NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385901 |
1las   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1las
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 171
_Distance_constraint_stats_list.Viol_count 35
_Distance_constraint_stats_list.Viol_total 1.948
_Distance_constraint_stats_list.Viol_max 0.290
_Distance_constraint_stats_list.Viol_rms 0.0383
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.0557
_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 0.083 0.038 1 0 "[ ]"
1 2 DG 0.163 0.052 1 0 "[ ]"
1 3 DC 0.094 0.036 1 0 "[ ]"
1 4 DG 0.036 0.036 1 0 "[ ]"
1 5 DG 0.012 0.012 1 0 "[ ]"
1 6 DT 0.305 0.231 1 0 "[ ]"
1 7 P 0.236 0.231 1 0 "[ ]"
1 8 DT 0.000 0.000 . 0 "[ ]"
1 9 DC 0.191 0.122 1 0 "[ ]"
1 10 DC 0.006 0.006 1 0 "[ ]"
1 11 DG 0.033 0.027 1 0 "[ ]"
1 12 DC 0.027 0.027 1 0 "[ ]"
1 13 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.051 0.030 1 0 "[ ]"
2 2 DG 0.100 0.038 1 0 "[ ]"
2 3 DC 0.086 0.058 1 0 "[ ]"
2 4 DG 0.069 0.058 1 0 "[ ]"
2 5 DG 0.009 0.009 1 0 "[ ]"
2 6 DA 0.009 0.009 1 0 "[ ]"
2 7 DNR 0.233 0.123 1 0 "[ ]"
2 8 DA 0.840 0.290 1 0 "[ ]"
2 9 DC 0.267 0.240 1 0 "[ ]"
2 10 DC 0.018 0.018 1 0 "[ ]"
2 11 DG 0.035 0.035 1 0 "[ ]"
2 12 DC 0.146 0.111 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 3.020 2.360 3.680 3.711 3.711 3.711 0.031 1 0 "[ ]" 1
2 1 1 DC H2' 1 1 DC H6 2.820 2.200 3.430 2.210 2.210 2.210 . 0 0 "[ ]" 1
3 1 1 DC H3' 1 1 DC H6 3.600 2.710 4.490 3.843 3.843 3.843 . 0 0 "[ ]" 1
4 1 1 DC H4' 1 1 DC H6 4.170 3.110 5.240 4.238 4.238 4.238 . 0 0 "[ ]" 1
5 1 1 DC Q5' 1 1 DC H6 2.650 . 3.320 3.006 3.006 3.006 . 0 0 "[ ]" 1
6 1 1 DC H1' 1 1 DC Q5' 4.880 3.950 5.810 4.338 4.338 4.338 . 0 0 "[ ]" 1
7 1 1 DC H2' 1 1 DC H3' 2.350 2.100 2.600 2.321 2.321 2.321 . 0 0 "[ ]" 1
8 1 1 DC H2' 1 1 DC Q5' 3.310 2.610 4.020 3.351 3.351 3.351 . 0 0 "[ ]" 1
9 1 1 DC H2'' 1 1 DC Q5' 4.070 3.130 5.020 4.316 4.316 4.316 . 0 0 "[ ]" 1
10 1 1 DC H3' 1 1 DC Q5' 2.940 2.090 3.790 2.373 2.373 2.373 . 0 0 "[ ]" 1
