NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
546526 |
2lib   |
17887 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lib
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 224
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 22.493
_Distance_constraint_stats_list.Viol_max 1.570
_Distance_constraint_stats_list.Viol_rms 0.2505
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1004
_Distance_constraint_stats_list.Viol_average_violations_only 0.3749
_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 4.061 1.570 1 1 [+]
1 2 DT 2.941 0.863 1 1 [+]
1 3 DC 1.180 0.788 1 1 [+]
1 4 DC 0.018 0.018 1 0 "[ ]"
1 5 A3A 0.054 0.050 1 0 "[ ]"
1 6 DG 2.041 1.052 1 1 [+]
1 7 DG 1.133 1.052 1 1 [+]
1 8 DA 2.214 0.869 1 1 [+]
1 9 DC 4.032 1.118 1 1 [+]
1 10 DG 1.354 0.593 1 1 [+]
2 1 DC 0.404 0.161 1 0 "[ ]"
2 2 DG 3.436 0.943 1 1 [+]
2 3 DT 3.243 0.943 1 1 [+]
2 4 DC 2.883 0.852 1 1 [+]
2 5 DC 2.240 0.666 1 1 [+]
2 6 DT 1.670 0.666 1 1 [+]
2 7 DG 0.344 0.144 1 0 "[ ]"
2 8 DG 0.114 0.114 1 0 "[ ]"
2 9 DA 0.000 0.000 . 0 "[ ]"
2 10 DC 0.164 0.164 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 Q2' 1 1 DG H8 . 4.660 5.030 3.090 3.090 3.090 1.570 1 1 [+] 1
2 1 1 DG H8 1 2 DT H6 6.230 4.890 8.230 5.424 5.424 5.424 . 0 0 "[ ]" 1
3 1 1 DG Q2' 1 2 DT H6 3.170 2.890 4.940 2.435 2.435 2.435 0.455 1 0 "[ ]" 1
4 1 2 DT H1' 1 2 DT H6 3.840 3.400 5.840 3.749 3.749 3.749 . 0 0 "[ ]" 1
5 1 1 DG H8 1 2 DT M7 4.630 4.350 6.630 3.571 3.571 3.571 0.779 1 1 [+] 1
6 1 1 DG Q2' 1 2 DT M7 3.760 3.530 5.760 2.667 2.667 2.667 0.863 1 1 [+] 1
7 1 2 DT H1' 1 2 DT H3' 4.630 3.730 6.630 3.906 3.906 3.906 . 0 0 "[ ]" 1
8 1 2 DT H3' 1 2 DT H6 4.200 3.370 6.200 3.598 3.598 3.598 . 0 0 "[ ]" 1
9 1 2 DT H1' 1 2 DT H2' 3.150 2.720 5.150 3.005 3.005 3.005 . 0 0 "[ ]" 1
10 1 2 DT H2' 1 2 DT H3' 2.350 2.160 4.350 2.250 2.250 2.250 . 0 0 "[ ]" 1
11 1 2 DT H2'' 1 2 DT H6 3.840 2.850 5.840 3.860 3.860 3.860 . 0 0 "[ ]" 1
12 1 2 DT H2'' 1 2 DT H3' 2.910 2.650 4.910 2.875 2.875 2.875 . 0 0 "[ ]" 1
13 1 2 DT H1' 1 3 DC H6 4.440 3.660 6.440 4.184 4.184 4.184 . 0 0 "[ ]" 1
14 1 5 A3A H3' 1 5 A3A H8A 4.430 3.810 6.430 3.968 3.968 3.968 . 0 0 "[ ]" 1
15 1 5 A3A H2' 1 5 A3A H8A 4.530 3.510 6.530 4.262 4.262 4.262 . 0 0 "[ ]" 1
16 1 5 A3A H2'' 1 5 A3A H8A 4.020 3.350 6.020 3.347 3.347 3.347 0.003 1 0 "[ ]" 1
17 1 5 A3A H2'' 1 5 A3A H3' 2.730 2.420 4.730 2.749 2.749 2.749 . 0 0 "[ ]" 1
18 1 5 A3A H8A 1 6 DG H4' 5.230 4.050 7.230 4.552 4.552 4.552 . 0 0 "[ ]" 1
19 1 6 DG H1' 1 6 DG H4' 3.300 3.080 5.300 3.340 3.340 3.340 . 0 0 "[ ]" 1
20 1 5 A3A H8A 1 6 DG H8 3.990 3.680 5.990 4.025 4.025 4.025 . 0 0 "[ ]" 1
21 1 5 A3A H3' 1 6 DG H8 5.310 4.040 7.310 4.991 4.991 4.991 . 0 0 "[ ]" 1
22 1 5 A3A H2' 1 6 DG H8 4.660 3.170 6.660 4.459 4.459 4.459 . 0 0 "[ ]" 1
23 1 5 A3A H2'' 1 6 DG H8 2.980 2.760 4.980 2.710 2.710 2.710 0.050 1 0 "[ ]" 1
24 1 6 DG H4' 1 6 DG H8 5.300 4.380 7.300 4.633 4.633 4.633 . 0 0 "[ ]" 1
