2
132 2 10 DC H2'' 2 10 DC H6 3.660 2.730 4.590 3.568 3.568 3.568 . 0 0 "[ ]" 2
133 2 9 DC H2'' 2 10 DC H6 2.650 2.300 3.000 2.245 2.245 2.245 0.055 1 0 "[ ]" 2
134 2 10 DC H1' 2 10 DC H2'' 2.060 . 2.180 2.279 2.279 2.279 0.099 1 0 "[ ]" 2
135 2 10 DC H1' 2 11 DG H4' 3.960 2.810 5.100 5.113 5.113 5.113 0.013 1 0 "[ ]" 2
136 2 12 DC H1' 2 12 DC H6 3.170 2.290 4.050 3.730 3.730 3.730 . 0 0 "[ ]" 2
137 2 11 DG H1' 2 12 DC H6 3.170 2.610 3.740 3.521 3.521 3.521 . 0 0 "[ ]" 2
138 2 12 DC H1' 2 12 DC H5 4.820 4.000 5.640 5.444 5.444 5.444 . 0 0 "[ ]" 2
139 2 12 DC H2' 2 12 DC H6 2.210 2.060 2.370 1.982 1.982 1.982 0.078 1 0 "[ ]" 2
140 2 11 DG H2' 2 12 DC H6 3.700 3.400 4.000 3.622 3.622 3.622 . 0 0 "[ ]" 2
141 2 11 DG H2' 2 12 DC H5 3.010 2.330 3.690 2.855 2.855 2.855 . 0 0 "[ ]" 2
142 2 11 DG H2'' 2 12 DC H6 2.500 2.290 2.710 2.202 2.202 2.202 0.088 1 0 "[ ]" 2
143 2 11 DG H2'' 2 12 DC H5 2.860 2.430 3.290 2.793 2.793 2.793 . 0 0 "[ ]" 2
144 2 11 DG H3' 2 12 DC H6 4.700 4.030 5.370 4.804 4.804 4.804 . 0 0 "[ ]" 2
145 2 12 DC H1' 2 13 DG H8 3.330 2.640 4.020 3.198 3.198 3.198 . 0 0 "[ ]" 2
146 2 12 DC H2' 2 13 DG H8 3.690 3.400 3.980 3.692 3.692 3.692 . 0 0 "[ ]" 2
147 2 13 DG H3' 2 13 DG H8 3.700 2.450 4.950 4.068 4.068 4.068 . 0 0 "[ ]" 2
148 2 13 DG H4' 2 13 DG H8 4.080 3.160 5.000 4.767 4.767 4.767 . 0 0 "[ ]" 2
149 2 13 DG H3' 2 13 DG H4' 2.500 2.160 2.840 2.730 2.730 2.730 . 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 18
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.102
_Distance_constraint_stats_list.Viol_max 0.102
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.1020
_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 0.000 0.000 . 0 "[ ]"
1 2 DG 0.000 0.000 . 0 "[ ]"
1 3 DC 0.000 0.000 . 0 "[ ]"
1 6 DT 0.000 0.000 . 0 "[ ]"
1 7 DG 0.000 0.000 . 0 "[ ]"
1 8 DT 0.000 0.000 . 0 "[ ]"
1 9 DC 0.102 0.102 1 0 "[ ]"
1 11 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.000 0.000 . 0 "[ ]"
2 2 DG 0.000 0.000 . 0 "[ ]"
2 11 DG 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 DC H2'' 1 1 DC H5 4.300 2.900 5.700 5.551 5.551 5.551 . 0 0 "[ ]" 3
2 1 2 DG H2' 1 2 DG H8 2.370 2.010 2.720 2.065 2.065 2.065 . 0 0 "[ ]" 3
3 1 2 DG H1' 1 2 DG H2' 3.000 2.230 3.760 2.982 2.982 2.982 . 0 0 "[ ]" 3
4 1 2 DG H1' 1 2 DG H2'' 2.430 . 2.890 2.293 2.293 2.293 . 0 0 "[ ]" 3
5 1 3 DC H1' 1 3 DC H2' 2.810 2.370 3.250 3.003 3.003 3.003 . 0 0 "[ ]" 3
6 1 3 DC H1' 1 3 DC H2'' 2.240 2.080 2.390 2.305 2.305 2.305 . 0 0 "[ ]" 3
7 1 6 DT H1' 1 6 DT Q5' 3.710 2.360 5.050 4.337 4.337 4.337 . 0 0 "[ ]" 3
8 1 7 DG H1' 1 7 DG Q5' 3.790 2.390 5.180 4.325 4.325 4.325 . 0 0 "[ ]" 3
9 1 8 DT Q5' 1 8 DT H6 3.690 2.980 4.400 3.804 3.804 3.804 . 0 0 "[ ]" 3
10 1 9 DC H1' 1 9 DC H4' 2.750 2.040 3.460 3.562 3.562 3.562 0.102 1 0 "[ ]" 3
11 1 11 DG H1' 1 11 DG H2' 2.900 2.270 3.530 2.978 2.978 2.978 . 0 0 "[ ]" 3
12 1 11 DG H1' 1 11 DG H2'' 2.210 . 2.490 2.283 2.283 2.283 . 0 0 "[ ]" 3
13 2 1 DC H2'' 2 1 DC H5 4.270 2.840 5.700 5.550 5.550 5.550 . 0 0 "[ ]" 3
14 2 2 DG H2' 2 2 DG H8 2.400 . 2.800 2.112 2.112 2.112 . 0 0 "[ ]" 3
15 2 2 DG H1' 2 2 DG H2' 2.830 2.200 3.470 2.986 2.986 2.986 . 0 0 "[ ]" 3
16 2 2 DG H1' 2 2 DG H2'' 2.290 . 2.620 2.294 2.294 2.294 . 0 0 "[ ]" 3
17 2 11 DG H1' 2 11 DG H2' 2.960 2.270 3.660 2.972 2.972 2.972 . 0 0 "[ ]" 3
18 2 11 DG H1' 2 11 DG H2'' 2.190 . 2.500 2.275 2.275 2.275 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 133
