NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379391 |
1hx4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hx4
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 438
_Distance_constraint_stats_list.Viol_count 1091
_Distance_constraint_stats_list.Viol_total 822.972
_Distance_constraint_stats_list.Viol_max 0.557
_Distance_constraint_stats_list.Viol_rms 0.0557
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0232
_Distance_constraint_stats_list.Viol_average_violations_only 0.0838
_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 8.373 0.160 9 0 "[ . ]"
1 2 DC 12.588 0.255 1 0 "[ . ]"
1 3 DA 3.368 0.183 2 0 "[ . ]"
1 4 DT 3.741 0.183 2 0 "[ . ]"
1 5 DC 2.723 0.152 6 0 "[ . ]"
1 6 DG 0.407 0.086 7 0 "[ . ]"
1 7 DC 4.379 0.258 3 0 "[ . ]"
1 8 DT 8.703 0.344 1 0 "[ . ]"
1 9 DA 6.807 0.344 1 0 "[ . ]"
1 10 DC 10.802 0.208 1 0 "[ . ]"
1 11 DC 10.205 0.316 7 0 "[ . ]"
2 1 DG 1.896 0.141 7 0 "[ . ]"
2 2 DG 4.780 0.184 7 0 "[ . ]"
2 3 DT 7.484 0.294 1 0 "[ . ]"
2 4 DA 9.483 0.456 5 0 "[ . ]"
2 5 DG 9.198 0.456 5 0 "[ . ]"
2 6 DC 1.659 0.248 2 0 "[ . ]"
2 7 DG 8.062 0.251 6 0 "[ . ]"
2 8 DA 4.624 0.251 6 0 "[ . ]"
2 9 DT 1.402 0.102 6 0 "[ . ]"
2 10 DG 2.563 0.197 2 0 "[ . ]"
2 11 DG 1.823 0.106 6 0 "[ . ]"
3 1 BPJ 11.527 0.557 9 6 "[ *-** *+]"
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 3.100 2.640 3.560 3.605 3.596 3.611 0.051 3 0 "[ . ]" 1
2 1 1 DC H2' 1 1 DC H6 2.560 2.250 2.870 2.229 2.213 2.246 0.037 6 0 "[ . ]" 1
3 1 1 DC H2'' 1 1 DC H6 2.920 2.580 3.670 3.721 3.713 3.733 0.063 2 0 "[ . ]" 1
4 1 1 DC H3' 1 1 DC H6 3.440 2.690 4.190 2.720 2.667 2.763 0.023 6 0 "[ . ]" 1
5 1 1 DC H4' 1 1 DC H6 3.850 3.160 4.600 4.278 4.259 4.291 . 0 0 "[ . ]" 1
6 1 1 DC Q5' 1 1 DC H6 3.680 3.140 4.430 4.113 4.096 4.125 . 0 0 "[ . ]" 1
7 1 1 DC H3' 1 1 DC H5 4.120 3.500 4.870 4.999 4.962 5.024 0.154 1 0 "[ . ]" 1
8 1 1 DC H2' 1 1 DC H3' 2.530 2.230 2.830 2.149 2.133 2.164 0.097 4 0 "[ . ]" 1
9 1 1 DC H1' 1 1 DC H2' 2.720 2.310 3.280 2.884 2.867 2.901 . 0 0 "[ . ]" 1
10 1 1 DC H1' 1 1 DC H2'' 2.310 2.030 2.590 2.126 2.100 2.153 . 0 0 "[ . ]" 1
11 1 1 DC H1' 1 1 DC H3' 3.560 3.030 4.090 3.871 3.848 3.891 . 0 0 "[ . ]" 1
12 1 1 DC H1' 1 1 DC H4' 2.890 2.490 3.390 2.663 2.648 2.708 . 0 0 "[ . ]" 1
13 1 1 DC H6 1 2 DC H6 4.950 4.500 5.480 4.486 4.428 4.530 0.072 8 0 "[ . ]" 1
14 1 1 DC H6 1 2 DC H5 3.600 3.070 4.130 3.674 3.606 3.711 . 0 0 "[ . ]" 1
15 1 1 DC H5 1 2 DC H5 4.230 3.840 4.880 4.182 4.073 4.276 . 0 0 "[ . ]" 1
16 1 1 DC H1' 1 2 DC H6 3.650 3.200 4.100 3.472 3.329 3.625 . 0 0 "[ . ]" 1
17 1 1 DC H3' 1 2 DC H6 3.840 3.420 4.590 4.509 4.442 4.550 . 0 0 "[ . ]" 1
18 1 1 DC H4' 1 2 DC H6 4.260 3.530 5.010 5.122 5.107 5.133 0.123 7 0 "[ . ]" 1
19 1 1 DC H1' 1 2 DC H5 3.520 3.150 4.270 4.405 4.381 4.430 0.160 9 0 "[ . ]" 1
20 1 1 DC H2'' 1 2 DC H6 2.880 2.380 3.230 2.306 2.300 2.328 0.080 9 0 "[ . ]" 1
21 1 1 DC H2' 1 2 DC H6 2.920 2.570 3.420 2.582 2.539 2.597 0.031 6 0 "[ . ]" 1
22 1 1 DC H3' 1 2 DC H5 3.650 3.100 4.400 4.524 4.505 4.545 0.145 3 0 "[ . ]" 1
23 1 1 DC H1' 1 2 DC H3' 4.650 3.810 5.640 5.149 4.746 5.543 . 0 0 "[ . ]" 1
24 1 1 DC H2' 1 2 DC H5 3.120 2.620 3.620 2.520 2.509 2.534 0.111 1 0 "[ . ]" 1
25 1 1 DC H2'' 1 2 DC H5 3.260 2.770 3.750 3.544 3.515 3.576 . 0 0 "[ . ]" 1
26 1 2 DC H1' 1 2 DC H6 3.420 3.010 3.830 3.637 3.622 3.653 . 0 0 "[ . ]" 1
27 1 2 DC H1' 1 2 DC H5 4.030 3.500 5.020 5.183 5.176 5.193 0.173 2 0 "[ . ]" 1
28 1 2 DC H2' 1 2 DC H6 2.360 . 2.840 1.975 1.964 1.983 . 0 0 "[ . ]" 1
29 1 2 DC H2'' 1 2 DC H6 2.820 2.400 3.340 3.372 3.357 3.386 0.046 7 0 "[ . ]" 1
30 1 2 DC H3' 1 2 DC H6 3.630 3.080 4.380 3.410 3.306 3.479 . 0 0 "[ . ]" 1
31 1 2 DC H4' 1 2 DC H6 4.130 3.510 4.850 4.432 4.386 4.520 . 0 0 "[ . ]" 1
32 1 2 DC Q5' 1 2 DC H6 3.880 3.300 4.630 3.981 3.809 4.192 . 0 0 "[ . ]" 1
33 1 2 DC H1' 1 2 DC H2' 3.060 2.610 3.510 3.091 3.082 3.105 . 0 0 "[ . ]" 1
34 1 2 DC H1' 1 2 DC H2'' 2.500 2.200 2.800 2.446 2.428 2.475 . 0 0 "[ . ]" 1
35 1 2 DC H1' 1 2 DC H3' 4.090 3.270 4.910 3.889 3.879 3.902 . 0 0 "[ . ]" 1
36 1 2 DC H1' 1 2 DC H4' 2.920 2.570 3.470 2.976 2.840 3.080 . 0 0 "[ . ]" 1
37 1 2 DC H2' 1 2 DC H5 3.330 2.930 3.830 3.744 3.715 3.774 . 0 0 "[ . ]" 1
38 1 2 DC H2'' 1 2 DC H5 3.750 3.220 4.740 4.967 4.945 4.990 0.250 2 0 "[ . ]" 1
39 1 2 DC H2' 1 2 DC H3' 2.450 2.160 2.840 2.064 2.058 2.070 0.102 3 0 "[ . ]" 1
40 1 2 DC H2'' 1 2 DC H3' 2.620 2.330 3.010 2.737 2.686 2.806 . 0 0 "[ . ]" 1
41 1 2 DC H3' 1 2 DC H5 4.220 3.460 5.180 5.396 5.340 5.435 0.255 1 0 "[ . ]" 1
42 1 2 DC H6 1 3 DA H8 4.330 3.710 4.950 4.548 4.446 4.720 . 0 0 "[ . ]" 1
43 1 2 DC H1' 1 3 DA H8 3.560 3.130 3.990 4.038 3.972 4.071 0.081 1 0 "[ . ]" 1
44 1 2 DC H2' 1 3 DA H8 3.650 3.210 4.090 3.577 3.513 3.651 . 0 0 "[ . ]" 1
45 1 2 DC H2'' 1 3 DA H8 3.080 2.510 3.450 2.731 2.694 2.773 . 0 0 "[ . ]" 1
46 1 2 DC H3' 1 3 DA H8 4.670 3.830 5.510 5.274 5.186 5.365 . 0 0 "[ . ]" 1