11 1 1 DC H1' 1 2 DG H8 2.990 2.220 3.750 3.334 3.334 3.334 . 0 0 "[ ]" 1
12 1 1 DC H2' 1 2 DG H8 3.470 3.000 3.940 3.724 3.724 3.724 . 0 0 "[ ]" 1
13 1 1 DC H2'' 1 2 DG H8 2.690 2.290 3.090 2.252 2.252 2.252 0.038 1 0 "[ ]" 1
14 1 1 DC H3' 1 2 DG H8 3.980 3.020 4.940 4.850 4.850 4.850 . 0 0 "[ ]" 1
15 1 1 DC H6 1 2 DG H8 5.000 4.600 5.400 5.415 5.415 5.415 0.015 1 0 "[ ]" 1
16 1 2 DG H1' 1 2 DG H8 3.540 2.850 4.220 3.831 3.831 3.831 . 0 0 "[ ]" 1
17 1 2 DG H3' 1 2 DG H8 3.710 2.900 4.510 3.664 3.664 3.664 . 0 0 "[ ]" 1
18 1 2 DG H4' 1 2 DG H8 3.710 2.330 5.090 4.752 4.752 4.752 . 0 0 "[ ]" 1
19 1 2 DG H5' 1 2 DG H8 3.240 2.640 3.830 3.882 3.882 3.882 0.052 1 0 "[ ]" 1
20 1 2 DG H5'' 1 2 DG H8 3.730 2.880 4.580 4.507 4.507 4.507 . 0 0 "[ ]" 1
21 1 2 DG H8 1 3 DC H5 3.490 2.230 4.750 4.106 4.106 4.106 . 0 0 "[ ]" 1
22 1 2 DG H1' 1 3 DC H4' 5.000 4.800 5.200 4.770 4.770 4.770 0.030 1 0 "[ ]" 1
23 1 2 DG H8 1 3 DC H6 5.000 4.600 5.400 5.428 5.428 5.428 0.028 1 0 "[ ]" 1
24 1 2 DG H3' 1 3 DC H5 4.160 2.730 5.580 4.703 4.703 4.703 . 0 0 "[ ]" 1
25 1 3 DC H1' 1 3 DC H6 2.960 2.100 3.830 3.729 3.729 3.729 . 0 0 "[ ]" 1
26 1 3 DC H3' 1 3 DC H6 3.380 2.180 4.590 3.567 3.567 3.567 . 0 0 "[ ]" 1
27 1 3 DC H2' 1 4 DG H8 3.420 3.000 3.840 3.134 3.134 3.134 . 0 0 "[ ]" 1
28 1 3 DC H2'' 1 4 DG H8 2.650 2.300 3.000 2.264 2.264 2.264 0.036 1 0 "[ ]" 1
29 1 3 DC H6 1 4 DG H8 5.000 4.600 5.400 4.752 4.752 4.752 . 0 0 "[ ]" 1
30 1 4 DG H3' 1 4 DG H8 3.320 2.060 4.570 4.113 4.113 4.113 . 0 0 "[ ]" 1
31 1 4 DG H4' 1 4 DG H8 5.130 3.970 6.290 4.990 4.990 4.990 . 0 0 "[ ]" 1
32 1 4 DG H1' 1 4 DG H3' 2.930 . 4.070 3.888 3.888 3.888 . 0 0 "[ ]" 1
33 1 4 DG H1' 1 4 DG H4' 3.380 2.500 4.260 3.379 3.379 3.379 . 0 0 "[ ]" 1
34 1 4 DG H1' 1 5 DG H4' 5.000 4.800 5.200 4.994 4.994 4.994 . 0 0 "[ ]" 1
35 1 4 DG H1' 1 5 DG H8 3.020 2.190 3.850 3.392 3.392 3.392 . 0 0 "[ ]" 1
36 1 4 DG H3' 1 5 DG H8 3.860 2.850 4.870 4.790 4.790 4.790 . 0 0 "[ ]" 1
37 1 4 DG H8 1 5 DG H8 5.000 4.600 5.400 5.209 5.209 5.209 . 0 0 "[ ]" 1
38 1 5 DG H3' 1 5 DG H8 4.010 3.250 4.770 3.784 3.784 3.784 . 0 0 "[ ]" 1