_Distance_constraint_stats_list.Viol_count 29
_Distance_constraint_stats_list.Viol_total 1.332
_Distance_constraint_stats_list.Viol_max 0.278
_Distance_constraint_stats_list.Viol_rms 0.0327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0459
_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 0.050 0.043 1 0 "[ ]"
1 2 DG 0.073 0.066 1 0 "[ ]"
1 3 DC 0.066 0.066 1 0 "[ ]"
1 4 DG 0.028 0.016 1 0 "[ ]"
1 5 DG 0.294 0.278 1 0 "[ ]"
1 6 DT 0.053 0.034 1 0 "[ ]"
1 7 DG 0.155 0.136 1 0 "[ ]"
1 8 DT 0.010 0.010 1 0 "[ ]"
1 9 DC 0.070 0.069 1 0 "[ ]"
1 10 DC 0.107 0.069 1 0 "[ ]"
1 11 DG 0.073 0.037 1 0 "[ ]"
1 12 DC 0.129 0.114 1 0 "[ ]"
1 13 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.010 0.010 1 0 "[ ]"
2 2 DG 0.098 0.088 1 0 "[ ]"
2 3 DC 0.088 0.088 1 0 "[ ]"
2 4 DG 0.009 0.009 1 0 "[ ]"
2 5 DG 0.007 0.007 1 0 "[ ]"
2 6 DA 0.058 0.058 1 0 "[ ]"
2 7 DC 0.000 0.000 . 0 "[ ]"
2 8 DA 0.024 0.024 1 0 "[ ]"
2 9 DC 0.024 0.024 1 0 "[ ]"
2 10 DC 0.038 0.038 1 0 "[ ]"
2 11 DG 0.098 0.045 1 0 "[ ]"
2 12 DC 0.159 0.114 1 0 "[ ]"
2 13 DG 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 DC H1' 1 1 DC H2' 2.380 . 2.960 3.003 3.003 3.003 0.043 1 0 "[ ]" 4
2 1 1 DC H1' 1 1 DC H2'' 2.480 2.230 2.730 2.311 2.311 2.311 . 0 0 "[ ]" 4
3 1 1 DC H1' 1 1 DC H4' 2.850 2.060 3.640 3.478 3.478 3.478 . 0 0 "[ ]" 4
4 1 1 DC H3' 1 1 DC H4' 2.500 2.140 2.870 2.737 2.737 2.737 . 0 0 "[ ]" 4
5 1 1 DC H2'' 1 2 DG H8 2.760 2.300 3.220 2.293 2.293 2.293 0.007 1 0 "[ ]" 4
6 1 2 DG H1' 1 2 DG H4' 3.000 2.230 3.760 3.332 3.332 3.332 . 0 0 "[ ]" 4
7 1 2 DG H1' 1 2 DG H5' 3.550 2.220 4.880 4.694 4.694 4.694 . 0 0 "[ ]" 4
8 1 2 DG H1' 1 2 DG H5'' 3.860 2.330 5.390 5.050 5.050 5.050 . 0 0 "[ ]" 4
9 1 3 DC H1' 1 3 DC H6 3.010 2.150 3.870 3.724 3.724 3.724 . 0 0 "[ ]" 4
10 1 2 DG H2' 1 3 DC H6 3.670 3.400 3.940 3.848 3.848 3.848 . 0 0 "[ ]" 4
11 1 2 DG H2' 1 3 DC H5 2.910 2.220 3.600 3.025 3.025 3.025 . 0 0 "[ ]" 4
12 1 3 DC H2'' 1 3 DC H6 3.250 2.420 4.080 3.626 3.626 3.626 . 0 0 "[ ]" 4
13 1 2 DG H2'' 1 3 DC H6 2.550 2.300 2.800 2.234 2.234 2.234 0.066 1 0 "[ ]" 4
14 1 3 DC H3' 1 3 DC H6 3.640 2.620 4.660 3.751 3.751 3.751 . 0 0 "[ ]" 4
15 1 3 DC H4' 1 3 DC H6 3.970 2.810 5.140 4.488 4.488 4.488 . 0 0 "[ ]" 4
16 1 3 DC H2' 1 3 DC H5 2.980 . 4.290 4.235 4.235 4.235 . 0 0 "[ ]" 4
17 1 3 DC Q5' 1 3 DC H6 3.860 2.720 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 4
18 1 4 DG H2' 1 4 DG H8 2.390 2.090 2.690 2.077 2.077 2.077 0.013 1 0 "[ ]" 4
19 1 4 DG H1' 1 4 DG H2' 2.980 2.440 3.520 3.022 3.022 3.022 . 0 0 "[ ]" 4
20 1 4 DG H2'' 1 4 DG H8 3.010 2.190 3.840 3.471 3.471 3.471 . 0 0 "[ ]" 4
21 1 4 DG H1' 1 4 DG H2'' 2.340 2.110 2.580 2.339 2.339 2.339 . 0 0 "[ ]" 4
22 1 4 DG H2'' 1 5 DG H8 2.760 2.300 3.220 2.284 2.284 2.284 0.016 1 0 "[ ]" 4
23 1 5 DG Q2' 1 5 DG H3' 2.730 2.460 3.350 2.182 2.182 2.182 0.278 1 0 "[ ]" 4
24 1 6 DT H3' 1 6 DT H6 3.150 . 4.390 3.890 3.890 3.890 . 0 0 "[ ]" 4
25 1 5 DG H3' 1 6 DT H6 3.830 2.680 4.980 4.936 4.936 4.936 . 0 0 "[ ]" 4
26 1 5 DG H3' 1 6 DT M7 3.940 2.750 5.130 3.998 3.998 3.998 . 0 0 "[ ]" 4
27 1 6 DT H3' 1 6 DT M7 6.110 5.380 6.830 5.381 5.381 5.381 . 0 0 "[ ]" 4
28 1 6 DT H2' 1 6 DT H3' 2.330 2.080 2.580 2.307 2.307 2.307 . 0 0 "[ ]" 4
29 1 6 DT H2'' 1 6 DT H3' 2.920 2.440 3.400 2.702 2.702 2.702 . 0 0 "[ ]" 4