47 1 2 DC H4' 1 3 DA H8 5.500 4.510 6.490 6.385 6.274 6.469 . 0 0 "[ . ]" 1
48 1 2 DC H1' 1 3 DA H4' 4.390 3.730 5.380 4.732 4.592 4.957 . 0 0 "[ . ]" 1
49 1 3 DA H1' 1 3 DA H8 3.520 3.090 3.950 3.839 3.821 3.865 . 0 0 "[ . ]" 1
50 1 3 DA H2' 1 3 DA H8 2.440 2.050 2.830 2.142 2.115 2.157 . 0 0 "[ . ]" 1
51 1 3 DA H2'' 1 3 DA H8 2.890 2.460 3.420 3.520 3.473 3.544 0.124 4 0 "[ . ]" 1
52 1 3 DA H3' 1 3 DA H8 3.450 2.930 4.200 3.979 3.815 4.130 . 0 0 "[ . ]" 1
53 1 3 DA H4' 1 3 DA H8 4.680 3.870 5.490 4.931 4.847 5.095 . 0 0 "[ . ]" 1
54 1 3 DA Q5' 1 3 DA H8 4.580 3.780 5.380 4.609 4.425 4.849 . 0 0 "[ . ]" 1
55 1 3 DA H1' 1 3 DA H2' 2.820 2.420 3.220 3.034 3.030 3.039 . 0 0 "[ . ]" 1
56 1 3 DA H1' 1 3 DA H2'' 2.480 2.180 2.780 2.328 2.301 2.357 . 0 0 "[ . ]" 1
57 1 3 DA H1' 1 3 DA H3' 3.500 2.870 4.130 3.814 3.783 3.869 . 0 0 "[ . ]" 1
58 1 3 DA H1' 1 3 DA H4' 3.230 2.840 3.620 2.788 2.767 2.804 0.073 8 0 "[ . ]" 1
59 1 3 DA H1' 1 3 DA Q5' 3.540 3.080 4.490 4.108 4.083 4.128 . 0 0 "[ . ]" 1
60 1 3 DA H2'' 1 3 DA H3' 2.530 2.230 2.830 2.750 2.689 2.802 . 0 0 "[ . ]" 1
61 1 3 DA H2' 1 3 DA H4' 3.590 2.940 4.240 3.780 3.750 3.824 . 0 0 "[ . ]" 1
62 1 3 DA H2'' 1 3 DA H4' 3.930 3.220 4.640 3.696 3.596 3.762 . 0 0 "[ . ]" 1
63 1 3 DA H1' 1 3 DA H2 5.050 4.300 5.550 4.649 4.576 4.705 . 0 0 "[ . ]" 1
64 1 3 DA H2 2 10 DG H1' 4.500 3.750 5.250 4.569 4.340 4.710 . 0 0 "[ . ]" 1
65 1 3 DA H8 1 4 DT H6 4.150 3.380 4.920 4.809 4.697 4.863 . 0 0 "[ . ]" 1
66 1 3 DA H1' 1 4 DT H6 3.350 2.850 3.850 3.791 3.549 3.880 0.030 1 0 "[ . ]" 1
67 1 3 DA H2' 1 4 DT H6 3.110 2.740 3.480 3.571 3.526 3.663 0.183 2 0 "[ . ]" 1
68 1 3 DA H2'' 1 4 DT H6 2.830 2.290 3.170 2.250 2.206 2.259 0.084 2 0 "[ . ]" 1
69 1 3 DA H3' 1 4 DT H6 4.060 3.480 4.810 4.834 4.755 4.894 0.084 4 0 "[ . ]" 1
70 1 3 DA H4' 1 4 DT H6 5.500 4.510 6.490 5.782 5.541 5.903 . 0 0 "[ . ]" 1
71 1 3 DA H1' 1 4 DT H3' 5.420 4.340 6.610 6.026 5.838 6.204 . 0 0 "[ . ]" 1
72 1 4 DT H1' 1 4 DT H6 3.480 2.970 3.990 3.772 3.715 3.797 . 0 0 "[ . ]" 1
73 1 4 DT H2' 1 4 DT H6 2.550 2.050 3.050 2.071 2.056 2.112 . 0 0 "[ . ]" 1
74 1 4 DT H2'' 1 4 DT H6 3.030 2.580 3.480 3.389 3.295 3.506 0.026 6 0 "[ . ]" 1
75 1 4 DT H3' 1 4 DT H6 3.760 3.310 4.510 4.310 4.192 4.406 . 0 0 "[ . ]" 1
76 1 4 DT H4' 1 4 DT H6 4.180 3.430 4.930 4.816 4.648 4.911 . 0 0 "[ . ]" 1
77 1 4 DT Q5' 1 4 DT H6 4.130 3.390 4.870 4.030 3.901 4.340 . 0 0 "[ . ]" 1
78 1 4 DT H1' 1 4 DT H2' 2.740 2.330 3.150 3.047 3.021 3.058 . 0 0 "[ . ]" 1
79 1 4 DT H1' 1 4 DT H2'' 2.370 2.090 2.650 2.384 2.354 2.408 . 0 0 "[ . ]" 1
80 1 4 DT H1' 1 4 DT H3' 3.850 3.270 4.430 3.768 3.726 3.828 . 0 0 "[ . ]" 1
81 1 4 DT H1' 1 4 DT H4' 2.700 2.380 3.220 3.146 2.842 3.226 0.006 8 0 "[ . ]" 1
82 1 4 DT H1' 1 5 DC H6 3.360 2.810 3.910 3.342 3.193 3.537 . 0 0 "[ . ]" 1
83 1 4 DT H2' 1 5 DC H6 3.130 2.630 3.780 3.846 3.801 3.886 0.106 5 0 "[ . ]" 1
84 1 4 DT H1' 1 5 DC H5 3.660 3.060 4.310 4.304 4.273 4.324 0.014 2 0 "[ . ]" 1
85 1 5 DC H1' 1 5 DC H6 3.550 2.900 4.200 3.720 3.684 3.761 . 0 0 "[ . ]" 1
86 1 5 DC H2' 1 5 DC H6 2.790 2.250 3.130 2.232 2.213 2.251 0.037 4 0 "[ . ]" 1
87 1 5 DC H2'' 1 5 DC H6 2.840 2.500 3.380 3.495 3.457 3.516 0.136 1 0 "[ . ]" 1
88 1 5 DC H3' 1 5 DC H6 3.690 3.250 4.440 4.183 4.056 4.383 . 0 0 "[ . ]" 1
89 1 5 DC H4' 1 5 DC H6 4.170 3.540 4.800 4.675 4.606 4.732 . 0 0 "[ . ]" 1
90 1 5 DC H1' 1 5 DC H3' 3.650 2.910 4.390 3.799 3.687 3.863 . 0 0 "[ . ]" 1
91 1 5 DC H1' 1 5 DC H4' 3.200 2.650 3.950 3.012 2.794 3.285 . 0 0 "[ . ]" 1
92 1 6 DG H3' 1 6 DG H8 3.910 3.160 4.900 4.150 3.833 4.340 . 0 0 "[ . ]" 1
93 1 7 DC H1' 1 7 DC H6 3.410 2.660 4.160 3.544 3.470 3.600 . 0 0 "[ . ]" 1
94 1 7 DC H1' 1 7 DC H3' 3.910 3.320 4.500 3.922 3.733 4.069 . 0 0 "[ . ]" 1
95 1 7 DC H1' 1 7 DC H4' 2.980 2.620 3.440 3.473 3.440 3.514 0.074 3 0 "[ . ]" 1
96 1 7 DC H2'' 1 7 DC H3' 2.620 2.310 2.930 2.854 2.723 2.979 0.049 1 0 "[ . ]" 1
97 1 7 DC H2' 1 7 DC H4' 3.180 2.670 3.690 3.762 3.489 3.919 0.229 4 0 "[ . ]" 1
98 1 7 DC H2'' 1 7 DC H4' 3.430 2.950 4.010 3.283 2.814 4.045 0.136 1 0 "[ . ]" 1
99 1 7 DC H1' 1 8 DT H6 3.460 2.810 4.210 4.425 4.379 4.468 0.258 3 0 "[ . ]" 1
100 1 7 DC H3' 1 8 DT H6 4.100 3.490 4.850 3.539 3.458 3.841 0.032 4 0 "[ . ]" 1
101 1 8 DT H1' 1 8 DT H6 3.440 3.020 3.860 3.539 3.496 3.602 . 0 0 "[ . ]" 1
102 1 8 DT H2' 1 8 DT H6 2.260 . 2.630 1.872 1.859 1.883 0.131 4 0 "[ . ]" 1
103 1 8 DT H2'' 1 8 DT H6 2.650 2.260 3.240 3.290 3.268 3.318 0.078 9 0 "[ . ]" 1
104 1 8 DT H3' 1 8 DT H6 3.260 2.770 4.050 3.259 3.080 3.356 . 0 0 "[ . ]" 1
105 1 8 DT H4' 1 8 DT H6 3.680 3.130 4.430 4.300 4.196 4.421 . 0 0 "[ . ]" 1
106 1 8 DT Q5' 1 8 DT H6 3.850 3.270 4.600 3.960 3.732 4.328 . 0 0 "[ . ]" 1
107 1 8 DT H1' 1 8 DT H2' 2.860 2.430 3.360 3.088 3.061 3.100 . 0 0 "[ . ]" 1
108 1 8 DT H1' 1 8 DT H2'' 2.430 2.040 2.820 2.448 2.330 2.493 . 0 0 "[ . ]" 1
109 1 8 DT H1' 1 8 DT H3' 3.780 3.100 4.460 3.851 3.827 3.868 . 0 0 "[ . ]" 1