25 1 6 DG H1' 1 6 DG H8 4.720 3.650 6.720 3.862 3.862 3.862 . 0 0 "[ ]" 1
26 1 6 DG H3' 1 6 DG H8 5.280 3.960 7.280 4.141 4.141 4.141 . 0 0 "[ ]" 1
27 1 6 DG Q2' 1 6 DG H4' 4.200 3.380 6.200 3.504 3.504 3.504 . 0 0 "[ ]" 1
28 1 6 DG Q2' 1 6 DG H8 . 2.910 4.470 2.305 2.305 2.305 0.605 1 1 [+] 1
29 1 6 DG Q2' 1 6 DG H3' . 2.540 4.410 2.219 2.219 2.219 0.321 1 0 "[ ]" 1
30 1 6 DG H1' 1 6 DG Q2' 2.290 2.150 4.290 2.243 2.243 2.243 . 0 0 "[ ]" 1
31 1 6 DG H1' 1 7 DG H8 4.940 4.070 6.940 4.057 4.057 4.057 0.013 1 0 "[ ]" 1
32 1 6 DG H8 1 7 DG H8 6.090 4.720 8.090 4.968 4.968 4.968 . 0 0 "[ ]" 1
33 1 6 DG H3' 1 7 DG H8 5.280 3.990 7.280 5.059 5.059 5.059 . 0 0 "[ ]" 1
34 1 6 DG Q2' 1 7 DG H8 4.390 3.530 6.390 2.478 2.478 2.478 1.052 1 1 [+] 1
35 1 7 DG H3' 1 7 DG H8 5.500 3.990 7.500 4.596 4.596 4.596 . 0 0 "[ ]" 1
36 1 7 DG H2' 1 7 DG H8 2.470 2.300 4.470 2.294 2.294 2.294 0.006 1 0 "[ ]" 1
37 1 7 DG H8 1 8 DA H8 6.130 4.660 8.130 5.631 5.631 5.631 . 0 0 "[ ]" 1
38 1 7 DG H3' 1 8 DA H8 4.900 4.030 6.900 4.541 4.541 4.541 . 0 0 "[ ]" 1
39 1 7 DG H2' 1 8 DA H8 4.120 3.150 4.790 4.220 4.220 4.220 . 0 0 "[ ]" 1
40 1 8 DA H1' 1 8 DA H8 4.370 3.610 6.370 3.929 3.929 3.929 . 0 0 "[ ]" 1
41 1 8 DA H1' 1 8 DA H3' 5.130 4.160 7.130 3.999 3.999 3.999 0.161 1 0 "[ ]" 1
42 1 8 DA H3' 1 8 DA H8 5.360 3.730 7.360 3.999 3.999 3.999 . 0 0 "[ ]" 1
43 1 8 DA Q2' 1 8 DA H8 . 3.110 4.310 2.298 2.298 2.298 0.812 1 1 [+] 1
44 1 8 DA Q2' 1 8 DA H3' 2.330 2.170 4.330 2.125 2.125 2.125 0.045 1 0 "[ ]" 1
45 1 8 DA H1' 1 9 DC H6 4.050 3.430 6.050 4.041 4.041 4.041 . 0 0 "[ ]" 1
46 1 8 DA H8 1 9 DC H6 5.630 4.230 7.630 4.591 4.591 4.591 . 0 0 "[ ]" 1
47 1 8 DA H3' 1 9 DC H6 4.210 3.650 6.210 4.399 4.399 4.399 . 0 0 "[ ]" 1
48 1 8 DA Q2' 1 9 DC H6 3.660 3.050 4.500 2.181 2.181 2.181 0.869 1 1 [+] 1
49 1 8 DA H1' 1 9 DC H5 6.160 4.500 8.160 5.238 5.238 5.238 . 0 0 "[ ]" 1
50 1 8 DA H8 1 9 DC H5 3.730 3.390 5.730 3.616 3.616 3.616 . 0 0 "[ ]" 1
51 1 8 DA Q2' 1 9 DC H5 4.110 3.190 6.110 3.055 3.055 3.055 0.135 1 0 "[ ]" 1
52 1 9 DC H3' 1 9 DC H6 4.130 3.250 6.130 3.991 3.991 3.991 . 0 0 "[ ]" 1
53 1 9 DC Q2' 1 9 DC H6 . 3.370 4.250 2.252 2.252 2.252 1.118 1 1 [+] 1
54 1 9 DC Q2' 1 9 DC H5 4.880 3.820 6.880 4.362 4.362 4.362 . 0 0 "[ ]" 1
55 1 9 DC Q2' 1 9 DC H3' 2.810 2.410 4.810 2.190 2.190 2.190 0.220 1 0 "[ ]" 1
56 1 9 DC H6 1 10 DG H8 5.420 4.420 7.420 4.345 4.345 4.345 0.075 1 0 "[ ]" 1
57 1 9 DC H3' 1 10 DG H8 4.860 4.180 6.860 5.042 5.042 5.042 . 0 0 "[ ]" 1
58 1 9 DC Q2' 1 10 DG H8 3.690 3.360 5.690 2.767 2.767 2.767 0.593 1 1 [+] 1
59 1 10 DG H1' 1 10 DG H8 4.290 3.650 6.290 3.892 3.892 3.892 . 0 0 "[ ]" 1
60 1 10 DG H1' 1 10 DG H3' 4.920 4.090 6.920 3.987 3.987 3.987 0.103 1 0 "[ ]" 1
61 1 10 DG H3' 1 10 DG H8 4.280 3.510 6.280 4.251 4.251 4.251 . 0 0 "[ ]" 1
62 1 10 DG H1' 1 10 DG H2'' 3.490 2.690 4.400 2.327 2.327 2.327 0.363 1 0 "[ ]" 1
63 1 10 DG H2'' 1 10 DG H8 . 3.970 4.450 3.834 3.834 3.834 0.136 1 0 "[ ]" 1