30 1 6 DT H2'' 1 6 DT H4' 2.920 . 3.920 3.954 3.954 3.954 0.034 1 0 "[ ]" 4
31 1 6 DT H2'' 1 7 DG H8 2.790 2.290 3.290 2.271 2.271 2.271 0.019 1 0 "[ ]" 4
32 1 7 DG Q2' 1 7 DG H3' 2.400 2.310 2.630 2.174 2.174 2.174 0.136 1 0 "[ ]" 4
33 1 7 DG H3' 1 7 DG H4' 2.480 2.060 2.900 2.796 2.796 2.796 . 0 0 "[ ]" 4
34 1 7 DG Q5' 1 7 DG H8 3.920 2.830 5.010 4.103 4.103 4.103 . 0 0 "[ ]" 4
35 1 8 DT H2' 1 8 DT M7 3.780 2.580 4.980 3.829 3.829 3.829 . 0 0 "[ ]" 4
36 1 8 DT H2'' 1 8 DT H6 3.170 2.250 4.090 3.559 3.559 3.559 . 0 0 "[ ]" 4
37 1 8 DT H3' 1 8 DT H6 3.290 2.150 4.430 4.037 4.037 4.037 . 0 0 "[ ]" 4
38 1 8 DT H2' 1 8 DT H3' 2.770 2.330 3.210 2.320 2.320 2.320 0.010 1 0 "[ ]" 4
39 1 8 DT H2'' 1 8 DT H3' 3.170 2.570 3.770 2.687 2.687 2.687 . 0 0 "[ ]" 4
40 1 8 DT H2'' 1 8 DT H4' 3.140 2.150 4.130 3.990 3.990 3.990 . 0 0 "[ ]" 4
41 1 7 DG H8 1 8 DT H6 5.000 4.600 5.400 4.853 4.853 4.853 . 0 0 "[ ]" 4
42 1 9 DC H1' 1 9 DC H2'' 2.260 2.080 2.440 2.286 2.286 2.286 . 0 0 "[ ]" 4
43 1 9 DC H4' 1 9 DC H6 4.020 2.990 5.040 4.489 4.489 4.489 . 0 0 "[ ]" 4
44 1 9 DC Q5' 1 9 DC H6 3.790 2.600 4.980 3.333 3.333 3.333 . 0 0 "[ ]" 4
45 1 9 DC H2' 1 10 DC H6 3.640 3.400 3.880 3.882 3.882 3.882 0.002 1 0 "[ ]" 4
46 1 10 DC H1' 1 10 DC H2' 2.920 2.410 3.440 3.008 3.008 3.008 . 0 0 "[ ]" 4
47 1 9 DC H2'' 1 10 DC H6 2.820 2.300 3.340 2.231 2.231 2.231 0.069 1 0 "[ ]" 4
48 1 10 DC H4' 1 10 DC H6 4.070 3.230 4.910 4.570 4.570 4.570 . 0 0 "[ ]" 4
49 1 10 DC H2' 1 10 DC H5 3.060 . 4.380 4.254 4.254 4.254 . 0 0 "[ ]" 4
50 1 11 DG H1' 1 11 DG H8 2.920 . 4.000 3.854 3.854 3.854 . 0 0 "[ ]" 4
51 1 10 DC H1' 1 11 DG H8 3.080 2.430 3.740 3.462 3.462 3.462 . 0 0 "[ ]" 4
52 1 10 DC H2' 1 11 DG H8 4.210 3.400 5.030 3.694 3.694 3.694 . 0 0 "[ ]" 4
53 1 10 DC H2'' 1 11 DG H8 2.920 2.300 3.530 2.263 2.263 2.263 0.037 1 0 "[ ]" 4
54 1 11 DG H3' 1 11 DG H8 3.460 2.420 4.500 3.856 3.856 3.856 . 0 0 "[ ]" 4
55 1 11 DG H4' 1 11 DG H8 4.370 3.560 5.180 4.900 4.900 4.900 . 0 0 "[ ]" 4
56 1 11 DG H8 1 12 DC H5 3.470 2.850 4.090 3.978 3.978 3.978 . 0 0 "[ ]" 4
57 1 11 DG H5' 1 11 DG H8 3.690 2.990 4.390 4.327 4.327 4.327 . 0 0 "[ ]" 4
58 1 11 DG H1' 1 11 DG H5' 3.620 2.230 5.010 4.737 4.737 4.737 . 0 0 "[ ]" 4
59 1 11 DG H5'' 1 11 DG H8 3.600 2.620 4.580 4.616 4.616 4.616 0.036 1 0 "[ ]" 4
60 1 11 DG H1' 1 11 DG H5'' 3.920 2.360 5.490 5.074 5.074 5.074 . 0 0 "[ ]" 4
61 1 12 DC H1' 1 12 DC H2' 2.620 2.230 3.000 3.000 3.000 3.000 0.000 1 0 "[ ]" 4
62 1 12 DC H2'' 1 12 DC H6 3.010 2.390 3.630 3.505 3.505 3.505 . 0 0 "[ ]" 4
63 1 12 DC H1' 1 12 DC H2'' 2.060 . 2.160 2.274 2.274 2.274 0.114 1 0 "[ ]" 4
64 1 12 DC H4' 1 12 DC H6 4.250 3.170 5.330 4.642 4.642 4.642 . 0 0 "[ ]" 4
65 1 12 DC H5' 1 12 DC H6 3.350 2.620 4.080 4.070 4.070 4.070 . 0 0 "[ ]" 4
66 1 12 DC H5'' 1 12 DC H6 3.620 3.000 4.240 4.254 4.254 4.254 0.014 1 0 "[ ]" 4
67 1 11 DG H8 1 12 DC H6 5.000 4.600 5.400 5.283 5.283 5.283 . 0 0 "[ ]" 4
68 1 13 DG H2'' 1 13 DG H8 2.910 . 3.910 3.707 3.707 3.707 . 0 0 "[ ]" 4
69 1 13 DG Q5' 1 13 DG H8 3.830 2.560 5.090 3.602 3.602 3.602 . 0 0 "[ ]" 4
70 1 13 DG H3' 1 13 DG Q5' 2.900 2.050 3.750 2.371 2.371 2.371 . 0 0 "[ ]" 4
71 2 1 DC H1' 2 1 DC H2' 2.450 . 3.030 3.016 3.016 3.016 . 0 0 "[ ]" 4
72 2 1 DC H1' 2 1 DC H2'' 2.440 2.210 2.670 2.317 2.317 2.317 . 0 0 "[ ]" 4
73 2 1 DC H1' 2 1 DC H4' 2.890 2.130 3.650 3.490 3.490 3.490 . 0 0 "[ ]" 4