39 1 5 DG Q5' 1 5 DG H8 3.760 2.790 4.730 3.796 3.796 3.796 . 0 0 "[ ]" 1
40 1 5 DG H1' 1 5 DG H3' 3.270 2.210 4.330 3.973 3.973 3.973 . 0 0 "[ ]" 1
41 1 5 DG H2' 1 5 DG H4' 3.010 . 4.260 3.935 3.935 3.935 . 0 0 "[ ]" 1
42 1 5 DG H2' 1 6 DT H6 3.490 3.000 3.980 3.617 3.617 3.617 . 0 0 "[ ]" 1
43 1 5 DG H3' 1 6 DT H6 4.330 3.540 5.120 4.730 4.730 4.730 . 0 0 "[ ]" 1
44 1 5 DG H8 1 6 DT H6 5.000 4.600 5.400 5.412 5.412 5.412 0.012 1 0 "[ ]" 1
45 1 6 DT H2' 1 6 DT H6 2.480 2.270 2.690 2.235 2.235 2.235 0.035 1 0 "[ ]" 1
46 1 6 DT H3' 1 6 DT H6 3.520 2.370 4.670 3.674 3.674 3.674 . 0 0 "[ ]" 1
47 1 6 DT H4' 1 6 DT H6 3.510 2.430 4.590 4.551 4.551 4.551 . 0 0 "[ ]" 1
48 1 6 DT Q5' 1 6 DT H6 3.640 2.900 4.380 3.742 3.742 3.742 . 0 0 "[ ]" 1
49 1 6 DT H1' 1 6 DT H2' 2.630 2.200 3.060 2.980 2.980 2.980 . 0 0 "[ ]" 1
50 1 6 DT H2' 1 6 DT H3' 2.550 2.220 2.880 2.263 2.263 2.263 . 0 0 "[ ]" 1
51 1 6 DT H2'' 1 6 DT H3' 2.500 2.250 2.750 2.772 2.772 2.772 0.022 1 0 "[ ]" 1
52 1 6 DT H2' 1 6 DT H4' 3.400 2.220 4.580 3.934 3.934 3.934 . 0 0 "[ ]" 1
53 1 6 DT H6 1 7 P H6A1 4.390 3.740 5.040 3.509 3.509 3.509 0.231 1 0 "[ ]" 1
54 1 6 DT H6 1 7 P H8A2 2.900 . 3.840 2.574 2.574 2.574 . 0 0 "[ ]" 1
55 1 6 DT H6 1 7 P H7A2 3.780 2.830 4.730 4.735 4.735 4.735 0.005 1 0 "[ ]" 1
56 1 7 P H8 2 8 DA H2 3.250 2.510 3.980 3.456 3.456 3.456 . 0 0 "[ ]" 1
57 1 8 DT H1' 1 8 DT H3' 3.150 . 4.500 3.946 3.946 3.946 . 0 0 "[ ]" 1
58 1 8 DT H3' 1 9 DC H5 4.240 2.830 5.650 4.698 4.698 4.698 . 0 0 "[ ]" 1
59 1 9 DC H2' 1 9 DC H6 2.580 2.170 2.980 2.120 2.120 2.120 0.050 1 0 "[ ]" 1
60 1 9 DC H3' 1 9 DC H6 3.450 2.440 4.460 3.477 3.477 3.477 . 0 0 "[ ]" 1
61 1 9 DC H1' 1 9 DC H2' 2.370 . 2.920 2.939 2.939 2.939 0.019 1 0 "[ ]" 1
62 1 9 DC H2' 1 9 DC H4' 2.880 . 3.780 3.902 3.902 3.902 0.122 1 0 "[ ]" 1
63 1 9 DC H1' 1 10 DC H4' 5.000 4.800 5.200 5.066 5.066 5.066 . 0 0 "[ ]" 1
64 1 10 DC H2' 1 10 DC H4' 3.670 2.750 4.590 3.935 3.935 3.935 . 0 0 "[ ]" 1
65 1 10 DC H1' 1 11 DG H4' 5.000 4.800 5.200 4.794 4.794 4.794 0.006 1 0 "[ ]" 1