64 1 10 DG H2'' 1 10 DG H3' . 2.790 4.610 2.895 2.895 2.895 . 0 0 "[ ]" 1
65 2 1 DC H3' 2 1 DC H6 4.190 3.430 6.190 3.269 3.269 3.269 0.161 1 0 "[ ]" 1
66 2 1 DC H2' 2 1 DC H6 2.410 2.310 4.410 2.511 2.511 2.511 . 0 0 "[ ]" 1
67 2 1 DC H3' 2 2 DG H8 4.200 3.690 6.200 4.321 4.321 4.321 . 0 0 "[ ]" 1
68 2 1 DC H2' 2 2 DG H8 3.650 3.260 5.430 3.156 3.156 3.156 0.104 1 0 "[ ]" 1
69 2 2 DG H1' 2 2 DG H3' 4.410 3.730 6.410 3.917 3.917 3.917 . 0 0 "[ ]" 1
70 2 2 DG H3' 2 2 DG H8 4.910 3.920 6.910 4.218 4.218 4.218 . 0 0 "[ ]" 1
71 2 2 DG Q2' 2 2 DG H8 . 3.230 4.450 2.472 2.472 2.472 0.758 1 1 [+] 1
72 2 2 DG H1' 2 3 DT H6 3.530 3.210 5.530 3.575 3.575 3.575 . 0 0 "[ ]" 1
73 2 2 DG H8 2 3 DT H6 5.660 4.310 7.660 5.505 5.505 5.505 . 0 0 "[ ]" 1
74 2 2 DG H3' 2 3 DT H6 5.200 3.760 7.200 5.135 5.135 5.135 . 0 0 "[ ]" 1
75 2 2 DG Q2' 2 3 DT H6 3.830 3.160 5.830 2.356 2.356 2.356 0.804 1 1 [+] 1
76 2 3 DT H1' 2 3 DT H6 3.950 3.230 5.950 3.678 3.678 3.678 . 0 0 "[ ]" 1
77 2 2 DG H1' 2 3 DT M7 4.770 4.190 6.770 4.006 4.006 4.006 0.184 1 0 "[ ]" 1
78 2 2 DG H8 2 3 DT M7 4.030 3.810 6.030 3.282 3.282 3.282 0.528 1 1 [+] 1
79 2 2 DG H3' 2 3 DT M7 5.690 4.660 7.690 4.545 4.545 4.545 0.115 1 0 "[ ]" 1
80 2 2 DG Q2' 2 3 DT M7 3.820 3.430 5.740 2.487 2.487 2.487 0.943 1 1 [+] 1
81 2 3 DT H1' 2 3 DT H3' 4.790 3.470 6.790 3.942 3.942 3.942 . 0 0 "[ ]" 1
82 2 3 DT H3' 2 3 DT H6 4.920 3.390 6.920 3.470 3.470 3.470 . 0 0 "[ ]" 1
83 2 3 DT H1' 2 3 DT H2' 3.290 2.840 5.290 3.021 3.021 3.021 . 0 0 "[ ]" 1
84 2 3 DT H2' 2 3 DT H6 2.140 . 4.140 2.224 2.224 2.224 . 0 0 "[ ]" 1
85 2 3 DT H2' 2 3 DT H3' 2.330 2.130 4.330 2.241 2.241 2.241 . 0 0 "[ ]" 1
86 2 3 DT H1' 2 4 DC H6 4.740 3.890 6.740 4.063 4.063 4.063 . 0 0 "[ ]" 1
87 2 3 DT H6 2 4 DC H6 6.400 4.290 8.400 4.929 4.929 4.929 . 0 0 "[ ]" 1
88 2 4 DC H3' 2 4 DC H6 3.880 3.160 5.880 3.374 3.374 3.374 . 0 0 "[ ]" 1
89 2 4 DC Q2' 2 4 DC H3' 3.520 2.980 5.520 2.128 2.128 2.128 0.852 1 1 [+] 1
90 2 4 DC H3' 2 5 DC H6 4.490 3.520 6.490 4.275 4.275 4.275 . 0 0 "[ ]" 1
91 2 4 DC Q2' 2 5 DC H6 2.680 2.470 4.680 2.150 2.150 2.150 0.320 1 0 "[ ]" 1
92 2 5 DC H2' 2 5 DC H6 2.310 2.180 4.310 2.435 2.435 2.435 . 0 0 "[ ]" 1
93 2 5 DC H2' 2 6 DT H6 2.940 2.610 4.750 3.056 3.056 3.056 . 0 0 "[ ]" 1
94 2 6 DT H1' 2 6 DT H6 3.960 3.240 5.960 3.548 3.548 3.548 . 0 0 "[ ]" 1
95 2 5 DC H6 2 6 DT M7 4.070 3.750 6.070 3.205 3.205 3.205 0.545 1 1 [+] 1
96 2 6 DT H1' 2 6 DT H3' 4.620 3.610 6.620 3.698 3.698 3.698 . 0 0 "[ ]" 1
97 2 6 DT H3' 2 6 DT H6 5.500 3.880 7.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
98 2 6 DT H1' 2 6 DT H2' 3.740 2.680 5.740 3.070 3.070 3.070 . 0 0 "[ ]" 1
99 2 6 DT H2' 2 6 DT H6 2.120 . 4.120 2.251 2.251 2.251 . 0 0 "[ ]" 1
100 2 6 DT H1' 2 6 DT H2'' 2.310 . 4.310 2.485 2.485 2.485 . 0 0 "[ ]" 1
101 2 6 DT H2'' 2 6 DT H6 4.690 2.860 6.690 3.639 3.639 3.639 . 0 0 "[ ]" 1