74 2 1 DC H3' 2 1 DC H4' 2.450 2.100 2.800 2.729 2.729 2.729 . 0 0 "[ ]" 4
75 2 1 DC H2'' 2 2 DG H8 2.810 2.290 3.330 2.280 2.280 2.280 0.010 1 0 "[ ]" 4
76 2 2 DG H1' 2 2 DG H4' 3.040 2.230 3.850 3.413 3.413 3.413 . 0 0 "[ ]" 4
77 2 2 DG H1' 2 2 DG H5' 3.570 2.220 4.910 4.724 4.724 4.724 . 0 0 "[ ]" 4
78 2 2 DG H1' 2 2 DG H5'' 3.710 2.340 5.080 5.067 5.067 5.067 . 0 0 "[ ]" 4
79 2 3 DC H1' 2 3 DC H6 2.940 2.130 3.750 3.730 3.730 3.730 . 0 0 "[ ]" 4
80 2 2 DG H2' 2 3 DC H6 3.660 3.400 3.920 3.738 3.738 3.738 . 0 0 "[ ]" 4
81 2 2 DG H2' 2 3 DC H5 2.950 2.220 3.680 3.114 3.114 3.114 . 0 0 "[ ]" 4
82 2 3 DC H2'' 2 3 DC H6 3.420 2.490 4.350 3.543 3.543 3.543 . 0 0 "[ ]" 4
83 2 2 DG H2'' 2 3 DC H6 2.550 2.300 2.810 2.212 2.212 2.212 0.088 1 0 "[ ]" 4
84 2 3 DC H4' 2 3 DC H6 3.950 2.920 4.980 4.601 4.601 4.601 . 0 0 "[ ]" 4
85 2 3 DC H1' 2 3 DC H4' 3.080 2.380 3.770 3.386 3.386 3.386 . 0 0 "[ ]" 4
86 2 3 DC H2' 2 3 DC H5 3.020 . 4.340 4.282 4.282 4.282 . 0 0 "[ ]" 4
87 2 3 DC Q5' 2 3 DC H6 3.960 3.190 4.740 3.666 3.666 3.666 . 0 0 "[ ]" 4
88 2 3 DC H1' 2 3 DC Q5' 3.960 2.650 5.270 4.351 4.351 4.351 . 0 0 "[ ]" 4
89 2 4 DG H1' 2 4 DG H2' 2.830 2.210 3.450 2.966 2.966 2.966 . 0 0 "[ ]" 4
90 2 4 DG H1' 2 4 DG H2'' 2.090 . 2.260 2.269 2.269 2.269 0.009 1 0 "[ ]" 4
91 2 3 DC H6 2 4 DG H8 5.000 4.600 5.400 5.345 5.345 5.345 . 0 0 "[ ]" 4
92 2 5 DG H1' 2 5 DG H8 2.850 . 3.830 3.837 3.837 3.837 0.007 1 0 "[ ]" 4
93 2 4 DG H1' 2 5 DG H8 3.280 2.650 3.910 3.837 3.837 3.837 . 0 0 "[ ]" 4
94 2 5 DG H1' 2 5 DG H2' 2.740 2.220 3.250 3.001 3.001 3.001 . 0 0 "[ ]" 4
95 2 5 DG H3' 2 5 DG H8 3.920 2.960 4.880 4.166 4.166 4.166 . 0 0 "[ ]" 4
96 2 6 DA H2'' 2 6 DA H3' 2.850 2.250 3.450 2.701 2.701 2.701 . 0 0 "[ ]" 4
97 2 6 DA H3' 2 6 DA H4' 2.340 . 2.750 2.739 2.739 2.739 . 0 0 "[ ]" 4
98 2 6 DA H5' 2 6 DA H8 3.190 2.670 3.710 3.768 3.768 3.768 0.058 1 0 "[ ]" 4
99 2 6 DA H5'' 2 6 DA H8 3.650 2.920 4.380 4.292 4.292 4.292 . 0 0 "[ ]" 4
100 2 6 DA H1' 2 7 DC H5 3.670 2.820 4.520 4.001 4.001 4.001 . 0 0 "[ ]" 4
101 2 7 DC H1' 2 7 DC H3' 3.190 2.220 4.160 3.891 3.891 3.891 . 0 0 "[ ]" 4
102 2 7 DC H2' 2 7 DC H3' 2.620 2.270 2.970 2.299 2.299 2.299 . 0 0 "[ ]" 4
103 2 7 DC H3' 2 7 DC Q5' 3.100 2.130 4.070 2.355 2.355 2.355 . 0 0 "[ ]" 4
104 2 8 DA H2'' 2 8 DA H3' 2.460 2.070 2.850 2.708 2.708 2.708 . 0 0 "[ ]" 4
105 2 8 DA H2' 2 8 DA H4' 3.710 2.770 4.650 3.880 3.880 3.880 . 0 0 "[ ]" 4
106 2 8 DA H2' 2 9 DC H6 3.630 3.400 3.870 3.376 3.376 3.376 0.024 1 0 "[ ]" 4
107 2 9 DC H2' 2 9 DC H3' 2.630 2.280 2.990 2.305 2.305 2.305 . 0 0 "[ ]" 4
108 2 9 DC Q5' 2 9 DC H6 4.070 3.280 4.860 3.962 3.962 3.962 . 0 0 "[ ]" 4
109 2 10 DC H1' 2 10 DC H2' 2.710 2.130 3.290 3.000 3.000 3.000 . 0 0 "[ ]" 4
110 2 9 DC H2'' 2 10 DC H5 2.710 2.210 3.210 2.674 2.674 2.674 . 0 0 "[ ]" 4
111 2 10 DC H4' 2 10 DC H6 4.210 3.330 5.090 4.558 4.558 4.558 . 0 0 "[ ]" 4
112 2 11 DG H1' 2 11 DG H8 2.910 . 3.950 3.853 3.853 3.853 . 0 0 "[ ]" 4
113 2 10 DC H1' 2 11 DG H8 3.190 2.610 3.770 3.416 3.416 3.416 . 0 0 "[ ]" 4
114 2 10 DC H2' 2 11 DG H8 4.140 3.400 4.890 3.730 3.730 3.730 . 0 0 "[ ]" 4
115 2 10 DC H2'' 2 11 DG H8 2.950 2.300 3.600 2.262 2.262 2.262 0.038 1 0 "[ ]" 4
116 2 11 DG H3' 2 11 DG H8 3.480 2.500 4.460 3.806 3.806 3.806 . 0 0 "[ ]" 4
117 2 11 DG H4' 2 11 DG H8 4.300 3.360 5.240 4.858 4.858 4.858 . 0 0 "[ ]" 4
118 2 11 DG H1' 2 11 DG H4' 3.100 2.270 3.930 3.424 3.424 3.424 . 0 0 "[ ]" 4