66 1 11 DG H3' 1 11 DG H8 3.730 2.860 4.600 3.783 3.783 3.783 . 0 0 "[ ]" 1
67 1 11 DG H4' 1 11 DG H8 4.160 2.880 5.440 4.837 4.837 4.837 . 0 0 "[ ]" 1
68 1 11 DG H1' 1 12 DC H4' 5.000 4.800 5.200 4.773 4.773 4.773 0.027 1 0 "[ ]" 1
69 1 11 DG H3' 1 12 DC H5 4.560 3.270 5.850 4.639 4.639 4.639 . 0 0 "[ ]" 1
70 1 12 DC H1' 1 12 DC H6 3.170 2.250 4.090 3.732 3.732 3.732 . 0 0 "[ ]" 1
71 1 12 DC H2' 1 12 DC H5 3.500 2.100 4.910 4.187 4.187 4.187 . 0 0 "[ ]" 1
72 1 12 DC H1' 1 12 DC H3' 3.020 2.030 4.020 3.977 3.977 3.977 . 0 0 "[ ]" 1
73 1 12 DC H1' 1 13 DG H8 3.450 2.740 4.160 3.988 3.988 3.988 . 0 0 "[ ]" 1
74 1 12 DC H2' 1 13 DG H8 3.510 3.000 4.020 3.393 3.393 3.393 . 0 0 "[ ]" 1
75 1 13 DG H1' 1 13 DG H8 3.430 2.550 4.310 3.840 3.840 3.840 . 0 0 "[ ]" 1
76 1 13 DG H3' 1 13 DG H8 3.300 2.340 4.260 4.032 4.032 4.032 . 0 0 "[ ]" 1
77 1 13 DG H1' 1 13 DG H2' 2.490 . 3.020 2.986 2.986 2.986 . 0 0 "[ ]" 1
78 1 13 DG H1' 1 13 DG H2'' 2.210 2.050 2.360 2.284 2.284 2.284 . 0 0 "[ ]" 1
79 1 13 DG H1' 1 13 DG H3' 3.620 2.260 4.980 3.947 3.947 3.947 . 0 0 "[ ]" 1
80 1 13 DG H2' 1 13 DG H3' 2.400 2.210 2.590 2.298 2.298 2.298 . 0 0 "[ ]" 1
81 2 1 DC H1' 2 1 DC H6 3.180 2.340 4.020 3.727 3.727 3.727 . 0 0 "[ ]" 1
82 2 1 DC H2' 2 1 DC H6 2.330 2.080 2.580 2.074 2.074 2.074 0.006 1 0 "[ ]" 1
83 2 1 DC H3' 2 1 DC H6 3.650 2.680 4.610 3.899 3.899 3.899 . 0 0 "[ ]" 1
84 2 1 DC H4' 2 1 DC H6 4.150 3.050 5.260 4.439 4.439 4.439 . 0 0 "[ ]" 1
85 2 1 DC Q5' 2 1 DC H6 3.290 2.480 4.110 3.345 3.345 3.345 . 0 0 "[ ]" 1
86 2 1 DC H1' 2 1 DC Q5' 4.880 4.140 5.620 4.334 4.334 4.334 . 0 0 "[ ]" 1
87 2 1 DC H2' 2 1 DC H3' 2.590 2.150 3.030 2.301 2.301 2.301 . 0 0 "[ ]" 1
88 2 1 DC H2' 2 1 DC Q5' 3.330 2.640 4.010 3.339 3.339 3.339 . 0 0 "[ ]" 1
89 2 1 DC H2'' 2 1 DC Q5' 4.060 3.120 5.010 4.316 4.316 4.316 . 0 0 "[ ]" 1
90 2 1 DC H3' 2 1 DC Q5' 2.880 2.030 3.730 2.341 2.341 2.341 . 0 0 "[ ]" 1
91 2 1 DC H1' 2 2 DG H4' 5.000 4.800 5.200 4.983 4.983 4.983 . 0 0 "[ ]" 1