110 1 8 DT H1' 1 8 DT H4' 2.950 2.510 3.390 2.724 2.562 2.826 . 0 0 "[ . ]" 1
111 1 8 DT H2' 1 8 DT H3' 2.340 . 2.720 2.078 2.062 2.106 . 0 0 "[ . ]" 1
112 1 8 DT H2'' 1 8 DT H3' 2.620 2.230 3.010 2.759 2.732 2.855 . 0 0 "[ . ]" 1
113 1 8 DT H6 1 9 DA H8 4.290 3.720 4.940 5.187 5.098 5.284 0.344 1 0 "[ . ]" 1
114 1 8 DT H1' 1 9 DA H8 3.580 3.140 4.020 3.121 3.069 3.376 0.071 2 0 "[ . ]" 1
115 1 8 DT H2' 1 9 DA H8 3.480 2.960 4.000 3.902 3.744 3.963 . 0 0 "[ . ]" 1
116 1 8 DT H2'' 1 9 DA H8 2.860 2.300 3.220 2.321 2.298 2.338 0.002 8 0 "[ . ]" 1
117 1 8 DT H3' 1 9 DA H8 4.460 3.660 5.260 4.960 4.847 5.125 . 0 0 "[ . ]" 1
118 1 8 DT H4' 1 9 DA H8 4.190 3.560 4.940 5.038 5.007 5.072 0.132 9 0 "[ . ]" 1
119 1 8 DT H1' 1 9 DA H4' 4.040 3.430 5.030 4.461 4.262 4.687 . 0 0 "[ . ]" 1
120 1 9 DA H1' 1 9 DA H8 3.340 2.940 3.740 3.766 3.755 3.779 0.039 7 0 "[ . ]" 1
121 1 9 DA H2' 1 9 DA H8 2.340 . 2.720 2.098 2.078 2.118 . 0 0 "[ . ]" 1
122 1 9 DA H2'' 1 9 DA H8 2.710 2.380 3.560 3.631 3.614 3.642 0.082 3 0 "[ . ]" 1
123 1 9 DA H3' 1 9 DA H8 3.330 2.830 4.080 3.853 3.761 3.906 . 0 0 "[ . ]" 1
124 1 9 DA H4' 1 9 DA H8 4.350 3.530 5.170 4.437 4.349 4.509 . 0 0 "[ . ]" 1
125 1 9 DA Q5' 1 9 DA H8 3.980 3.260 4.770 3.404 3.318 3.541 . 0 0 "[ . ]" 1
126 1 9 DA H1' 1 9 DA H2' 2.650 2.330 3.170 2.966 2.956 2.975 . 0 0 "[ . ]" 1
127 1 9 DA H1' 1 9 DA H2'' 2.360 2.080 2.740 2.095 2.086 2.101 . 0 0 "[ . ]" 1
128 1 9 DA H1' 1 9 DA H3' 3.270 2.780 3.760 3.751 3.721 3.779 0.019 6 0 "[ . ]" 1
129 1 9 DA H1' 1 9 DA H4' 3.000 2.640 3.360 3.295 3.256 3.329 . 0 0 "[ . ]" 1
130 1 9 DA H2' 1 9 DA H4' 3.310 2.710 3.910 3.612 3.607 3.618 . 0 0 "[ . ]" 1
131 1 9 DA H2'' 1 9 DA H4' 3.390 2.880 3.900 3.749 3.716 3.779 . 0 0 "[ . ]" 1
132 1 9 DA H2' 1 9 DA H3' 2.250 . 2.620 2.117 2.103 2.128 . 0 0 "[ . ]" 1
133 1 9 DA H2 2 4 DA H2 3.360 2.690 3.900 3.043 2.895 3.172 . 0 0 "[ . ]" 1
134 1 9 DA H1' 1 9 DA H2 4.020 3.420 4.620 4.610 4.571 4.633 0.013 2 0 "[ . ]" 1
135 1 9 DA H2 2 4 DA H1' 4.150 3.550 4.750 4.390 4.118 4.682 . 0 0 "[ . ]" 1
136 1 9 DA H2 1 10 DC H1' 3.850 3.250 4.450 4.101 3.899 4.385 . 0 0 "[ . ]" 1
137 1 9 DA H8 1 10 DC H6 4.040 3.490 4.590 4.546 4.490 4.602 0.012 2 0 "[ . ]" 1
138 1 9 DA H8 1 10 DC H5 3.480 2.980 3.980 3.188 3.097 3.262 . 0 0 "[ . ]" 1
139 1 9 DA H1' 1 10 DC H6 3.140 2.640 3.640 3.123 3.065 3.182 . 0 0 "[ . ]" 1
140 1 9 DA H2' 1 10 DC H6 2.850 2.350 3.390 3.333 3.238 3.379 . 0 0 "[ . ]" 1
141 1 9 DA H2'' 1 10 DC H6 2.670 2.170 3.170 2.128 2.120 2.136 0.050 2 0 "[ . ]" 1
142 1 9 DA H3' 1 10 DC H6 3.760 3.200 4.520 4.590 4.580 4.605 0.085 4 0 "[ . ]" 1
143 1 9 DA H4' 1 10 DC H6 4.770 3.910 5.630 5.762 5.739 5.785 0.155 7 0 "[ . ]" 1
144 1 9 DA H1' 1 10 DC H5 3.580 3.010 4.230 4.106 4.067 4.152 . 0 0 "[ . ]" 1
145 1 9 DA H2' 1 10 DC H5 3.120 2.750 3.690 2.784 2.760 2.814 . 0 0 "[ . ]" 1
146 1 9 DA H2'' 1 10 DC H5 3.420 2.910 3.930 3.067 3.012 3.166 . 0 0 "[ . ]" 1
147 1 9 DA H3' 1 10 DC H5 4.040 3.230 4.930 4.697 4.659 4.731 . 0 0 "[ . ]" 1
148 1 9 DA Q5' 1 10 DC H5 4.810 4.210 6.100 5.630 5.597 5.671 . 0 0 "[ . ]" 1
149 1 10 DC H1' 1 10 DC H6 3.260 2.870 3.650 3.510 3.501 3.522 . 0 0 "[ . ]" 1
150 1 10 DC H2' 1 10 DC H6 2.360 . 2.750 2.026 2.017 2.036 . 0 0 "[ . ]" 1
151 1 10 DC H2'' 1 10 DC H6 2.790 2.270 3.310 3.479 3.473 3.484 0.174 6 0 "[ . ]" 1
152 1 10 DC H3' 1 10 DC H6 3.090 2.720 3.840 3.042 2.987 3.088 . 0 0 "[ . ]" 1
153 1 10 DC H4' 1 10 DC H6 3.390 2.880 4.140 4.080 4.044 4.110 . 0 0 "[ . ]" 1
154 1 10 DC Q5' 1 10 DC H6 3.820 3.250 4.570 3.738 3.717 3.768 . 0 0 "[ . ]" 1
155 1 10 DC H5 1 10 DC Q5' 4.810 4.210 6.100 5.531 5.508 5.554 . 0 0 "[ . ]" 1
156 1 10 DC H1' 1 10 DC H2' 2.740 2.330 3.150 2.940 2.938 2.943 . 0 0 "[ . ]" 1
157 1 10 DC H1' 1 10 DC H2'' 2.300 2.020 2.680 2.096 2.089 2.103 . 0 0 "[ . ]" 1
158 1 10 DC H1' 1 10 DC H3' 3.450 2.830 4.070 3.722 3.702 3.749 . 0 0 "[ . ]" 1
159 1 10 DC H1' 1 10 DC H4' 2.700 2.380 3.320 2.595 2.581 2.610 . 0 0 "[ . ]" 1
160 1 10 DC H1' 1 10 DC H5 4.480 3.990 5.470 5.356 5.347 5.366 . 0 0 "[ . ]" 1
161 1 10 DC H2' 1 10 DC H5 3.500 2.970 4.030 3.957 3.942 3.966 . 0 0 "[ . ]" 1
162 1 10 DC H2'' 1 10 DC H5 4.330 3.550 5.310 5.407 5.391 5.425 0.115 6 0 "[ . ]" 1
163 1 10 DC H3' 1 10 DC H5 4.220 3.590 5.170 5.276 5.217 5.321 0.151 1 0 "[ . ]" 1
164 1 10 DC H2' 1 10 DC H3' 2.470 2.070 2.870 2.054 2.050 2.063 0.020 1 0 "[ . ]" 1
165 1 10 DC H2'' 1 10 DC H3' 2.640 2.220 3.060 2.736 2.716 2.750 . 0 0 "[ . ]" 1
166 1 10 DC H6 1 11 DC H6 3.960 3.470 4.450 4.500 4.490 4.520 0.070 4 0 "[ . ]" 1
167 1 10 DC H5 1 11 DC H5 3.370 2.860 3.880 3.748 3.653 3.838 . 0 0 "[ . ]" 1
168 1 10 DC H6 1 11 DC H5 3.400 2.890 3.910 3.433 3.396 3.492 . 0 0 "[ . ]" 1
169 1 10 DC H1' 1 11 DC H6 3.380 2.970 3.790 3.405 3.354 3.466 . 0 0 "[ . ]" 1
170 1 10 DC H2' 1 11 DC H6 3.000 2.640 3.560 3.008 2.982 3.024 . 0 0 "[ . ]" 1
171 1 10 DC H2'' 1 11 DC H6 2.900 2.250 3.250 2.199 2.193 2.208 0.057 4 0 "[ . ]" 1