119 2 11 DG H8 2 12 DC H5 3.270 2.690 3.850 3.865 3.865 3.865 0.015 1 0 "[ ]" 4
120 2 11 DG H5' 2 11 DG H8 3.780 3.010 4.550 4.240 4.240 4.240 . 0 0 "[ ]" 4
121 2 11 DG H1' 2 11 DG H5' 3.550 2.120 4.980 4.729 4.729 4.729 . 0 0 "[ ]" 4
122 2 11 DG H5'' 2 11 DG H8 3.590 2.680 4.510 4.555 4.555 4.555 0.045 1 0 "[ ]" 4
123 2 11 DG H1' 2 11 DG H5'' 3.730 2.340 5.120 5.083 5.083 5.083 . 0 0 "[ ]" 4
124 2 12 DC H1' 2 12 DC H2' 2.830 2.280 3.370 3.000 3.000 3.000 . 0 0 "[ ]" 4
125 2 12 DC H2'' 2 12 DC H6 3.030 2.330 3.720 3.487 3.487 3.487 . 0 0 "[ ]" 4
126 2 12 DC H1' 2 12 DC H2'' 2.060 . 2.160 2.274 2.274 2.274 0.114 1 0 "[ ]" 4
127 2 12 DC H4' 2 12 DC H6 4.310 3.210 5.410 4.661 4.661 4.661 . 0 0 "[ ]" 4
128 2 12 DC H5' 2 12 DC H6 3.460 2.790 4.130 4.133 4.133 4.133 0.003 1 0 "[ ]" 4
129 2 12 DC H5'' 2 12 DC H6 3.620 3.040 4.200 4.227 4.227 4.227 0.027 1 0 "[ ]" 4
130 2 11 DG H8 2 12 DC H6 5.000 4.600 5.400 5.289 5.289 5.289 . 0 0 "[ ]" 4
131 2 13 DG H2'' 2 13 DG H8 2.870 . 3.830 3.716 3.716 3.716 . 0 0 "[ ]" 4
132 2 13 DG Q5' 2 13 DG H8 4.030 2.800 5.250 3.588 3.588 3.588 . 0 0 "[ ]" 4
133 2 13 DG H3' 2 13 DG Q5' 2.870 2.030 3.710 2.364 2.364 2.364 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.581
_Distance_constraint_stats_list.Viol_max 0.385
_Distance_constraint_stats_list.Viol_rms 0.0560
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0726
_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 DG 0.000 0.000 . 0 "[ ]"
1 3 DC 0.021 0.021 1 0 "[ ]"
1 4 DG 0.004 0.004 1 0 "[ ]"
1 5 DG 0.004 0.004 1 0 "[ ]"
1 6 DT 0.000 0.000 . 0 "[ ]"
1 7 DG 0.000 0.000 . 0 "[ ]"
1 8 DT 0.020 0.015 1 0 "[ ]"
1 9 DC 0.027 0.015 1 0 "[ ]"
1 10 DC 0.012 0.012 1 0 "[ ]"
1 11 DG 0.000 0.000 . 0 "[ ]"
1 12 DC 0.000 0.000 . 0 "[ ]"
1 13 DG 0.000 0.000 . 0 "[ ]"
2 2 DG 0.000 0.000 . 0 "[ ]"
2 3 DC 0.053 0.053 1 0 "[ ]"
2 4 DG 0.086 0.086 1 0 "[ ]"
2 5 DG 0.000 0.000 . 0 "[ ]"
2 7 DC 0.000 0.000 . 0 "[ ]"
2 8 DA 0.000 0.000 . 0 "[ ]"
2 9 DC 0.000 0.000 . 0 "[ ]"
2 10 DC 0.385 0.385 1 0 "[ ]"
2 11 DG 0.000 0.000 . 0 "[ ]"
2 12 DC 0.000 0.000 . 0 "[ ]"
2 13 DG 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 2 DG H2'' 1 2 DG H8 3.000 2.150 3.850 3.578 3.578 3.578 . 0 0 "[ ]" 5
2 1 2 DG H1' 1 3 DC H4' 3.720 2.340 5.100 4.587 4.587 4.587 . 0 0 "[ ]" 5
3 1 3 DC H2' 1 3 DC H6 2.230 2.090 2.370 2.069 2.069 2.069 0.021 1 0 "[ ]" 5
4 1 3 DC H1' 1 3 DC H4' 2.830 2.160 3.500 3.429 3.429 3.429 . 0 0 "[ ]" 5
5 1 5 DG H1' 1 5 DG H8 3.060 2.120 4.000 3.877 3.877 3.877 . 0 0 "[ ]" 5
6 1 4 DG H8 1 5 DG H8 5.000 4.600 5.400 4.596 4.596 4.596 0.004 1 0 "[ ]" 5
7 1 5 DG H1' 1 5 DG Q5' 3.760 2.560 4.970 4.330 4.330 4.330 . 0 0 "[ ]" 5
8 1 5 DG H3' 1 5 DG Q5' 2.830 2.080 3.580 2.404 2.404 2.404 . 0 0 "[ ]" 5
9 1 6 DT H1' 1 6 DT H4' 2.730 . 3.530 3.338 3.338 3.338 . 0 0 "[ ]" 5
10 1 7 DG H1' 1 8 DT H4' 3.770 2.450 5.090 4.270 4.270 4.270 . 0 0 "[ ]" 5
11 1 8 DT H3' 1 8 DT H4' 2.370 . 2.770 2.775 2.775 2.775 0.005 1 0 "[ ]" 5
12 1 8 DT H2'' 1 9 DC H5 2.880 2.380 3.380 2.365 2.365 2.365 0.015 1 0 "[ ]" 5
13 1 9 DC H3' 1 9 DC H6 4.280 3.100 5.450 3.756 3.756 3.756 . 0 0 "[ ]" 5
14 1 9 DC H2' 1 9 DC H5 3.130 . 4.360 4.220 4.220 4.220 . 0 0 "[ ]" 5
15 1 9 DC H2'' 1 9 DC H5 3.960 2.210 5.710 5.577 5.577 5.577 . 0 0 "[ ]" 5
16 1 9 DC H2' 1 10 DC H5 2.730 2.250 3.210 3.020 3.020 3.020 . 0 0 "[ ]" 5