92 2 1 DC H1' 2 2 DG H8 3.130 2.380 3.880 3.182 3.182 3.182 . 0 0 "[ ]" 1
93 2 1 DC H2' 2 2 DG H8 3.480 3.000 3.960 3.893 3.893 3.893 . 0 0 "[ ]" 1
94 2 1 DC H2'' 2 2 DG H8 2.650 2.300 3.000 2.270 2.270 2.270 0.030 1 0 "[ ]" 1
95 2 1 DC H3' 2 2 DG H8 4.190 3.240 5.140 4.800 4.800 4.800 . 0 0 "[ ]" 1
96 2 1 DC H6 2 2 DG H8 5.000 4.600 5.400 5.415 5.415 5.415 0.015 1 0 "[ ]" 1
97 2 2 DG H1' 2 2 DG H8 3.380 2.820 3.940 3.843 3.843 3.843 . 0 0 "[ ]" 1
98 2 2 DG H3' 2 2 DG H8 3.720 2.990 4.450 3.682 3.682 3.682 . 0 0 "[ ]" 1
99 2 2 DG H4' 2 2 DG H8 3.750 2.400 5.090 4.701 4.701 4.701 . 0 0 "[ ]" 1
100 2 2 DG H5' 2 2 DG H8 3.220 2.700 3.740 3.778 3.778 3.778 0.038 1 0 "[ ]" 1
101 2 2 DG H5'' 2 2 DG H8 3.880 3.030 4.730 4.313 4.313 4.313 . 0 0 "[ ]" 1
102 2 2 DG H8 2 3 DC H5 3.650 2.550 4.750 4.392 4.392 4.392 . 0 0 "[ ]" 1
103 2 2 DG H8 2 3 DC H6 5.000 4.600 5.400 5.418 5.418 5.418 0.018 1 0 "[ ]" 1
104 2 2 DG H3' 2 3 DC H5 4.350 2.960 5.740 5.007 5.007 5.007 . 0 0 "[ ]" 1
105 2 3 DC H1' 2 3 DC H6 3.120 2.350 3.880 3.735 3.735 3.735 . 0 0 "[ ]" 1
106 2 3 DC H3' 2 3 DC H6 3.580 2.750 4.410 3.737 3.737 3.737 . 0 0 "[ ]" 1
107 2 3 DC H1' 2 4 DG H4' 5.000 4.800 5.200 4.845 4.845 4.845 . 0 0 "[ ]" 1
108 2 3 DC H1' 2 4 DG H8 3.080 2.140 4.030 3.582 3.582 3.582 . 0 0 "[ ]" 1
109 2 3 DC H2' 2 4 DG H8 3.500 3.000 4.000 3.743 3.743 3.743 . 0 0 "[ ]" 1
110 2 3 DC H2'' 2 4 DG H8 2.680 2.300 3.070 2.242 2.242 2.242 0.058 1 0 "[ ]" 1
111 2 3 DC H3' 2 4 DG H8 4.950 4.120 5.780 4.776 4.776 4.776 . 0 0 "[ ]" 1
112 2 3 DC H6 2 4 DG H8 5.000 4.600 5.400 5.410 5.410 5.410 0.010 1 0 "[ ]" 1
113 2 4 DG H1' 2 4 DG H8 2.740 . 3.890 3.842 3.842 3.842 . 0 0 "[ ]" 1
114 2 4 DG H3' 2 4 DG H8 3.490 2.680 4.290 3.907 3.907 3.907 . 0 0 "[ ]" 1
115 2 4 DG H4' 2 4 DG H8 4.170 2.340 6.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
116 2 4 DG H5'' 2 4 DG H8 3.870 3.000 4.740 4.405 4.405 4.405 . 0 0 "[ ]" 1
117 2 4 DG H1' 2 4 DG H3' 3.460 2.420 4.500 3.950 3.950 3.950 . 0 0 "[ ]" 1
118 2 4 DG H1' 2 4 DG H4' 3.300 2.190 4.410 3.549 3.549 3.549 . 0 0 "[ ]" 1