102 2 6 DT H1' 2 7 DG H8 5.200 4.000 7.200 4.105 4.105 4.105 . 0 0 "[ ]" 1
103 2 6 DT H6 2 7 DG H8 5.610 4.160 7.610 5.359 5.359 5.359 . 0 0 "[ ]" 1
104 2 6 DT H3' 2 7 DG H8 7.180 5.180 9.180 5.036 5.036 5.036 0.144 1 0 "[ ]" 1
105 2 6 DT H2' 2 7 DG H8 5.700 3.990 7.700 3.901 3.901 3.901 0.089 1 0 "[ ]" 1
106 2 7 DG H1' 2 7 DG H3' 4.780 4.010 6.780 3.898 3.898 3.898 0.112 1 0 "[ ]" 1
107 2 7 DG H3' 2 7 DG H8 4.570 3.610 6.570 4.050 4.050 4.050 . 0 0 "[ ]" 1
108 2 8 DG H8 2 9 DA H8 5.800 4.710 7.800 5.736 5.736 5.736 . 0 0 "[ ]" 1
109 2 9 DA H1' 2 9 DA H8 4.170 3.700 6.170 3.877 3.877 3.877 . 0 0 "[ ]" 1
110 2 9 DA H1' 2 9 DA H3' 4.670 3.760 6.670 3.948 3.948 3.948 . 0 0 "[ ]" 1
111 2 9 DA H2'' 2 9 DA H8 4.410 3.350 6.410 4.012 4.012 4.012 . 0 0 "[ ]" 1
112 2 9 DA H1' 2 10 DC H6 4.690 3.640 6.690 3.954 3.954 3.954 . 0 0 "[ ]" 1
113 2 9 DA H8 2 10 DC H6 5.530 4.210 7.530 4.318 4.318 4.318 . 0 0 "[ ]" 1
114 2 9 DA H1' 2 10 DC H5 5.790 4.370 7.790 5.326 5.326 5.326 . 0 0 "[ ]" 1
115 2 9 DA H8 2 10 DC H5 3.710 3.410 5.710 3.731 3.731 3.731 . 0 0 "[ ]" 1
116 2 9 DA H2'' 2 10 DC H5 5.660 3.560 5.860 4.173 4.173 4.173 . 0 0 "[ ]" 1
117 2 10 DC H3' 2 10 DC H6 3.600 3.040 5.600 3.754 3.754 3.754 . 0 0 "[ ]" 1
118 2 10 DC H2'' 2 10 DC H6 . 2.900 4.310 3.589 3.589 3.589 . 0 0 "[ ]" 1
119 2 10 DC H2'' 2 10 DC H3' 2.700 2.530 4.700 2.895 2.895 2.895 . 0 0 "[ ]" 1
120 2 10 DC H2'' 2 10 DC H5 4.850 3.670 6.850 5.021 5.021 5.021 . 0 0 "[ ]" 1
121 1 1 DG H1' 1 1 DG H8 4.430 3.750 6.430 3.854 3.854 3.854 . 0 0 "[ ]" 1
122 1 1 DG H1' 1 2 DT H6 4.360 3.550 6.360 4.500 4.500 4.500 . 0 0 "[ ]" 1
123 1 1 DG H1' 1 2 DT M7 5.790 4.760 7.790 4.790 4.790 4.790 . 0 0 "[ ]" 1
124 1 1 DG H3' 1 1 DG H8 5.500 4.300 7.500 4.688 4.688 4.688 . 0 0 "[ ]" 1
125 1 1 DG Q2' 1 1 DG H3' 2.860 2.720 4.860 2.325 2.325 2.325 0.395 1 0 "[ ]" 1
126 1 1 DG H3' 1 2 DT H6 4.410 3.590 6.410 4.593 4.593 4.593 . 0 0 "[ ]" 1
127 1 2 DT H1' 1 2 DT H4' 3.000 2.860 5.000 2.803 2.803 2.803 0.057 1 0 "[ ]" 1
128 1 2 DT H4' 1 2 DT H6 4.540 3.880 6.540 4.599 4.599 4.599 . 0 0 "[ ]" 1
129 1 2 DT H2' 1 2 DT H4' 4.160 3.250 6.160 3.872 3.872 3.872 . 0 0 "[ ]" 1
130 1 2 DT H2'' 1 2 DT H4' 4.360 3.090 6.360 3.493 3.493 3.493 . 0 0 "[ ]" 1
131 1 3 DC H3' 1 3 DC H6 3.760 3.200 5.760 3.747 3.747 3.747 . 0 0 "[ ]" 1
132 1 3 DC H2' 1 3 DC H3' 3.080 2.640 5.080 2.247 2.247 2.247 0.393 1 0 "[ ]" 1
133 1 4 DC H1' 1 4 DC H2' 3.650 3.050 5.650 3.032 3.032 3.032 0.018 1 0 "[ ]" 1
134 1 4 DC H2' 1 4 DC H6 2.240 2.060 4.240 2.225 2.225 2.225 . 0 0 "[ ]" 1
135 1 4 DC H1' 1 4 DC H6 3.420 3.220 5.420 3.607 3.607 3.607 . 0 0 "[ ]" 1
136 1 4 DC H2' 1 5 A3A H1' 3.500 2.610 5.500 3.521 3.521 3.521 . 0 0 "[ ]" 1
137 1 5 A3A H1' 1 5 A3A H8A 3.620 3.360 5.620 3.776 3.776 3.776 . 0 0 "[ ]" 1
138 1 5 A3A H1' 1 5 A3A H3' 4.440 3.570 6.440 4.034 4.034 4.034 . 0 0 "[ ]" 1
139 1 5 A3A H1' 1 5 A3A H2' 2.280 2.150 4.280 2.296 2.296 2.296 . 0 0 "[ ]" 1