17 1 9 DC H2'' 1 10 DC H5 3.080 2.320 3.830 2.462 2.462 2.462 . 0 0 "[ ]" 5
18 1 10 DC H3' 1 10 DC H6 3.790 2.730 4.850 3.939 3.939 3.939 . 0 0 "[ ]" 5
19 1 10 DC H2'' 1 10 DC H5 4.040 2.390 5.700 5.508 5.508 5.508 . 0 0 "[ ]" 5
20 1 9 DC H6 1 10 DC H6 5.000 4.600 5.400 5.412 5.412 5.412 0.012 1 0 "[ ]" 5
21 1 10 DC Q5' 1 10 DC H6 4.090 3.490 4.690 3.561 3.561 3.561 . 0 0 "[ ]" 5
22 1 11 DG H2' 1 11 DG H8 2.170 . 2.400 2.123 2.123 2.123 . 0 0 "[ ]" 5
23 1 11 DG H2'' 1 11 DG H8 2.920 2.150 3.690 3.686 3.686 3.686 . 0 0 "[ ]" 5
24 1 11 DG H1' 1 12 DC H4' 3.670 2.250 5.090 4.372 4.372 4.372 . 0 0 "[ ]" 5
25 1 12 DC H1' 1 12 DC H4' 2.920 2.210 3.630 3.411 3.411 3.411 . 0 0 "[ ]" 5
26 1 13 DG H2' 1 13 DG H8 2.120 . 2.290 2.169 2.169 2.169 . 0 0 "[ ]" 5
27 1 13 DG H1' 1 13 DG H4' 3.130 2.270 4.000 3.550 3.550 3.550 . 0 0 "[ ]" 5
28 1 13 DG H1' 1 13 DG Q5' 4.000 3.220 4.790 4.341 4.341 4.341 . 0 0 "[ ]" 5
29 2 2 DG H2'' 2 2 DG H8 3.020 2.160 3.880 3.654 3.654 3.654 . 0 0 "[ ]" 5
30 2 2 DG H1' 2 3 DC H4' 3.770 2.450 5.090 4.353 4.353 4.353 . 0 0 "[ ]" 5
31 2 3 DC H2' 2 3 DC H6 2.220 2.090 2.360 2.037 2.037 2.037 0.053 1 0 "[ ]" 5
32 2 4 DG H3' 2 4 DG H4' 2.270 . 2.650 2.736 2.736 2.736 0.086 1 0 "[ ]" 5
33 2 4 DG H5' 2 4 DG H8 3.680 2.920 4.440 4.067 4.067 4.067 . 0 0 "[ ]" 5
34 2 4 DG H8 2 5 DG H8 5.000 4.600 5.400 4.878 4.878 4.878 . 0 0 "[ ]" 5
35 2 7 DC Q5' 2 7 DC H6 4.110 3.260 4.960 3.693 3.693 3.693 . 0 0 "[ ]" 5
36 1 7 DG H1' 2 8 DA H2 4.330 3.370 5.290 4.323 4.323 4.323 . 0 0 "[ ]" 5
37 2 9 DC H4' 2 9 DC H6 3.640 2.530 4.750 4.745 4.745 4.745 . 0 0 "[ ]" 5
38 2 9 DC H1' 2 9 DC H4' 2.900 2.190 3.610 3.217 3.217 3.217 . 0 0 "[ ]" 5
39 2 9 DC H3' 2 9 DC Q5' 2.880 2.070 3.700 2.397 2.397 2.397 . 0 0 "[ ]" 5
40 2 9 DC H3' 2 10 DC H6 4.710 3.830 5.590 4.834 4.834 4.834 . 0 0 "[ ]" 5
41 2 9 DC H3' 2 10 DC H5 3.770 2.330 5.210 5.072 5.072 5.072 . 0 0 "[ ]" 5
42 2 9 DC H6 2 10 DC H6 5.000 4.600 5.400 5.194 5.194 5.194 . 0 0 "[ ]" 5
43 2 10 DC Q5' 2 10 DC H6 4.640 3.940 5.350 3.555 3.555 3.555 0.385 1 0 "[ ]" 5
44 2 11 DG H2' 2 11 DG H8 2.170 . 2.400 2.137 2.137 2.137 . 0 0 "[ ]" 5
45 2 11 DG H2'' 2 11 DG H8 2.920 2.090 3.750 3.712 3.712 3.712 . 0 0 "[ ]" 5
46 2 11 DG H1' 2 12 DC H4' 3.690 2.280 5.100 4.480 4.480 4.480 . 0 0 "[ ]" 5
47 2 12 DC H1' 2 12 DC H4' 2.930 2.190 3.670 3.420 3.420 3.420 . 0 0 "[ ]" 5
48 2 13 DG H2' 2 13 DG H8 2.110 . 2.250 2.174 2.174 2.174 . 0 0 "[ ]" 5
49 2 13 DG H1' 2 13 DG H4' 3.050 2.240 3.860 3.560 3.560 3.560 . 0 0 "[ ]" 5
50 2 13 DG H1' 2 13 DG Q5' 4.030 3.220 4.830 4.351 4.351 4.351 . 0 0 "[ ]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 85
_Distance_constraint_stats_list.Viol_count 29
_Distance_constraint_stats_list.Viol_total 0.252
_Distance_constraint_stats_list.Viol_max 0.020
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0087
_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 0.029 0.018 1 0 "[ ]"
1 2 DG 0.012 0.012 1 0 "[ ]"
1 3 DC 0.014 0.011 1 0 "[ ]"
1 4 DG 0.031 0.011 1 0 "[ ]"
1 5 DG 0.035 0.020 1 0 "[ ]"
1 6 DT 0.008 0.006 1 0 "[ ]"
1 7 DG 0.021 0.019 1 0 "[ ]"
1 8 DT 0.009 0.009 1 0 "[ ]"
1 9 DC 0.017 0.016 1 0 "[ ]"
1 10 DC 0.018 0.018 1 0 "[ ]"
1 11 DG 0.016 0.012 1 0 "[ ]"
1 12 DC 0.010 0.010 1 0 "[ ]"
1 13 DG 0.032 0.020 1 0 "[ ]"
2 1 DC 0.032 0.020 1 0 "[ ]"
2 2 DG 0.010 0.010 1 0 "[ ]"
2 3 DC 0.016 0.012 1 0 "[ ]"
2 4 DG 0.018 0.018 1 0 "[ ]"