119 2 5 DG H3' 2 5 DG H8 3.480 2.540 4.420 3.761 3.761 3.761 . 0 0 "[ ]" 1
120 2 5 DG H4' 2 5 DG H8 5.120 3.470 6.780 4.853 4.853 4.853 . 0 0 "[ ]" 1
121 2 5 DG H1' 2 5 DG H4' 3.290 2.330 4.250 3.234 3.234 3.234 . 0 0 "[ ]" 1
122 1 9 DC H1' 2 6 DA H2 4.170 3.340 5.000 4.495 4.495 4.495 . 0 0 "[ ]" 1
123 2 5 DG H1' 2 6 DA H8 3.050 2.140 3.960 3.969 3.969 3.969 0.009 1 0 "[ ]" 1
124 2 6 DA H1' 2 6 DA H8 3.400 2.640 4.160 3.880 3.880 3.880 . 0 0 "[ ]" 1
125 2 6 DA H1' 2 6 DA H3' 3.630 2.550 4.710 3.944 3.944 3.944 . 0 0 "[ ]" 1
126 2 6 DA H2' 2 6 DA H4' 3.890 2.760 5.020 3.928 3.928 3.928 . 0 0 "[ ]" 1
127 2 6 DA H2 2 7 DNR H1' 4.040 3.080 5.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
128 2 7 DNR H1' 2 7 DNR H2' 2.540 2.050 3.020 2.859 2.859 2.859 . 0 0 "[ ]" 1
129 2 7 DNR H1' 2 7 DNR H3' 3.040 . 4.210 3.892 3.892 3.892 . 0 0 "[ ]" 1
130 2 7 DNR H2' 2 7 DNR H4' 3.320 2.110 4.530 3.868 3.868 3.868 . 0 0 "[ ]" 1
131 2 7 DNR H1' 2 8 DA H8 3.110 2.250 3.970 4.093 4.093 4.093 0.123 1 0 "[ ]" 1
132 2 7 DNR H2' 2 8 DA H8 3.210 2.510 3.900 2.429 2.429 2.429 0.081 1 0 "[ ]" 1
133 2 7 DNR H2'' 2 8 DA H8 3.050 2.140 3.960 2.110 2.110 2.110 0.030 1 0 "[ ]" 1
134 2 8 DA H1' 2 8 DA H8 2.710 . 3.880 3.837 3.837 3.837 . 0 0 "[ ]" 1
135 2 8 DA Q2' 2 8 DA H8 2.880 2.440 3.320 2.150 2.150 2.150 0.290 1 0 "[ ]" 1
136 2 8 DA H1' 2 8 DA Q2' 2.400 2.040 2.760 2.220 2.220 2.220 . 0 0 "[ ]" 1
137 2 8 DA H1' 2 8 DA H3' 2.830 . 3.860 3.928 3.928 3.928 0.068 1 0 "[ ]" 1
138 2 8 DA Q2' 2 8 DA H4' 3.500 2.310 4.680 3.495 3.495 3.495 . 0 0 "[ ]" 1
139 2 8 DA H8 2 9 DC H5 3.940 3.130 4.750 4.250 4.250 4.250 . 0 0 "[ ]" 1
140 2 8 DA H1' 2 9 DC H6 3.160 2.450 3.870 3.065 3.065 3.065 . 0 0 "[ ]" 1
141 2 8 DA H8 2 9 DC H6 5.000 4.600 5.400 5.409 5.409 5.409 0.009 1 0 "[ ]" 1
142 2 8 DA H1' 2 9 DC H5 3.370 2.040 4.700 3.964 3.964 3.964 . 0 0 "[ ]" 1
143 2 8 DA Q2' 2 9 DC H5 3.490 2.750 4.230 2.510 2.510 2.510 0.240 1 0 "[ ]" 1
144 2 8 DA H3' 2 9 DC H5 4.160 3.030 5.290 4.895 4.895 4.895 . 0 0 "[ ]" 1