140 1 5 A3A H1' 1 6 DG H8 5.340 4.300 7.340 4.793 4.793 4.793 . 0 0 "[ ]" 1
141 1 8 DA H1' 1 8 DA H4' 3.150 3.010 5.150 3.308 3.308 3.308 . 0 0 "[ ]" 1
142 1 8 DA H4' 1 8 DA H8 5.040 4.310 7.040 4.646 4.646 4.646 . 0 0 "[ ]" 1
143 1 8 DA H3' 1 8 DA H4' 2.960 2.760 4.960 2.862 2.862 2.862 . 0 0 "[ ]" 1
144 1 8 DA Q2' 1 8 DA H4' 4.540 3.590 5.970 3.407 3.407 3.407 0.183 1 0 "[ ]" 1
145 1 7 DG H1' 1 7 DG H8 4.830 3.910 6.830 3.857 3.857 3.857 0.053 1 0 "[ ]" 1
146 1 7 DG H1' 1 7 DG H2' 2.760 2.370 4.760 2.969 2.969 2.969 . 0 0 "[ ]" 1
147 1 7 DG H1' 1 8 DA H8 3.380 3.150 5.380 3.141 3.141 3.141 0.009 1 0 "[ ]" 1
148 1 9 DC H1' 1 9 DC H6 3.770 3.320 5.770 3.672 3.672 3.672 . 0 0 "[ ]" 1
149 1 9 DC H1' 1 9 DC H3' 4.760 3.940 6.760 3.849 3.849 3.849 0.091 1 0 "[ ]" 1
150 1 9 DC H1' 1 9 DC Q2' 3.710 3.130 5.710 2.200 2.200 2.200 0.930 1 1 [+] 1
151 1 9 DC H1' 1 10 DG H8 4.360 3.800 6.360 4.586 4.586 4.586 . 0 0 "[ ]" 1
152 1 10 DG H1' 1 10 DG H4' 3.280 3.110 5.280 3.025 3.025 3.025 0.085 1 0 "[ ]" 1
153 1 10 DG H4' 1 10 DG H8 5.040 4.400 7.040 5.144 5.144 5.144 . 0 0 "[ ]" 1
154 2 1 DC H1' 2 1 DC H6 3.140 2.940 5.140 3.502 3.502 3.502 . 0 0 "[ ]" 1
155 2 1 DC H1' 2 1 DC H3' 4.480 3.830 6.480 3.975 3.975 3.975 . 0 0 "[ ]" 1
156 2 1 DC H1' 2 2 DG H8 4.880 3.970 6.880 5.031 5.031 5.031 . 0 0 "[ ]" 1
157 2 2 DG H1' 2 2 DG H4' 3.180 3.000 5.180 3.233 3.233 3.233 . 0 0 "[ ]" 1
158 2 2 DG H4' 2 2 DG H8 5.340 4.430 7.340 4.844 4.844 4.844 . 0 0 "[ ]" 1
159 2 2 DG Q2' 2 2 DG H4' 3.850 3.370 5.850 3.468 3.468 3.468 . 0 0 "[ ]" 1
160 2 1 DC H1' 2 1 DC H2' 2.510 2.270 4.510 2.941 2.941 2.941 . 0 0 "[ ]" 1
161 2 3 DT H1' 2 3 DT H4' 2.920 2.800 4.920 2.904 2.904 2.904 . 0 0 "[ ]" 1
162 2 3 DT H4' 2 3 DT H6 4.290 3.760 6.290 4.370 4.370 4.370 . 0 0 "[ ]" 1
163 2 3 DT H2' 2 3 DT H4' 3.900 3.110 5.900 3.839 3.839 3.839 . 0 0 "[ ]" 1
164 2 4 DC H1' 2 4 DC H6 3.230 3.040 5.230 3.524 3.524 3.524 . 0 0 "[ ]" 1
165 2 4 DC H1' 2 4 DC H3' 4.640 3.770 6.640 3.971 3.971 3.971 . 0 0 "[ ]" 1
166 2 4 DC H1' 2 4 DC Q2' 3.980 3.060 5.980 2.212 2.212 2.212 0.848 1 1 [+] 1
167 2 5 DC H1' 2 5 DC H2' 4.220 3.060 4.280 2.987 2.987 2.987 0.073 1 0 "[ ]" 1
168 2 5 DC H1' 2 6 DT H6 4.910 3.530 6.910 3.920 3.920 3.920 . 0 0 "[ ]" 1
169 2 5 DC H1' 2 6 DT M7 5.460 4.470 7.460 4.422 4.422 4.422 0.048 1 0 "[ ]" 1
170 2 6 DT H1' 2 6 DT H4' 2.970 2.810 4.970 2.631 2.631 2.631 0.179 1 0 "[ ]" 1
171 2 6 DT H4' 2 6 DT H6 3.980 3.620 5.980 4.260 4.260 4.260 . 0 0 "[ ]" 1
172 2 4 DC H6 2 5 DC H5 3.620 3.340 5.620 3.626 3.626 3.626 . 0 0 "[ ]" 1
173 2 4 DC H3' 2 5 DC H5 4.960 4.030 6.960 5.052 5.052 5.052 . 0 0 "[ ]" 1
174 2 4 DC Q2' 2 5 DC H5 3.440 3.170 5.440 2.975 2.975 2.975 0.195 1 0 "[ ]" 1
175 2 5 DC H2' 2 5 DC H5 5.280 3.900 7.280 4.413 4.413 4.413 . 0 0 "[ ]" 1
176 2 5 DC H5 2 6 DT M7 4.100 3.900 6.100 3.234 3.234 3.234 0.666 1 1 [+] 1
177 2 7 DG H1' 2 7 DG H4' 3.050 2.900 5.050 3.201 3.201 3.201 . 0 0 "[ ]" 1