172 1 10 DC H3' 1 11 DC H6 3.780 3.210 4.530 4.659 4.646 4.667 0.137 5 0 "[ . ]" 1
173 1 10 DC H4' 1 11 DC H6 4.870 3.990 5.750 5.471 5.398 5.524 . 0 0 "[ . ]" 1
174 1 10 DC H1' 1 11 DC H5 3.190 2.810 4.140 4.315 4.295 4.348 0.208 1 0 "[ . ]" 1
175 1 10 DC H2' 1 11 DC H5 3.240 2.740 3.740 2.715 2.695 2.733 0.045 1 0 "[ . ]" 1
176 1 10 DC H2'' 1 11 DC H5 3.060 2.560 3.560 3.335 3.309 3.359 . 0 0 "[ . ]" 1
177 1 10 DC H3' 1 11 DC H5 3.880 3.300 4.660 4.724 4.688 4.750 0.090 9 0 "[ . ]" 1
178 1 11 DC H1' 1 11 DC H6 3.210 2.830 3.590 3.610 3.605 3.613 0.023 1 0 "[ . ]" 1
179 1 11 DC Q2' 1 11 DC H6 2.680 2.360 3.100 2.116 2.096 2.137 0.264 4 0 "[ . ]" 1
180 1 11 DC H3' 1 11 DC H6 2.930 2.490 3.680 2.512 2.483 2.544 0.007 6 0 "[ . ]" 1
181 1 11 DC H4' 1 11 DC H6 3.480 2.960 4.230 4.251 4.234 4.265 0.035 6 0 "[ . ]" 1
182 1 11 DC Q5' 1 11 DC H6 4.130 3.510 4.880 4.142 4.091 4.191 . 0 0 "[ . ]" 1
183 1 11 DC H1' 1 11 DC Q2' 2.480 2.180 2.980 2.187 2.170 2.200 0.010 5 0 "[ . ]" 1
184 1 11 DC H1' 1 11 DC H3' 3.280 2.790 3.770 3.824 3.817 3.831 0.061 2 0 "[ . ]" 1
185 1 11 DC H1' 1 11 DC H4' 2.910 2.470 3.350 2.682 2.660 2.706 . 0 0 "[ . ]" 1
186 1 11 DC Q2' 1 11 DC H5 3.670 3.230 4.620 3.864 3.854 3.873 . 0 0 "[ . ]" 1
187 1 11 DC H3' 1 11 DC H5 4.070 3.460 4.820 4.716 4.689 4.753 . 0 0 "[ . ]" 1
188 1 11 DC Q2' 1 11 DC H3' 2.750 2.420 3.280 2.121 2.104 2.137 0.316 7 0 "[ . ]" 1
189 1 11 DC H1' 1 11 DC H5 4.480 3.880 5.470 5.368 5.361 5.375 . 0 0 "[ . ]" 1
190 2 1 DG H1' 2 1 DG H8 3.450 3.020 3.880 3.837 3.821 3.879 . 0 0 "[ . ]" 1
191 2 1 DG H2' 2 1 DG H8 2.420 2.130 2.710 2.260 2.242 2.287 . 0 0 "[ . ]" 1
192 2 1 DG H2'' 2 1 DG H8 2.840 2.500 3.340 3.429 3.381 3.481 0.141 7 0 "[ . ]" 1
193 2 1 DG H3' 2 1 DG H8 3.760 3.200 4.520 4.498 4.456 4.567 0.047 4 0 "[ . ]" 1
194 2 1 DG H4' 2 1 DG H8 4.100 3.480 4.820 4.899 4.786 4.936 0.116 8 0 "[ . ]" 1
195 2 1 DG Q5' 2 1 DG H8 4.140 3.520 4.860 4.218 3.782 4.315 . 0 0 "[ . ]" 1
196 2 1 DG H1' 2 1 DG H2' 2.730 2.320 3.230 3.049 3.033 3.059 . 0 0 "[ . ]" 1
197 2 1 DG H1' 2 1 DG H2'' 2.490 2.190 2.990 2.464 2.447 2.480 . 0 0 "[ . ]" 1
198 2 1 DG H1' 2 1 DG H3' 3.760 3.200 4.320 3.736 3.678 3.773 . 0 0 "[ . ]" 1
199 2 1 DG H1' 2 1 DG H4' 3.030 2.580 3.530 2.969 2.897 3.128 . 0 0 "[ . ]" 1
200 2 1 DG H1' 2 1 DG Q5' 4.360 3.710 5.110 4.184 4.156 4.204 . 0 0 "[ . ]" 1
201 2 1 DG H2' 2 1 DG H3' 2.480 2.180 2.980 2.354 2.322 2.388 . 0 0 "[ . ]" 1
202 2 1 DG H2'' 2 1 DG H3' 2.710 2.300 3.210 2.758 2.721 2.788 . 0 0 "[ . ]" 1
203 2 1 DG H2' 2 1 DG Q5' 3.840 3.150 4.590 3.365 3.088 3.466 0.062 5 0 "[ . ]" 1
204 2 1 DG H2'' 2 1 DG Q5' 4.650 3.810 5.490 4.375 4.223 4.433 . 0 0 "[ . ]" 1
205 2 1 DG H1' 2 2 DG H8 3.200 2.820 3.580 2.862 2.804 2.940 0.016 2 0 "[ . ]" 1
206 2 1 DG H3' 2 2 DG H8 4.010 3.410 4.760 4.433 4.211 4.694 . 0 0 "[ . ]" 1
207 2 1 DG H4' 2 2 DG H8 4.510 3.910 5.260 5.090 4.901 5.360 0.100 5 0 "[ . ]" 1
208 2 1 DG Q5' 2 2 DG H8 5.500 4.510 6.490 5.906 5.852 6.011 . 0 0 "[ . ]" 1
209 2 2 DG H1' 2 2 DG H8 3.350 2.940 3.760 3.795 3.762 3.830 0.070 7 0 "[ . ]" 1
210 2 2 DG H2' 2 2 DG H8 2.510 . 2.830 2.199 2.155 2.246 . 0 0 "[ . ]" 1
211 2 2 DG H2'' 2 2 DG H8 2.820 2.480 3.360 3.469 3.405 3.544 0.184 7 0 "[ . ]" 1
212 2 2 DG H3' 2 2 DG H8 3.300 2.800 4.050 4.027 3.835 4.091 0.041 4 0 "[ . ]" 1
213 2 2 DG H4' 2 2 DG H8 4.480 3.670 5.290 4.765 4.563 4.963 . 0 0 "[ . ]" 1
214 2 2 DG Q5' 2 2 DG H8 4.250 3.500 5.240 3.990 3.360 4.402 0.140 1 0 "[ . ]" 1
215 2 2 DG H1' 2 2 DG H2' 2.690 2.370 3.210 3.014 2.995 3.030 . 0 0 "[ . ]" 1
216 2 2 DG H1' 2 2 DG H2'' 2.360 . 2.740 2.236 2.210 2.291 . 0 0 "[ . ]" 1
217 2 2 DG H1' 2 2 DG H3' 3.280 2.890 3.670 3.680 3.641 3.735 0.065 7 0 "[ . ]" 1
218 2 2 DG H1' 2 2 DG H4' 2.990 2.630 3.350 3.061 2.782 3.330 . 0 0 "[ . ]" 1
219 2 2 DG H2' 2 2 DG H3' 2.340 . 2.780 2.005 1.973 2.032 0.027 7 0 "[ . ]" 1
220 2 2 DG H2'' 2 2 DG H3' 2.420 2.030 2.910 2.579 2.542 2.613 . 0 0 "[ . ]" 1
221 2 2 DG H2' 2 2 DG H4' 3.230 2.650 3.810 3.599 3.525 3.644 . 0 0 "[ . ]" 1
222 2 2 DG H2'' 2 2 DG H4' 3.460 2.940 3.980 3.829 3.733 3.989 0.009 1 0 "[ . ]" 1
223 2 2 DG H8 2 3 DT H6 4.080 3.340 4.880 4.713 4.489 4.912 0.032 5 0 "[ . ]" 1
224 2 2 DG H1' 2 3 DT H6 3.250 2.780 3.720 3.398 3.085 3.789 0.069 6 0 "[ . ]" 1
225 2 2 DG H2' 2 3 DT H6 2.960 2.600 3.520 3.646 3.590 3.699 0.179 8 0 "[ . ]" 1
226 2 2 DG H2'' 2 3 DT H6 2.790 2.250 3.330 2.165 2.126 2.231 0.124 5 0 "[ . ]" 1
227 2 2 DG H3' 2 3 DT H6 4.130 3.390 4.870 4.605 4.469 4.831 . 0 0 "[ . ]" 1
228 2 2 DG H4' 2 3 DT H6 4.980 4.080 5.880 5.783 5.637 5.897 0.017 5 0 "[ . ]" 1
229 2 3 DT H1' 2 3 DT H6 2.970 2.610 3.530 3.575 3.513 3.607 0.077 7 0 "[ . ]" 1
230 2 3 DT H2' 2 3 DT H6 2.440 . 2.940 1.990 1.937 2.041 0.003 1 0 "[ . ]" 1
231 2 3 DT H2'' 2 3 DT H6 2.920 2.380 3.460 3.214 2.828 3.527 0.067 7 0 "[ . ]" 1
232 2 3 DT H3' 2 3 DT H6 3.730 3.170 4.480 4.033 3.593 4.274 . 0 0 "[ . ]" 1