145 2 9 DC H3' 2 9 DC H6 3.630 2.480 4.780 3.795 3.795 3.795 . 0 0 "[ ]" 1
146 2 9 DC H2' 2 9 DC H5 3.160 . 4.660 4.205 4.205 4.205 . 0 0 "[ ]" 1
147 2 9 DC H1' 2 9 DC H2' 3.020 2.270 3.770 2.980 2.980 2.980 . 0 0 "[ ]" 1
148 2 9 DC H1' 2 9 DC H3' 3.070 . 4.220 3.896 3.896 3.896 . 0 0 "[ ]" 1
149 2 9 DC H2' 2 9 DC H4' 3.010 . 4.150 3.870 3.870 3.870 . 0 0 "[ ]" 1
150 2 9 DC H1' 2 10 DC H4' 5.000 4.800 5.200 4.782 4.782 4.782 0.018 1 0 "[ ]" 1
151 2 9 DC H1' 2 10 DC H6 3.200 2.420 3.970 3.151 3.151 3.151 . 0 0 "[ ]" 1
152 2 9 DC H3' 2 10 DC H6 4.120 2.970 5.270 4.786 4.786 4.786 . 0 0 "[ ]" 1
153 2 9 DC H1' 2 10 DC H5 3.540 2.380 4.700 3.782 3.782 3.782 . 0 0 "[ ]" 1
154 2 9 DC H3' 2 10 DC H5 3.650 2.050 5.250 4.870 4.870 4.870 . 0 0 "[ ]" 1
155 2 10 DC H3' 2 10 DC H6 3.800 2.560 5.050 3.848 3.848 3.848 . 0 0 "[ ]" 1
156 2 10 DC H1' 2 11 DG H4' 5.000 4.800 5.200 5.010 5.010 5.010 . 0 0 "[ ]" 1
157 2 11 DG H3' 2 11 DG H8 3.790 2.830 4.750 3.565 3.565 3.565 . 0 0 "[ ]" 1
158 2 11 DG H4' 2 11 DG H8 4.110 2.680 5.530 4.670 4.670 4.670 . 0 0 "[ ]" 1
159 2 11 DG H1' 2 12 DC H4' 5.000 4.800 5.200 4.765 4.765 4.765 0.035 1 0 "[ ]" 1
160 2 11 DG H3' 2 12 DC H5 4.550 3.020 6.080 4.436 4.436 4.436 . 0 0 "[ ]" 1
161 2 12 DC H1' 2 12 DC H6 3.000 2.100 3.900 3.724 3.724 3.724 . 0 0 "[ ]" 1
162 2 12 DC H2' 2 12 DC H5 3.370 . 4.740 4.166 4.166 4.166 . 0 0 "[ ]" 1
163 2 12 DC H1' 2 12 DC H3' 2.880 . 3.800 3.911 3.911 3.911 0.111 1 0 "[ ]" 1
164 2 12 DC H1' 2 13 DG H8 3.400 2.630 4.170 3.822 3.822 3.822 . 0 0 "[ ]" 1
165 2 12 DC H2' 2 13 DG H8 3.490 3.000 3.970 3.568 3.568 3.568 . 0 0 "[ ]" 1
166 2 13 DG H1' 2 13 DG H8 3.270 2.450 4.090 3.842 3.842 3.842 . 0 0 "[ ]" 1
167 2 13 DG H3' 2 13 DG H8 3.240 2.240 4.240 3.970 3.970 3.970 . 0 0 "[ ]" 1
168 2 13 DG H1' 2 13 DG H2' 2.440 . 3.000 2.980 2.980 2.980 . 0 0 "[ ]" 1
169 2 13 DG H1' 2 13 DG H2'' 2.180 2.020 2.340 2.278 2.278 2.278 . 0 0 "[ ]" 1
170 2 13 DG H1' 2 13 DG H3' 3.470 2.040 4.900 3.962 3.962 3.962 . 0 0 "[ ]" 1