2 5 DG 0.017 0.016 1 0 "[ ]"
2 6 DA 0.009 0.009 1 0 "[ ]"
2 7 DC 0.021 0.019 1 0 "[ ]"
2 8 DA 0.008 0.006 1 0 "[ ]"
2 9 DC 0.035 0.020 1 0 "[ ]"
2 10 DC 0.031 0.011 1 0 "[ ]"
2 11 DG 0.014 0.011 1 0 "[ ]"
2 12 DC 0.012 0.012 1 0 "[ ]"
2 13 DG 0.029 0.018 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DC N4 2 13 DG O6 2.910 2.860 2.960 2.855 2.855 2.855 0.005 1 0 "[ ]" 6
2 1 1 DC H41 2 13 DG O6 1.900 . 1.950 1.953 1.953 1.953 0.003 1 0 "[ ]" 6
3 1 1 DC N3 2 13 DG N1 2.950 2.900 3.000 2.921 2.921 2.921 . 0 0 "[ ]" 6
4 1 1 DC O2 2 13 DG N2 2.860 2.810 2.910 2.914 2.914 2.914 0.004 1 0 "[ ]" 6
5 1 1 DC O2 2 13 DG H21 1.900 . 1.950 1.928 1.928 1.928 . 0 0 "[ ]" 6
6 1 1 DC N3 2 13 DG N2 3.650 3.600 3.700 3.660 3.660 3.660 . 0 0 "[ ]" 6
7 1 1 DC O2 2 13 DG O6 5.420 5.370 5.470 5.352 5.352 5.352 0.018 1 0 "[ ]" 6
8 1 2 DG O6 2 12 DC N4 2.910 2.860 2.960 2.922 2.922 2.922 . 0 0 "[ ]" 6
9 1 2 DG O6 2 12 DC H41 1.900 . 1.950 1.912 1.912 1.912 . 0 0 "[ ]" 6
10 1 2 DG N1 2 12 DC N3 2.950 2.900 3.000 2.957 2.957 2.957 . 0 0 "[ ]" 6
11 1 2 DG N2 2 12 DC O2 2.860 2.810 2.910 2.881 2.881 2.881 . 0 0 "[ ]" 6
12 1 2 DG H21 2 12 DC O2 1.900 . 1.950 1.877 1.877 1.877 . 0 0 "[ ]" 6
13 1 2 DG N2 2 12 DC N3 3.650 3.600 3.700 3.680 3.680 3.680 . 0 0 "[ ]" 6
14 1 2 DG O6 2 12 DC O2 5.420 5.370 5.470 5.358 5.358 5.358 0.012 1 0 "[ ]" 6
15 1 3 DC N4 2 11 DG O6 2.910 2.860 2.960 2.858 2.858 2.858 0.002 1 0 "[ ]" 6
16 1 3 DC H41 2 11 DG O6 1.900 . 1.950 1.857 1.857 1.857 . 0 0 "[ ]" 6
17 1 3 DC N3 2 11 DG N1 2.950 2.900 3.000 2.919 2.919 2.919 . 0 0 "[ ]" 6
18 1 3 DC O2 2 11 DG N2 2.860 2.810 2.910 2.863 2.863 2.863 . 0 0 "[ ]" 6
19 1 3 DC O2 2 11 DG H21 1.900 . 1.950 1.857 1.857 1.857 . 0 0 "[ ]" 6
20 1 3 DC N3 2 11 DG N2 3.650 3.600 3.700 3.648 3.648 3.648 . 0 0 "[ ]" 6
21 1 3 DC O2 2 11 DG O6 5.420 5.370 5.470 5.359 5.359 5.359 0.011 1 0 "[ ]" 6
22 1 4 DG O6 2 10 DC N4 2.910 2.860 2.960 2.850 2.850 2.850 0.010 1 0 "[ ]" 6
23 1 4 DG O6 2 10 DC H41 1.900 . 1.950 1.914 1.914 1.914 . 0 0 "[ ]" 6
24 1 4 DG N1 2 10 DC N3 2.950 2.900 3.000 2.913 2.913 2.913 . 0 0 "[ ]" 6
25 1 4 DG N2 2 10 DC O2 2.860 2.810 2.910 2.920 2.920 2.920 0.010 1 0 "[ ]" 6
26 1 4 DG H21 2 10 DC O2 1.900 . 1.950 1.926 1.926 1.926 . 0 0 "[ ]" 6
27 1 4 DG N2 2 10 DC N3 3.650 3.600 3.700 3.641 3.641 3.641 . 0 0 "[ ]" 6
28 1 4 DG O6 2 10 DC O2 5.420 5.370 5.470 5.359 5.359 5.359 0.011 1 0 "[ ]" 6
29 1 5 DG O6 2 9 DC N4 2.910 2.860 2.960 2.942 2.942 2.942 . 0 0 "[ ]" 6
30 1 5 DG O6 2 9 DC H41 1.900 . 1.950 1.954 1.954 1.954 0.004 1 0 "[ ]" 6
31 1 5 DG N1 2 9 DC N3 2.950 2.900 3.000 2.973 2.973 2.973 . 0 0 "[ ]" 6
32 1 5 DG N2 2 9 DC O2 2.860 2.810 2.910 2.919 2.919 2.919 0.009 1 0 "[ ]" 6
33 1 5 DG H21 2 9 DC O2 1.900 . 1.950 1.915 1.915 1.915 . 0 0 "[ ]" 6
34 1 5 DG N2 2 9 DC N3 3.650 3.600 3.700 3.701 3.701 3.701 0.001 1 0 "[ ]" 6
35 1 5 DG O6 2 9 DC O2 5.420 5.370 5.470 5.350 5.350 5.350 0.020 1 0 "[ ]" 6
36 1 6 DT O4 2 8 DA N6 2.950 2.900 3.000 2.894 2.894 2.894 0.006 1 0 "[ ]" 6
37 1 6 DT N3 2 8 DA N1 2.820 2.770 2.870 2.837 2.837 2.837 . 0 0 "[ ]" 6
38 1 6 DT O4 2 8 DA N1 3.630 3.580 3.680 3.578 3.578 3.578 0.002 1 0 "[ ]" 6
39 1 6 DT O2 2 8 DA N6 5.400 5.350 5.450 5.379 5.379 5.379 . 0 0 "[ ]" 6
40 1 7 DG O6 2 7 DC N4 2.910 2.860 2.960 2.950 2.950 2.950 . 0 0 "[ ]" 6
41 1 7 DG O6 2 7 DC H41 1.900 . 1.950 1.953 1.953 1.953 0.003 1 0 "[ ]" 6