178 2 7 DG H4' 2 7 DG H8 4.620 4.000 6.620 4.582 4.582 4.582 . 0 0 "[ ]" 1
179 2 8 DG H1' 2 8 DG H8 4.160 3.670 6.160 3.830 3.830 3.830 . 0 0 "[ ]" 1
180 2 8 DG H1' 2 8 DG H3' 4.380 3.420 6.380 3.781 3.781 3.781 . 0 0 "[ ]" 1
181 2 8 DG H1' 2 9 DA H8 3.350 3.160 5.350 3.385 3.385 3.385 . 0 0 "[ ]" 1
182 2 9 DA H1' 2 9 DA H4' 3.200 3.040 5.200 3.256 3.256 3.256 . 0 0 "[ ]" 1
183 2 9 DA H4' 2 9 DA H8 5.060 4.130 7.060 4.618 4.618 4.618 . 0 0 "[ ]" 1
184 2 8 DG H2' 2 9 DA H8 2.760 2.620 4.760 4.311 4.311 4.311 . 0 0 "[ ]" 1
185 1 2 DT H6 1 3 DC H5 3.670 3.340 5.670 3.747 3.747 3.747 . 0 0 "[ ]" 1
186 1 2 DT M7 1 3 DC H5 4.750 4.450 6.750 3.662 3.662 3.662 0.788 1 1 [+] 1
187 1 8 DA H1' 1 8 DA H2 4.400 3.970 6.400 4.461 4.461 4.461 . 0 0 "[ ]" 1
188 1 8 DA H2 1 9 DC H1' 4.400 3.810 6.400 4.130 4.130 4.130 . 0 0 "[ ]" 1
189 1 8 DA H2 2 4 DC H1' 4.360 3.820 6.360 3.882 3.882 3.882 . 0 0 "[ ]" 1
190 1 8 DA H1' 1 9 DC H4' 3.620 3.230 5.620 3.688 3.688 3.688 . 0 0 "[ ]" 1
191 1 9 DC H4' 1 9 DC H6 4.080 3.570 6.080 4.394 4.394 4.394 . 0 0 "[ ]" 1
192 1 9 DC Q2' 1 9 DC H4' 4.170 3.130 6.170 3.262 3.262 3.262 . 0 0 "[ ]" 1
193 2 3 DT H1' 2 4 DC H5 5.250 3.960 7.250 4.872 4.872 4.872 . 0 0 "[ ]" 1
194 2 3 DT H6 2 4 DC H5 3.810 3.460 5.810 3.713 3.713 3.713 . 0 0 "[ ]" 1
195 2 3 DT M7 2 4 DC H5 4.580 4.310 6.580 3.641 3.641 3.641 0.669 1 1 [+] 1
196 2 5 DC H3' 2 5 DC H6 4.890 4.070 6.890 3.977 3.977 3.977 0.093 1 0 "[ ]" 1
197 2 5 DC H2' 2 5 DC H3' 3.370 2.880 5.370 2.580 2.580 2.580 0.300 1 0 "[ ]" 1
198 2 7 DG H1' 2 7 DG H2' 2.340 2.210 4.340 3.057 3.057 3.057 . 0 0 "[ ]" 1
199 2 8 DG H1' 2 8 DG H2' 3.480 2.620 5.480 3.098 3.098 3.098 . 0 0 "[ ]" 1
200 1 2 DT H1' 2 9 DA H2 5.090 4.330 7.090 5.136 5.136 5.136 . 0 0 "[ ]" 1
201 2 9 DA H1' 2 9 DA H2 4.350 3.950 6.350 4.434 4.434 4.434 . 0 0 "[ ]" 1
202 2 9 DA H2'' 2 9 DA H4' 4.300 3.560 6.300 3.804 3.804 3.804 . 0 0 "[ ]" 1
203 1 1 DG H4' 1 1 DG H8 5.910 4.640 7.910 4.730 4.730 4.730 . 0 0 "[ ]" 1
204 1 3 DC H1' 1 3 DC H6 3.700 3.390 5.700 3.718 3.718 3.718 . 0 0 "[ ]" 1
205 1 3 DC H1' 1 4 DC H6 3.600 3.290 5.600 3.616 3.616 3.616 . 0 0 "[ ]" 1
206 1 3 DC H1' 1 3 DC H2' 3.260 2.930 5.260 3.035 3.035 3.035 . 0 0 "[ ]" 1
207 1 4 DC H2' 1 4 DC H4' 3.740 3.100 5.740 3.789 3.789 3.789 . 0 0 "[ ]" 1
208 1 4 DC H2' 1 4 DC H3' 2.480 2.200 4.480 2.336 2.336 2.336 . 0 0 "[ ]" 1
209 1 5 A3A H4' 1 5 A3A H8A 2.670 2.390 4.670 2.458 2.458 2.458 . 0 0 "[ ]" 1
210 1 5 A3A H4' 1 6 DG H8 5.920 4.350 7.920 5.722 5.722 5.722 . 0 0 "[ ]" 1
211 1 5 A3A H1' 1 5 A3A H4' 4.050 3.710 6.050 3.952 3.952 3.952 . 0 0 "[ ]" 1
212 1 7 DG H4' 1 7 DG H8 5.090 4.340 7.090 5.144 5.144 5.144 . 0 0 "[ ]" 1
213 1 7 DG H4' 1 8 DA H8 5.200 4.430 7.200 5.212 5.212 5.212 . 0 0 "[ ]" 1
214 1 7 DG H1' 1 7 DG H4' 3.100 2.890 5.100 2.970 2.970 2.970 . 0 0 "[ ]" 1
215 2 1 DC H1' 2 1 DC H4' 3.640 3.440 5.640 3.301 3.301 3.301 0.139 1 0 "[ ]" 1
216 2 5 DC H2' 2 5 DC H4' 3.500 3.160 5.500 3.786 3.786 3.786 . 0 0 "[ ]" 1