233 2 3 DT H4' 2 3 DT H6 3.830 3.140 4.580 4.634 4.491 4.744 0.164 6 0 "[ . ]" 1
234 2 3 DT H1' 2 3 DT H2' 2.700 2.380 3.220 3.004 2.974 3.033 . 0 0 "[ . ]" 1
235 2 3 DT H1' 2 3 DT H2'' 2.470 2.170 2.770 2.356 2.153 2.497 0.017 8 0 "[ . ]" 1
236 2 3 DT H1' 2 3 DT H3' 3.650 2.910 4.390 3.705 3.596 3.869 . 0 0 "[ . ]" 1
237 2 3 DT H1' 2 3 DT H4' 2.810 2.470 3.450 2.574 2.451 2.828 0.019 8 0 "[ . ]" 1
238 2 3 DT H2' 2 3 DT H3' 2.240 . 2.610 2.234 2.158 2.316 . 0 0 "[ . ]" 1
239 2 3 DT H2'' 2 3 DT H3' 2.610 2.300 3.020 2.625 2.505 2.797 . 0 0 "[ . ]" 1
240 2 3 DT H6 2 4 DA H8 3.980 3.380 4.580 4.624 4.472 4.749 0.169 6 0 "[ . ]" 1
241 2 3 DT H1' 2 4 DA H8 3.650 3.200 4.100 3.578 3.154 4.151 0.051 8 0 "[ . ]" 1
242 2 3 DT H2' 2 4 DA H8 3.690 3.250 4.230 3.789 3.174 4.241 0.076 7 0 "[ . ]" 1
243 2 3 DT H2'' 2 4 DA H8 3.100 2.350 3.600 2.430 2.389 2.469 . 0 0 "[ . ]" 1
244 2 3 DT H3' 2 4 DA H8 3.810 3.240 4.560 4.719 4.605 4.854 0.294 1 0 "[ . ]" 1
245 2 3 DT H4' 2 4 DA H8 4.580 3.760 5.400 5.508 5.401 5.645 0.245 7 0 "[ . ]" 1
246 2 4 DA H1' 2 4 DA H8 3.430 3.000 3.860 3.788 3.735 3.828 . 0 0 "[ . ]" 1
247 2 4 DA H2' 2 4 DA H8 2.340 . 2.720 2.009 1.959 2.057 0.001 4 0 "[ . ]" 1
248 2 4 DA H2'' 2 4 DA H8 2.790 2.270 3.310 3.315 3.190 3.450 0.140 5 0 "[ . ]" 1
249 2 4 DA H3' 2 4 DA H8 3.240 2.750 3.990 4.046 3.929 4.110 0.120 7 0 "[ . ]" 1
250 2 4 DA H4' 2 4 DA H8 4.960 4.070 5.850 5.000 4.834 5.129 . 0 0 "[ . ]" 1
251 2 4 DA Q5' 2 4 DA H8 4.440 3.660 5.220 4.501 4.219 4.742 . 0 0 "[ . ]" 1
252 2 4 DA H1' 2 4 DA H2' 2.790 2.480 3.300 3.013 2.993 3.030 . 0 0 "[ . ]" 1
253 2 4 DA H1' 2 4 DA H2'' 2.440 2.050 2.730 2.292 2.234 2.328 . 0 0 "[ . ]" 1
254 2 4 DA H1' 2 4 DA H3' 3.320 2.820 3.820 3.802 3.755 3.844 0.024 5 0 "[ . ]" 1
255 2 4 DA H1' 2 4 DA H4' 2.870 2.530 3.410 3.010 2.753 3.084 . 0 0 "[ . ]" 1
256 2 4 DA H1' 2 4 DA H2 4.250 3.600 4.900 4.516 4.432 4.567 . 0 0 "[ . ]" 1
257 2 4 DA H2 2 5 DG H1' 4.250 3.600 5.000 4.975 4.865 5.056 0.056 8 0 "[ . ]" 1
258 2 4 DA H8 2 5 DG H8 3.750 3.120 4.500 4.619 4.529 4.710 0.210 7 0 "[ . ]" 1
259 2 4 DA H1' 2 5 DG H8 3.270 2.880 4.020 3.331 3.000 3.744 . 0 0 "[ . ]" 1
260 2 4 DA H3' 2 5 DG H8 3.930 3.220 4.680 4.757 4.634 4.890 0.210 3 0 "[ . ]" 1
261 2 4 DA H4' 2 5 DG H8 4.960 4.140 5.780 5.664 5.457 5.866 0.086 8 0 "[ . ]" 1
262 2 5 DG H1' 2 5 DG H8 3.280 2.890 3.670 3.729 3.721 3.735 0.065 9 0 "[ . ]" 1
263 2 5 DG H2' 2 5 DG H8 2.380 . 2.770 2.258 2.246 2.269 . 0 0 "[ . ]" 1
264 2 5 DG H2'' 2 5 DG H8 2.860 2.540 3.810 3.829 3.818 3.838 0.028 3 0 "[ . ]" 1
265 2 5 DG H3' 2 5 DG H8 3.610 3.070 4.360 3.272 3.137 3.366 . 0 0 "[ . ]" 1
266 2 5 DG H4' 2 5 DG H8 4.560 3.740 5.380 4.585 4.559 4.609 . 0 0 "[ . ]" 1
267 2 5 DG Q5' 2 5 DG H8 4.290 3.520 5.060 4.556 4.474 4.598 . 0 0 "[ . ]" 1
268 2 5 DG H1' 2 5 DG H2' 2.580 2.270 3.080 2.872 2.863 2.879 . 0 0 "[ . ]" 1
269 2 5 DG H1' 2 5 DG H2'' 2.490 2.190 2.790 2.240 2.230 2.250 . 0 0 "[ . ]" 1
270 2 5 DG H1' 2 5 DG H3' 3.380 2.870 3.890 3.912 3.903 3.921 0.031 2 0 "[ . ]" 1
271 2 5 DG H1' 2 5 DG H4' 2.860 2.530 3.390 2.521 2.502 2.541 0.028 4 0 "[ . ]" 1
272 2 5 DG H1' 3 1 BPJ H5 3.890 3.240 4.540 3.317 3.222 3.457 0.018 3 0 "[ . ]" 1
273 2 5 DG H2' 3 1 BPJ H5 4.560 3.950 5.310 4.289 4.276 4.307 . 0 0 "[ . ]" 1
274 2 5 DG H2'' 3 1 BPJ H5 4.010 3.410 4.760 3.285 3.267 3.320 0.143 2 0 "[ . ]" 1
275 2 5 DG H1' 3 1 BPJ H7 3.100 2.480 3.780 3.337 3.303 3.373 . 0 0 "[ . ]" 1
276 2 5 DG H4' 3 1 BPJ H7 4.290 3.650 5.280 5.388 5.338 5.407 0.127 1 0 "[ . ]" 1
277 2 5 DG H3' 3 1 BPJ H7 4.990 4.090 5.890 5.171 5.133 5.212 . 0 0 "[ . ]" 1
278 2 5 DG H2' 3 1 BPJ H7 3.450 2.800 3.950 2.897 2.853 2.943 . 0 0 "[ . ]" 1
279 2 5 DG H2'' 3 1 BPJ H7 3.050 2.300 3.610 2.774 2.755 2.792 . 0 0 "[ . ]" 1
280 2 5 DG H8 3 1 BPJ H7 4.540 3.900 5.180 4.179 4.015 4.303 . 0 0 "[ . ]" 1
281 2 5 DG H8 3 1 BPJ H6 5.000 4.250 5.750 5.788 5.763 5.812 0.062 5 0 "[ . ]" 1
282 2 5 DG H8 3 1 BPJ H8 4.540 3.900 5.180 4.200 3.959 4.403 . 0 0 "[ . ]" 1
283 2 5 DG H1' 3 1 BPJ H8 4.500 3.750 5.490 5.363 5.318 5.406 . 0 0 "[ . ]" 1
284 1 7 DC H1' 3 1 BPJ H11 4.500 3.750 5.490 5.097 4.259 5.571 0.081 1 0 "[ . ]" 1
285 2 6 DC H1' 2 6 DC H6 3.760 3.010 4.510 3.732 3.703 3.752 . 0 0 "[ . ]" 1
286 2 6 DC H2' 2 6 DC H6 3.200 2.420 3.980 2.920 2.905 2.953 . 0 0 "[ . ]" 1
287 2 6 DC H2'' 2 6 DC H6 3.810 3.040 4.580 4.214 4.198 4.260 . 0 0 "[ . ]" 1
288 2 6 DC H3' 2 6 DC H6 3.900 3.330 4.650 3.674 3.472 3.846 . 0 0 "[ . ]" 1
289 2 6 DC H4' 2 6 DC H6 4.190 3.430 4.950 4.564 4.512 4.583 . 0 0 "[ . ]" 1
290 2 6 DC Q5' 2 6 DC H6 4.200 3.700 4.950 4.412 4.356 4.461 . 0 0 "[ . ]" 1
291 2 6 DC H1' 2 7 DG H8 3.550 2.910 4.190 4.069 3.862 4.136 . 0 0 "[ . ]" 1
292 2 6 DC H2' 2 7 DG H8 4.000 3.210 4.600 4.185 4.102 4.310 . 0 0 "[ . ]" 1
293 2 6 DC H2'' 2 7 DG H8 3.730 2.740 4.290 3.053 3.009 3.108 . 0 0 "[ . ]" 1
294 2 6 DC H4' 3 1 BPJ H5 3.870 3.290 4.450 3.112 3.042 3.265 0.248 2 0 "[ . ]" 1