42 1 7 DG N1 2 7 DC N3 2.950 2.900 3.000 2.957 2.957 2.957 . 0 0 "[ ]" 6
43 1 7 DG N2 2 7 DC O2 2.860 2.810 2.910 2.910 2.910 2.910 . 1 0 "[ ]" 6
44 1 7 DG H21 2 7 DC O2 1.900 . 1.950 1.903 1.903 1.903 . 0 0 "[ ]" 6
45 1 7 DG N2 2 7 DC N3 3.650 3.600 3.700 3.674 3.674 3.674 . 0 0 "[ ]" 6
46 1 7 DG O6 2 7 DC O2 5.420 5.370 5.470 5.351 5.351 5.351 0.019 1 0 "[ ]" 6
47 1 8 DT O4 2 6 DA N6 2.950 2.900 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 6
48 1 8 DT N3 2 6 DA N1 2.820 2.770 2.870 2.869 2.869 2.869 . 0 0 "[ ]" 6
49 1 8 DT O4 2 6 DA N1 3.630 3.580 3.680 3.601 3.601 3.601 . 0 0 "[ ]" 6
50 1 8 DT O2 2 6 DA N6 5.400 5.350 5.450 5.459 5.459 5.459 0.009 1 0 "[ ]" 6
51 1 9 DC N4 2 5 DG O6 2.910 2.860 2.960 2.884 2.884 2.884 . 0 0 "[ ]" 6
52 1 9 DC H41 2 5 DG O6 1.900 . 1.950 1.951 1.951 1.951 0.001 1 0 "[ ]" 6
53 1 9 DC N3 2 5 DG N1 2.950 2.900 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 6
54 1 9 DC O2 2 5 DG N2 2.860 2.810 2.910 2.884 2.884 2.884 . 0 0 "[ ]" 6
55 1 9 DC O2 2 5 DG H21 1.900 . 1.950 1.890 1.890 1.890 . 0 0 "[ ]" 6
56 1 9 DC N3 2 5 DG N2 3.650 3.600 3.700 3.669 3.669 3.669 . 0 0 "[ ]" 6
57 1 9 DC O2 2 5 DG O6 5.420 5.370 5.470 5.354 5.354 5.354 0.016 1 0 "[ ]" 6
58 1 10 DC N4 2 4 DG O6 2.910 2.860 2.960 2.883 2.883 2.883 . 0 0 "[ ]" 6
59 1 10 DC H41 2 4 DG O6 1.900 . 1.950 1.943 1.943 1.943 . 0 0 "[ ]" 6
60 1 10 DC N3 2 4 DG N1 2.950 2.900 3.000 2.917 2.917 2.917 . 0 0 "[ ]" 6
61 1 10 DC O2 2 4 DG N2 2.860 2.810 2.910 2.891 2.891 2.891 . 0 0 "[ ]" 6
62 1 10 DC O2 2 4 DG H21 1.900 . 1.950 1.894 1.894 1.894 . 0 0 "[ ]" 6
63 1 10 DC N3 2 4 DG N2 3.650 3.600 3.700 3.640 3.640 3.640 . 0 0 "[ ]" 6
64 1 10 DC O2 2 4 DG O6 5.420 5.370 5.470 5.352 5.352 5.352 0.018 1 0 "[ ]" 6
65 1 11 DG O6 2 3 DC N4 2.910 2.860 2.960 2.856 2.856 2.856 0.004 1 0 "[ ]" 6
66 1 11 DG O6 2 3 DC H41 1.900 . 1.950 1.860 1.860 1.860 . 0 0 "[ ]" 6
67 1 11 DG N1 2 3 DC N3 2.950 2.900 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 6
68 1 11 DG N2 2 3 DC O2 2.860 2.810 2.910 2.906 2.906 2.906 . 0 0 "[ ]" 6
69 1 11 DG H21 2 3 DC O2 1.900 . 1.950 1.899 1.899 1.899 . 0 0 "[ ]" 6
70 1 11 DG N2 2 3 DC N3 3.650 3.600 3.700 3.677 3.677 3.677 . 0 0 "[ ]" 6
71 1 11 DG O6 2 3 DC O2 5.420 5.370 5.470 5.358 5.358 5.358 0.012 1 0 "[ ]" 6
72 1 12 DC N4 2 2 DG O6 2.910 2.860 2.960 2.901 2.901 2.901 . 0 0 "[ ]" 6
73 1 12 DC H41 2 2 DG O6 1.900 . 1.950 1.893 1.893 1.893 . 0 0 "[ ]" 6
74 1 12 DC N3 2 2 DG N1 2.950 2.900 3.000 2.956 2.956 2.956 . 0 0 "[ ]" 6
75 1 12 DC O2 2 2 DG N2 2.860 2.810 2.910 2.906 2.906 2.906 . 0 0 "[ ]" 6
76 1 12 DC O2 2 2 DG H21 1.900 . 1.950 1.900 1.900 1.900 . 0 0 "[ ]" 6
77 1 12 DC N3 2 2 DG N2 3.650 3.600 3.700 3.686 3.686 3.686 . 0 0 "[ ]" 6
78 1 12 DC O2 2 2 DG O6 5.420 5.370 5.470 5.360 5.360 5.360 0.010 1 0 "[ ]" 6
79 1 13 DG O6 2 1 DC N4 2.910 2.860 2.960 2.855 2.855 2.855 0.005 1 0 "[ ]" 6
80 1 13 DG O6 2 1 DC H41 1.900 . 1.950 1.940 1.940 1.940 . 0 0 "[ ]" 6
81 1 13 DG N1 2 1 DC N3 2.950 2.900 3.000 2.936 2.936 2.936 . 0 0 "[ ]" 6
82 1 13 DG N2 2 1 DC O2 2.860 2.810 2.910 2.917 2.917 2.917 0.007 1 0 "[ ]" 6
83 1 13 DG H21 2 1 DC O2 1.900 . 1.950 1.918 1.918 1.918 . 0 0 "[ ]" 6
84 1 13 DG N2 2 1 DC N3 3.650 3.600 3.700 3.685 3.685 3.685 . 0 0 "[ ]" 6
85 1 13 DG O6 2 1 DC O2 5.420 5.370 5.470 5.350 5.350 5.350 0.020 1 0 "[ ]" 6
stop_
save_
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