217 2 8 DG H4' 2 8 DG H8 4.830 4.050 6.830 4.950 4.950 4.950 . 0 0 "[ ]" 1
218 2 8 DG H4' 2 9 DA H8 5.280 4.340 7.280 5.296 5.296 5.296 . 0 0 "[ ]" 1
219 2 8 DG H1' 2 8 DG H4' 3.180 3.000 5.180 2.886 2.886 2.886 0.114 1 0 "[ ]" 1
220 2 10 DC H1' 2 10 DC H6 3.990 3.500 5.990 3.677 3.677 3.677 . 0 0 "[ ]" 1
221 2 10 DC H1' 2 10 DC H3' 5.020 4.160 7.020 3.996 3.996 3.996 0.164 1 0 "[ ]" 1
222 2 3 DT H2'' 2 3 DT H6 3.890 2.440 5.890 3.728 3.728 3.728 . 0 0 "[ ]" 1
223 2 10 DC H4' 2 10 DC H6 4.920 3.980 6.920 4.481 4.481 4.481 . 0 0 "[ ]" 1
224 2 10 DC H1' 2 10 DC H4' 2.920 2.720 4.920 2.847 2.847 2.847 . 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 27
_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 DT 0.000 0.000 . 0 "[ ]"
1 3 DC 0.000 0.000 . 0 "[ ]"
1 4 DC 0.000 0.000 . 0 "[ ]"
1 5 A3A 0.000 0.000 . 0 "[ ]"
1 6 DG 0.000 0.000 . 0 "[ ]"
1 7 DG 0.000 0.000 . 0 "[ ]"
1 8 DA 0.000 0.000 . 0 "[ ]"
1 9 DC 0.000 0.000 . 0 "[ ]"
2 2 DG 0.000 0.000 . 0 "[ ]"
2 3 DT 0.000 0.000 . 0 "[ ]"
2 4 DC 0.000 0.000 . 0 "[ ]"
2 5 DC 0.000 0.000 . 0 "[ ]"
2 7 DG 0.000 0.000 . 0 "[ ]"
2 8 DG 0.000 0.000 . 0 "[ ]"
2 9 DA 0.000 0.000 . 0 "[ ]"
2 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 H1 1 2 DT H3 5.000 . 6.000 3.218 3.218 3.218 . 0 0 "[ ]" 2
2 1 2 DT H3 2 8 DG H1 5.000 . 6.000 3.574 3.574 3.574 . 0 0 "[ ]" 2
3 2 2 DG H1 2 3 DT H3 5.000 . 6.000 3.474 3.474 3.474 . 0 0 "[ ]" 2
4 1 7 DG H1 2 3 DT H3 5.000 . 6.000 3.728 3.728 3.728 . 0 0 "[ ]" 2
5 2 7 DG H1 2 8 DG H1 5.000 . 6.000 3.620 3.620 3.620 . 0 0 "[ ]" 2
6 1 2 DT H3 2 9 DA H2 5.000 . 6.000 2.865 2.865 2.865 . 0 0 "[ ]" 2
7 1 8 DA H2 2 3 DT H3 5.000 . 6.000 2.923 2.923 2.923 . 0 0 "[ ]" 2
8 1 5 A3A H2A 1 6 DG H1 5.000 . 6.000 4.291 4.291 4.291 . 0 0 "[ ]" 2
9 1 5 A3A H2A 2 7 DG H1 5.000 . 6.000 3.781 3.781 3.781 . 0 0 "[ ]" 2
10 1 8 DA H2 2 2 DG H1 5.000 . 6.000 4.783 4.783 4.783 . 0 0 "[ ]" 2
11 1 7 DG H1 1 8 DA H2 5.000 . 6.000 4.059 4.059 4.059 . 0 0 "[ ]" 2
12 2 8 DG H1 2 9 DA H2 5.000 . 6.000 3.830 3.830 3.830 . 0 0 "[ ]" 2
13 1 1 DG H1 2 10 DC H41 5.000 . 6.000 2.531 2.531 2.531 . 0 0 "[ ]" 2
14 1 1 DG H1 2 10 DC H42 5.000 . 6.000 4.098 4.098 4.098 . 0 0 "[ ]" 2
15 1 9 DC H41 2 2 DG H1 5.000 . 6.000 2.522 2.522 2.522 . 0 0 "[ ]" 2
16 1 9 DC H42 2 2 DG H1 5.000 . 6.000 4.100 4.100 4.100 . 0 0 "[ ]" 2
17 1 6 DG H1 2 5 DC H41 5.000 . 6.000 2.312 2.312 2.312 . 0 0 "[ ]" 2
18 1 6 DG H1 2 5 DC H42 5.000 . 6.000 3.878 3.878 3.878 . 0 0 "[ ]" 2
19 1 7 DG H1 2 4 DC H41 5.000 . 6.000 2.545 2.545 2.545 . 0 0 "[ ]" 2
20 1 7 DG H1 2 4 DC H42 5.000 . 6.000 4.103 4.103 4.103 . 0 0 "[ ]" 2
21 1 3 DC H41 2 8 DG H1 5.000 . 6.000 2.321 2.321 2.321 . 0 0 "[ ]" 2
22 1 3 DC H42 2 8 DG H1 5.000 . 6.000 3.885 3.885 3.885 . 0 0 "[ ]" 2
23 1 4 DC H41 2 7 DG H1 5.000 . 6.000 2.339 2.339 2.339 . 0 0 "[ ]" 2
24 1 4 DC H42 2 7 DG H1 5.000 . 6.000 3.916 3.916 3.916 . 0 0 "[ ]" 2
25 1 5 A3A H2A 2 5 DC H41 5.000 . 6.000 3.843 3.843 3.843 . 0 0 "[ ]" 2