295 2 6 DC H1' 3 1 BPJ H5 3.480 2.960 4.230 3.182 3.087 3.275 . 0 0 "[ . ]" 1
296 2 6 DC H1' 3 1 BPJ H7 3.900 3.310 4.490 3.610 3.517 3.661 . 0 0 "[ . ]" 1
297 2 6 DC H4' 3 1 BPJ H7 3.810 3.240 4.380 4.100 4.042 4.185 . 0 0 "[ . ]" 1
298 2 7 DG H1' 2 7 DG H8 3.250 2.820 3.680 3.729 3.713 3.747 0.067 6 0 "[ . ]" 1
299 2 7 DG Q2' 2 7 DG H8 2.480 2.180 2.980 1.999 1.977 2.050 0.203 7 0 "[ . ]" 1
300 2 7 DG H3' 2 7 DG H8 3.210 2.730 3.960 4.054 4.033 4.080 0.120 8 0 "[ . ]" 1
301 2 7 DG H4' 2 7 DG H8 3.780 3.100 4.760 4.642 4.587 4.732 . 0 0 "[ . ]" 1
302 2 7 DG H1' 2 7 DG Q2' 2.730 2.400 3.230 2.411 2.369 2.432 0.031 6 0 "[ . ]" 1
303 2 7 DG H1' 2 7 DG H3' 3.600 2.950 4.250 3.685 3.660 3.720 . 0 0 "[ . ]" 1
304 2 7 DG H1' 2 7 DG H4' 3.040 2.580 3.500 2.802 2.690 2.849 . 0 0 "[ . ]" 1
305 2 7 DG H1' 2 7 DG Q5' 3.510 2.980 4.460 4.096 4.077 4.103 . 0 0 "[ . ]" 1
306 2 7 DG Q2' 2 7 DG H3' 2.410 2.120 2.900 2.094 2.090 2.099 0.030 6 0 "[ . ]" 1
307 2 7 DG H8 2 8 DA H8 4.370 3.840 4.900 4.942 4.633 5.014 0.114 7 0 "[ . ]" 1
308 2 7 DG H1' 2 8 DA H8 2.970 2.610 3.330 2.989 2.880 3.288 . 0 0 "[ . ]" 1
309 2 7 DG Q2' 2 8 DA H8 2.980 2.520 3.540 2.301 2.269 2.319 0.251 6 0 "[ . ]" 1
310 2 7 DG H3' 2 8 DA H8 4.110 3.490 4.860 4.732 4.649 4.889 0.029 6 0 "[ . ]" 1
311 2 7 DG H4' 2 8 DA H8 4.890 4.010 5.770 5.349 5.158 5.723 . 0 0 "[ . ]" 1
312 2 7 DG H1' 2 8 DA H4' 4.320 3.670 5.310 4.869 4.580 5.219 . 0 0 "[ . ]" 1
313 2 7 DG H4' 3 1 BPJ H5 3.730 2.980 4.480 3.293 3.228 3.353 . 0 0 "[ . ]" 1
314 2 7 DG H4' 3 1 BPJ H7 4.700 3.710 5.990 6.159 6.150 6.187 0.197 5 0 "[ . ]" 1
315 2 8 DA H1' 2 8 DA H8 3.470 3.060 3.880 3.827 3.784 3.849 . 0 0 "[ . ]" 1
316 2 8 DA H2' 2 8 DA H8 2.460 . 2.960 2.120 2.102 2.139 . 0 0 "[ . ]" 1
317 2 8 DA H2'' 2 8 DA H8 2.820 2.400 3.570 3.624 3.608 3.650 0.080 4 0 "[ . ]" 1
318 2 8 DA H3' 2 8 DA H8 3.360 2.860 4.110 3.999 3.938 4.094 . 0 0 "[ . ]" 1
319 2 8 DA H4' 2 8 DA H8 4.580 3.760 5.400 4.459 4.403 4.555 . 0 0 "[ . ]" 1
320 2 8 DA Q5' 2 8 DA H8 3.840 3.260 4.620 3.388 3.293 3.777 . 0 0 "[ . ]" 1
321 2 8 DA H1' 2 8 DA H2' 2.760 2.350 3.170 3.013 3.009 3.018 . 0 0 "[ . ]" 1
322 2 8 DA H1' 2 8 DA H2'' 2.420 2.030 2.810 2.341 2.304 2.360 . 0 0 "[ . ]" 1
323 2 8 DA H1' 2 8 DA H3' 3.270 2.780 3.760 3.811 3.795 3.826 0.066 3 0 "[ . ]" 1
324 2 8 DA H1' 2 8 DA H4' 3.160 2.780 3.540 3.286 3.094 3.333 . 0 0 "[ . ]" 1
325 2 8 DA H2' 2 8 DA H4' 3.600 2.950 4.250 3.593 3.577 3.634 . 0 0 "[ . ]" 1
326 2 8 DA H2'' 2 8 DA H4' 3.420 2.910 4.030 3.906 3.843 3.932 . 0 0 "[ . ]" 1
327 2 8 DA H1' 2 8 DA H2 4.290 3.650 4.930 4.684 4.663 4.714 . 0 0 "[ . ]" 1
328 2 8 DA H2 2 9 DT H1' 3.880 3.320 4.440 3.987 3.648 4.152 . 0 0 "[ . ]" 1
329 1 5 DC H1' 2 8 DA H2 4.990 4.050 5.740 4.205 3.975 4.434 0.075 5 0 "[ . ]" 1
330 2 8 DA H8 2 9 DT H6 4.090 3.520 4.650 4.645 4.542 4.708 0.058 6 0 "[ . ]" 1
331 2 8 DA H1' 2 9 DT H6 3.500 3.000 4.000 3.433 3.303 3.683 . 0 0 "[ . ]" 1
332 2 8 DA H2' 2 9 DT H6 2.980 2.530 3.530 3.428 3.251 3.536 0.006 2 0 "[ . ]" 1
333 2 8 DA H2'' 2 9 DT H6 2.700 2.180 3.020 2.188 2.176 2.204 0.004 4 0 "[ . ]" 1
334 2 8 DA H3' 2 9 DT H6 4.130 3.390 4.870 4.745 4.647 4.805 . 0 0 "[ . ]" 1
335 2 8 DA H4' 2 9 DT H6 5.030 4.120 5.940 5.958 5.819 6.019 0.079 4 0 "[ . ]" 1
336 2 9 DT H1' 2 9 DT H6 3.540 3.040 4.040 3.748 3.719 3.764 . 0 0 "[ . ]" 1
337 2 9 DT H2' 2 9 DT H6 2.510 2.210 2.810 2.183 2.174 2.199 0.036 8 0 "[ . ]" 1
338 2 9 DT H2'' 2 9 DT H6 3.010 2.560 3.460 3.406 3.369 3.443 . 0 0 "[ . ]" 1
339 2 9 DT H3' 2 9 DT H6 4.570 3.820 5.320 4.312 4.253 4.414 . 0 0 "[ . ]" 1
340 2 9 DT H4' 2 9 DT H6 4.060 3.330 4.790 4.679 4.562 4.739 . 0 0 "[ . ]" 1
341 2 9 DT H1' 2 9 DT H2' 2.950 2.510 3.390 3.076 3.062 3.082 . 0 0 "[ . ]" 1
342 2 9 DT H1' 2 9 DT H2'' 2.490 2.190 2.790 2.486 2.480 2.504 . 0 0 "[ . ]" 1
343 2 9 DT H1' 2 9 DT H3' 3.860 3.400 4.320 3.779 3.711 3.810 . 0 0 "[ . ]" 1
344 2 9 DT H1' 2 9 DT H4' 2.960 2.630 3.490 2.845 2.810 2.908 . 0 0 "[ . ]" 1
345 2 9 DT H2' 2 9 DT H3' 2.480 2.180 2.780 2.333 2.307 2.388 . 0 0 "[ . ]" 1
346 2 9 DT H2'' 2 9 DT H3' 2.530 2.230 2.830 2.834 2.813 2.843 0.013 3 0 "[ . ]" 1
347 2 9 DT H2' 2 9 DT H4' 2.830 2.410 3.580 3.583 3.550 3.594 0.014 4 0 "[ . ]" 1
348 2 9 DT H6 2 10 DG H8 4.440 3.920 4.960 4.097 3.974 4.231 . 0 0 "[ . ]" 1
349 2 9 DT H1' 2 10 DG H8 4.180 3.430 4.930 3.927 3.753 4.376 . 0 0 "[ . ]" 1
350 2 9 DT H2' 2 10 DG H8 3.370 2.860 3.880 3.791 3.737 3.858 . 0 0 "[ . ]" 1
351 2 9 DT H2'' 2 10 DG H8 3.110 2.440 3.680 2.758 2.697 2.941 . 0 0 "[ . ]" 1
352 2 9 DT H1' 2 10 DG H3' 4.180 3.550 5.170 5.095 4.719 5.178 0.008 8 0 "[ . ]" 1
353 2 10 DG H1' 2 10 DG H8 3.330 2.930 3.990 3.754 3.727 3.771 . 0 0 "[ . ]" 1
354 2 10 DG H3' 2 10 DG H8 3.570 3.110 4.330 3.706 3.061 3.873 0.049 6 0 "[ . ]" 1
355 2 10 DG H4' 2 10 DG H8 3.780 3.100 4.560 4.722 4.700 4.757 0.197 2 0 "[ . ]" 1
356 2 10 DG H1' 2 10 DG H2'' 2.400 2.010 2.790 2.229 2.118 2.262 . 0 0 "[ . ]" 1
357 2 10 DG H1' 2 10 DG H2' 2.610 2.300 3.020 2.944 2.882 2.955 . 0 0 "[ . ]" 1
358 2 10 DG H1' 2 10 DG H3' 3.240 2.750 3.730 3.761 3.745 3.814 0.084 6 0 "[ . ]" 1
359 2 10 DG H1' 2 10 DG H4' 2.920 2.570 3.370 2.570 2.528 2.609 0.042 2 0 "[ . ]" 1
360 2 10 DG H1' 2 11 DG H8 3.370 2.970 4.020 3.091 2.958 3.640 0.012 4 0 "[ . ]" 1
361 2 10 DG H3' 2 11 DG H8 4.370 3.970 5.120 4.780 4.448 4.978 . 0 0 "[ . ]" 1
362 2 10 DG H1' 2 11 DG H3' 4.560 3.950 5.550 5.590 5.519 5.613 0.063 9 0 "[ . ]" 1
363 2 11 DG H1' 2 11 DG H8 3.450 2.930 3.970 3.822 3.793 3.837 . 0 0 "[ . ]" 1
364 2 11 DG H2' 2 11 DG H8 2.400 2.010 2.790 2.105 2.074 2.129 . 0 0 "[ . ]" 1
365 2 11 DG H2'' 2 11 DG H8 2.970 2.530 3.510 3.543 3.487 3.565 0.055 3 0 "[ . ]" 1
366 2 11 DG H3' 2 11 DG H8 3.380 2.870 4.130 4.139 4.116 4.167 0.037 6 0 "[ . ]" 1
367 2 11 DG H4' 2 11 DG H8 3.630 2.980 4.580 4.610 4.570 4.686 0.106 6 0 "[ . ]" 1
368 2 11 DG H1' 2 11 DG H2' 2.630 2.210 3.050 3.023 3.018 3.031 . 0 0 "[ . ]" 1
369 2 11 DG H1' 2 11 DG H2'' 2.370 . 2.850 2.232 2.230 2.235 . 0 0 "[ . ]" 1
370 2 11 DG H1' 2 11 DG H3' 3.340 2.840 3.840 3.825 3.769 3.840 0.000 7 0 "[ . ]" 1
371 2 11 DG H1' 2 11 DG H4' 3.160 2.650 3.670 3.431 3.101 3.522 . 0 0 "[ . ]" 1
372 2 11 DG H2'' 2 11 DG H3' 2.640 2.320 2.960 2.702 2.689 2.726 . 0 0 "[ . ]" 1
373 2 11 DG H2' 2 11 DG H4' 2.910 2.470 3.660 3.562 3.542 3.634 . 0 0 "[ . ]" 1
374 2 11 DG H2'' 2 11 DG H4' 3.080 2.620 3.830 3.909 3.836 3.931 0.101 7 0 "[ . ]" 1
375 3 1 BPJ H12 3 1 BPJ H2 4.300 3.530 5.070 4.800 4.769 4.830 . 0 0 "[ . ]" 1
376 3 1 BPJ H4 3 1 BPJ H5 3.000 2.600 3.400 2.593 2.568 2.629 0.032 8 0 "[ . ]" 1
377 3 1 BPJ H5 3 1 BPJ H7 3.020 2.660 3.380 2.143 2.103 2.187 0.557 9 6 "[ *-** *+]" 1
378 3 1 BPJ H7 3 1 BPJ H8 2.640 2.110 3.220 2.574 2.560 2.585 . 0 0 "[ . ]" 1
379 3 1 BPJ H8 3 1 BPJ H9 2.730 2.300 3.160 2.462 2.420 2.517 . 0 0 "[ . ]" 1
380 3 1 BPJ H10 3 1 BPJ H9 2.470 2.100 2.840 2.476 2.474 2.478 . 0 0 "[ . ]" 1
381 3 1 BPJ H11 3 1 BPJ H9 3.580 2.940 4.220 4.301 4.295 4.310 0.090 1 0 "[ . ]" 1
382 3 1 BPJ H10 3 1 BPJ H11 2.630 2.320 2.940 2.500 2.492 2.509 . 0 0 "[ . ]" 1
383 3 1 BPJ H10 3 1 BPJ H12 3.920 3.480 4.660 4.286 4.281 4.292 . 0 0 "[ . ]" 1
384 3 1 BPJ H11 3 1 BPJ H12 2.580 2.270 2.890 2.444 2.430 2.452 . 0 0 "[ . ]" 1
385 1 1 DC H5 2 10 DG H1 4.990 4.240 6.180 6.206 6.170 6.241 0.061 2 0 "[ . ]" 1
386 1 2 DC H5 2 10 DG H1 4.930 4.180 5.680 5.209 5.168 5.225 . 0 0 "[ . ]" 1
387 1 2 DC H41 2 9 DT H3 4.980 4.230 5.730 4.584 4.536 4.618 . 0 0 "[ . ]" 1
388 1 2 DC H42 2 9 DT H3 5.250 4.500 6.000 6.038 5.974 6.073 0.073 3 0 "[ . ]" 1
389 1 2 DC H41 2 10 DG H1 3.130 2.600 3.660 2.688 2.624 2.727 . 0 0 "[ . ]" 1
390 1 2 DC H42 2 10 DG H1 3.510 2.810 4.210 4.180 4.116 4.213 0.003 6 0 "[ . ]" 1
391 1 3 DA H62 2 9 DT H3 3.480 2.980 4.230 4.027 3.882 4.114 . 0 0 "[ . ]" 1
392 1 3 DA H2 2 9 DT H3 2.750 2.300 3.200 2.819 2.713 2.948 . 0 0 "[ . ]" 1
393 1 3 DA H2 2 10 DG H1 3.750 3.000 4.500 4.227 4.156 4.318 . 0 0 "[ . ]" 1
394 1 4 DT H3 1 5 DC H41 5.080 4.090 6.070 4.018 3.938 4.080 0.152 6 0 "[ . ]" 1
395 1 4 DT H3 2 7 DG H1 4.400 3.650 4.900 3.649 3.526 4.123 0.124 1 0 "[ . ]" 1
396 1 4 DT H3 2 8 DA H61 3.170 2.540 3.800 2.598 2.534 2.653 0.006 8 0 "[ . ]" 1
397 1 4 DT H3 2 8 DA H62 3.510 2.950 4.070 4.090 4.006 4.141 0.071 5 0 "[ . ]" 1
398 1 4 DT H3 2 8 DA H2 2.910 2.430 3.390 2.845 2.765 2.932 . 0 0 "[ . ]" 1
399 1 4 DT H3 2 9 DT H3 4.000 3.460 4.540 3.582 3.358 3.750 0.102 6 0 "[ . ]" 1
400 1 5 DC H41 2 7 DG H1 3.400 2.800 4.100 2.823 2.761 2.869 0.039 2 0 "[ . ]" 1
401 1 5 DC H42 2 7 DG H1 3.670 3.000 4.420 4.289 4.228 4.339 . 0 0 "[ . ]" 1
402 1 6 DG H1 1 6 DG H21 2.770 2.320 3.220 2.328 2.302 2.376 0.018 2 0 "[ . ]" 1
403 1 6 DG H1 2 6 DC H5 4.630 3.880 5.380 5.153 5.096 5.224 . 0 0 "[ . ]" 1
404 1 6 DG H1 2 6 DC H41 3.240 2.490 3.790 2.840 2.736 2.968 . 0 0 "[ . ]" 1
405 1 6 DG H1 2 6 DC H42 3.630 3.100 4.380 4.294 4.196 4.415 0.035 7 0 "[ . ]" 1
406 1 6 DG H1 2 7 DG H1 3.960 3.460 4.460 4.250 4.036 4.529 0.069 5 0 "[ . ]" 1
407 1 7 DC H5 2 5 DG H1 4.630 3.880 5.380 5.105 5.037 5.154 . 0 0 "[ . ]" 1
408 1 7 DC H41 2 5 DG H1 3.240 2.690 3.790 2.722 2.630 2.800 0.060 8 0 "[ . ]" 1
409 1 7 DC H42 2 5 DG H1 3.730 3.180 4.380 4.208 4.115 4.288 . 0 0 "[ . ]" 1
410 1 8 DT H3 1 9 DA H2 3.960 3.410 4.610 4.573 4.427 4.687 0.077 6 0 "[ . ]" 1
411 1 8 DT H3 2 4 DA H61 3.160 2.630 3.690 2.646 2.556 2.751 0.074 9 0 "[ . ]" 1
412 1 8 DT H3 2 4 DA H62 3.760 3.170 4.350 4.128 4.035 4.231 . 0 0 "[ . ]" 1
413 1 8 DT H3 2 4 DA H2 3.140 2.700 3.590 2.656 2.597 2.722 0.103 3 0 "[ . ]" 1
414 1 8 DT H3 2 5 DG H1 4.180 3.430 4.630 3.351 3.241 3.601 0.189 5 0 "[ . ]" 1
415 1 8 DT H3 2 3 DT H3 4.080 3.580 4.580 4.014 3.847 4.168 . 0 0 "[ . ]" 1
416 1 9 DA H2 2 2 DG H1 3.880 3.340 4.420 4.223 4.014 4.412 . 0 0 "[ . ]" 1
417 1 9 DA H2 2 3 DT H3 2.960 2.560 3.360 2.925 2.859 2.988 . 0 0 "[ . ]" 1