26 1 5 A3A H2A 2 5 DC H42 5.000 . 6.000 4.987 4.987 4.987 . 0 0 "[ ]" 2
27 1 4 DC H41 1 5 A3A H2A 5.000 . 6.000 3.201 3.201 3.201 . 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 25
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.066
_Distance_constraint_stats_list.Viol_max 0.039
_Distance_constraint_stats_list.Viol_rms 0.0091
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0219
_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 DT 0.002 0.002 1 0 "[ ]"
1 3 DC 0.000 0.000 . 0 "[ ]"
1 4 DC 0.025 0.025 1 0 "[ ]"
1 6 DG 0.000 0.000 . 0 "[ ]"
1 7 DG 0.000 0.000 . 0 "[ ]"
1 8 DA 0.039 0.039 1 0 "[ ]"
1 9 DC 0.000 0.000 . 0 "[ ]"
1 10 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.000 0.000 . 0 "[ ]"
2 2 DG 0.000 0.000 . 0 "[ ]"
2 3 DT 0.039 0.039 1 0 "[ ]"
2 4 DC 0.000 0.000 . 0 "[ ]"
2 5 DC 0.000 0.000 . 0 "[ ]"
2 7 DG 0.025 0.025 1 0 "[ ]"
2 8 DG 0.000 0.000 . 0 "[ ]"
2 9 DA 0.002 0.002 1 0 "[ ]"
2 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 2 10 DC N4 3.010 2.810 3.510 2.931 2.931 2.931 . 0 0 "[ ]" 3
2 1 1 DG N1 2 10 DC N3 3.050 2.850 3.550 2.914 2.914 2.914 . 0 0 "[ ]" 3
3 1 1 DG N2 2 10 DC O2 2.960 2.760 3.460 2.844 2.844 2.844 . 0 0 "[ ]" 3
4 1 3 DC N4 2 8 DG O6 3.010 2.810 3.510 2.893 2.893 2.893 . 0 0 "[ ]" 3
5 1 3 DC N3 2 8 DG N1 3.050 2.850 3.550 2.965 2.965 2.965 . 0 0 "[ ]" 3
6 1 3 DC O2 2 8 DG N2 2.960 2.760 3.460 2.926 2.926 2.926 . 0 0 "[ ]" 3
7 1 4 DC N4 2 7 DG O6 3.010 2.810 3.510 2.785 2.785 2.785 0.025 1 0 "[ ]" 3
8 1 4 DC N3 2 7 DG N1 3.050 2.850 3.550 2.905 2.905 2.905 . 0 0 "[ ]" 3
9 1 4 DC O2 2 7 DG N2 2.960 2.760 3.460 2.895 2.895 2.895 . 0 0 "[ ]" 3
10 1 6 DG O6 2 5 DC N4 3.010 2.810 3.510 2.843 2.843 2.843 . 0 0 "[ ]" 3
11 1 6 DG N1 2 5 DC N3 3.050 2.850 3.550 2.922 2.922 2.922 . 0 0 "[ ]" 3
12 1 6 DG N2 2 5 DC O2 2.960 2.760 3.460 2.877 2.877 2.877 . 0 0 "[ ]" 3
13 1 7 DG O6 2 4 DC N4 3.010 2.810 3.510 2.860 2.860 2.860 . 0 0 "[ ]" 3
14 1 7 DG N1 2 4 DC N3 3.050 2.850 3.550 2.942 2.942 2.942 . 0 0 "[ ]" 3
15 1 7 DG N2 2 4 DC O2 2.960 2.760 3.460 2.956 2.956 2.956 . 0 0 "[ ]" 3
16 1 9 DC N4 2 2 DG O6 3.010 2.810 3.510 3.034 3.034 3.034 . 0 0 "[ ]" 3
17 1 9 DC N3 2 2 DG N1 3.050 2.850 3.550 2.928 2.928 2.928 . 0 0 "[ ]" 3
18 1 9 DC O2 2 2 DG N2 2.960 2.760 3.460 2.760 2.760 2.760 . 0 0 "[ ]" 3
19 1 10 DG O6 2 1 DC N4 3.010 2.810 3.510 2.955 2.955 2.955 . 0 0 "[ ]" 3
20 1 10 DG N1 2 1 DC N3 3.050 2.850 3.550 2.916 2.916 2.916 . 0 0 "[ ]" 3
21 1 10 DG N2 2 1 DC O2 2.960 2.760 3.460 2.882 2.882 2.882 . 0 0 "[ ]" 3
22 1 2 DT N3 2 9 DA N1 2.920 2.720 3.420 2.920 2.920 2.920 . 0 0 "[ ]" 3
23 1 2 DT O4 2 9 DA N6 3.050 2.850 3.550 2.848 2.848 2.848 0.002 1 0 "[ ]" 3
24 1 8 DA N1 2 3 DT N3 2.920 2.720 3.420 2.942 2.942 2.942 . 0 0 "[ ]" 3
25 1 8 DA N6 2 3 DT O4 3.050 2.850 3.550 2.811 2.811 2.811 0.039 1 0 "[ ]" 3
stop_
save_
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