418 1 10 DC H1' 2 2 DG H1 4.180 3.340 5.020 4.951 4.795 5.022 0.002 1 0 "[ . ]" 1
419 1 10 DC H5 2 2 DG H1 4.690 3.850 5.530 5.329 5.290 5.359 . 0 0 "[ . ]" 1
420 1 10 DC H41 2 2 DG H1 2.920 2.420 3.420 2.874 2.847 2.933 . 0 0 "[ . ]" 1
421 1 10 DC H42 2 2 DG H1 3.590 3.070 4.340 4.374 4.352 4.403 0.063 2 0 "[ . ]" 1
422 1 10 DC H41 2 3 DT H3 4.860 3.940 5.780 4.725 4.577 4.788 . 0 0 "[ . ]" 1
423 1 10 DC H42 2 3 DT H3 4.770 3.820 6.060 6.077 5.915 6.132 0.072 9 0 "[ . ]" 1
424 1 11 DC H1' 2 2 DG H1 4.850 3.880 5.820 5.079 4.927 5.204 . 0 0 "[ . ]" 1
425 1 11 DC H5 2 2 DG H1 4.530 3.700 5.360 4.750 4.443 5.006 . 0 0 "[ . ]" 1
426 2 2 DG H1 2 3 DT H3 3.800 3.370 4.230 3.318 3.286 3.369 0.084 4 0 "[ . ]" 1
427 2 3 DT H1' 2 3 DT H3 5.080 4.060 6.100 4.533 4.464 4.592 . 0 0 "[ . ]" 1
428 2 3 DT H3 2 4 DA H2 4.210 3.460 4.960 4.157 3.806 4.556 . 0 0 "[ . ]" 1
429 2 4 DA H1' 2 5 DG H1 4.980 4.120 6.270 6.539 6.416 6.726 0.456 5 0 "[ . ]" 1
430 2 7 DG H1 2 8 DA H2 4.200 3.750 4.720 3.981 3.695 4.403 0.055 2 0 "[ . ]" 1
431 2 9 DT H1' 2 9 DT H3 4.690 4.190 5.530 4.550 4.509 4.578 . 0 0 "[ . ]" 1
432 2 9 DT H3 2 10 DG H1 4.040 3.640 4.440 4.416 4.374 4.476 0.036 6 0 "[ . ]" 1
433 1 6 DG H1 3 1 BPJ H11 4.630 3.880 5.380 5.033 4.687 5.344 . 0 0 "[ . ]" 1
434 1 6 DG H1 3 1 BPJ H2 4.640 3.710 5.570 4.753 4.669 4.853 . 0 0 "[ . ]" 1
435 1 6 DG H1 3 1 BPJ H9 4.460 3.570 5.350 4.693 4.618 4.781 . 0 0 "[ . ]" 1
436 1 6 DG H1 3 1 BPJ H10 4.350 3.540 5.160 5.120 4.966 5.246 0.086 7 0 "[ . ]" 1
437 2 5 DG H1 3 1 BPJ H11 4.630 3.880 5.380 4.777 4.535 4.978 . 0 0 "[ . ]" 1
438 2 5 DG H1 3 1 BPJ H8 4.990 4.240 5.900 5.295 5.168 5.435 . 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 29
_Distance_constraint_stats_list.Viol_count 109
_Distance_constraint_stats_list.Viol_total 22.543
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.0230
_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 0.275 0.039 1 0 "[ . ]"
1 2 DC 0.076 0.025 6 0 "[ . ]"
1 3 DA 0.423 0.066 2 0 "[ . ]"
1 4 DT 0.381 0.042 7 0 "[ . ]"
1 5 DC 0.066 0.023 2 0 "[ . ]"
1 6 DG 0.032 0.009 7 0 "[ . ]"
1 7 DC 0.110 0.033 7 0 "[ . ]"
1 8 DT 0.587 0.103 9 0 "[ . ]"
1 9 DA 0.343 0.060 7 0 "[ . ]"
1 10 DC 0.117 0.030 7 0 "[ . ]"
1 11 DC 0.094 0.023 6 0 "[ . ]"
2 1 DG 0.094 0.023 6 0 "[ . ]"
2 2 DG 0.117 0.030 7 0 "[ . ]"
2 3 DT 0.343 0.060 7 0 "[ . ]"
2 4 DA 0.587 0.103 9 0 "[ . ]"
2 5 DG 0.110 0.033 7 0 "[ . ]"
2 6 DC 0.032 0.009 7 0 "[ . ]"
2 7 DG 0.066 0.023 2 0 "[ . ]"
2 8 DA 0.381 0.042 7 0 "[ . ]"
2 9 DT 0.423 0.066 2 0 "[ . ]"
2 10 DG 0.076 0.025 6 0 "[ . ]"
2 11 DG 0.275 0.039 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 H41 2 11 DG O6 1.900 . 2.000 1.903 1.826 1.985 . 0 0 "[ . ]" 2
2 1 1 DC N3 2 11 DG H1 2.000 . 2.100 1.886 1.862 1.898 . 0 0 "[ . ]" 2
3 1 1 DC O2 2 11 DG H21 2.000 . 2.100 1.819 1.811 1.832 0.039 1 0 "[ . ]" 2
4 1 2 DC H41 2 10 DG O6 1.900 . 2.000 1.757 1.745 1.777 0.005 2 0 "[ . ]" 2
5 1 2 DC N3 2 10 DG H1 2.000 . 2.100 1.868 1.861 1.876 . 0 0 "[ . ]" 2
6 1 2 DC O2 2 10 DG H21 2.000 . 2.100 1.844 1.825 1.868 0.025 6 0 "[ . ]" 2
7 1 5 DC H41 2 7 DG O6 1.900 . 2.000 1.757 1.747 1.768 0.003 1 0 "[ . ]" 2
8 1 5 DC N3 2 7 DG H1 2.000 . 2.100 1.898 1.847 1.931 0.003 2 0 "[ . ]" 2
9 1 5 DC O2 2 7 DG H21 2.000 . 2.100 1.995 1.827 2.120 0.023 2 0 "[ . ]" 2
10 1 7 DC H41 2 5 DG O6 1.900 . 2.000 1.872 1.750 1.989 . 0 0 "[ . ]" 2
11 1 7 DC N3 2 5 DG H1 2.000 . 2.100 1.898 1.870 1.915 . 0 0 "[ . ]" 2
12 1 7 DC O2 2 5 DG H21 2.000 . 2.100 1.862 1.817 1.932 0.033 7 0 "[ . ]" 2
13 1 10 DC H41 2 2 DG O6 1.900 . 2.000 1.898 1.831 1.969 . 0 0 "[ . ]" 2
14 1 10 DC N3 2 2 DG H1 2.000 . 2.100 1.927 1.877 1.962 . 0 0 "[ . ]" 2
15 1 10 DC O2 2 2 DG H21 2.000 . 2.100 1.839 1.820 1.859 0.030 7 0 "[ . ]" 2
16 1 11 DC H41 2 1 DG O6 1.900 . 2.000 1.755 1.739 1.792 0.011 1 0 "[ . ]" 2
17 1 11 DC N3 2 1 DG H1 2.000 . 2.100 1.871 1.849 1.914 0.001 4 0 "[ . ]" 2
18 1 11 DC O2 2 1 DG H21 2.000 . 2.100 1.858 1.827 1.953 0.023 6 0 "[ . ]" 2
19 1 6 DG O6 2 6 DC H41 1.900 . 2.000 1.778 1.763 1.804 . 0 0 "[ . ]" 2
20 1 6 DG H1 2 6 DC N3 2.000 . 2.100 1.888 1.859 1.922 . 0 0 "[ . ]" 2
21 1 6 DG H21 2 6 DC O2 2.000 . 2.100 2.077 2.022 2.109 0.009 7 0 "[ . ]" 2
22 1 3 DA N1 2 9 DT H3 2.100 . 2.300 1.923 1.884 1.942 0.066 2 0 "[ . ]" 2
23 1 3 DA H61 2 9 DT O4 2.000 . 2.200 1.830 1.819 1.846 0.031 6 0 "[ . ]" 2
24 1 9 DA N1 2 3 DT H3 2.100 . 2.300 1.922 1.890 1.942 0.060 7 0 "[ . ]" 2
25 1 9 DA H61 2 3 DT O4 2.000 . 2.200 1.840 1.823 1.849 0.027 8 0 "[ . ]" 2
26 1 4 DT H3 2 8 DA N1 2.100 . 2.300 1.949 1.914 1.986 0.036 6 0 "[ . ]" 2
27 1 4 DT O4 2 8 DA H61 2.000 . 2.200 1.817 1.808 1.839 0.042 7 0 "[ . ]" 2
28 1 8 DT H3 2 4 DA N1 2.100 . 2.300 1.885 1.847 1.931 0.103 9 0 "[ . ]" 2
29 1 8 DT O4 2 4 DA H61 2.000 . 2.200 2.022 1.859 2.174 . 0 0 "[ . ]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, June 22, 2024 10:26:53 AM GMT (wattos1)