171 2 13 DG H2' 2 13 DG H3' 2.410 2.160 2.650 2.297 2.297 2.297 . 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 130
_Distance_constraint_stats_list.Viol_count 35
_Distance_constraint_stats_list.Viol_total 2.938
_Distance_constraint_stats_list.Viol_max 0.826
_Distance_constraint_stats_list.Viol_rms 0.0943
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0226
_Distance_constraint_stats_list.Viol_average_violations_only 0.0839
_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 0.038 0.038 1 0 "[ ]"
1 3 DC 0.039 0.038 1 0 "[ ]"
1 4 DG 0.036 0.022 1 0 "[ ]"
1 5 DG 0.000 0.000 . 0 "[ ]"
1 6 DT 0.003 0.003 1 0 "[ ]"
1 7 P 0.913 0.643 1 1 [+]
1 8 DT 0.754 0.643 1 1 [+]
1 9 DC 0.054 0.031 1 0 "[ ]"
1 10 DC 0.100 0.072 1 0 "[ ]"
1 11 DG 0.240 0.072 1 0 "[ ]"
1 12 DC 0.148 0.065 1 0 "[ ]"
1 13 DG 0.066 0.056 1 0 "[ ]"
2 1 DC 0.000 0.000 . 0 "[ ]"
2 2 DG 0.021 0.021 1 0 "[ ]"
2 3 DC 0.054 0.033 1 0 "[ ]"
2 4 DG 0.000 0.000 . 0 "[ ]"
2 5 DG 0.000 0.000 . 0 "[ ]"
2 6 DA 0.041 0.041 1 0 "[ ]"
2 7 DNR 0.082 0.041 1 0 "[ ]"
2 8 DA 0.826 0.826 1 1 [+]
2 9 DC 0.933 0.826 1 1 [+]
2 10 DC 0.056 0.049 1 0 "[ ]"
2 11 DG 0.327 0.134 1 0 "[ ]"
2 12 DC 0.302 0.134 1 0 "[ ]"
2 13 DG 0.052 0.052 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 H2'' 1 1 DC H6 2.770 . 3.790 3.743 3.743 3.743 . 0 0 "[ ]" 2
2 1 1 DC H2' 1 1 DC H5 3.120 . 4.360 4.250 4.250 4.250 . 0 0 "[ ]" 2
3 1 1 DC H1' 1 1 DC H3' 2.930 . 3.950 3.913 3.913 3.913 . 0 0 "[ ]" 2
4 1 1 DC H2'' 1 1 DC H3' 2.400 2.040 2.760 2.681 2.681 2.681 . 0 0 "[ ]" 2
5 1 1 DC H1' 1 2 DG H4' 4.170 3.240 5.100 4.685 4.685 4.685 . 0 0 "[ ]" 2
6 1 2 DG H1' 1 2 DG H4' 2.950 . 3.960 3.468 3.468 3.468 . 0 0 "[ ]" 2
7 1 2 DG H1' 1 3 DC H6 3.250 2.460 4.040 3.661 3.661 3.661 . 0 0 "[ ]" 2
8 1 2 DG H3' 1 3 DC H6 4.200 3.280 5.120 4.718 4.718 4.718 . 0 0 "[ ]" 2
9 1 2 DG H4' 1 3 DC H6 3.970 2.140 5.800 5.838 5.838 5.838 0.038 1 0 "[ ]" 2
10 1 2 DG H1' 1 3 DC H5 3.280 . 4.700 4.296 4.296 4.296 . 0 0 "[ ]" 2
11 1 2 DG H2'' 1 3 DC H5 2.580 2.120 3.040 2.809 2.809 2.809 . 0 0 "[ ]" 2
12 1 3 DC H2' 1 3 DC H5 3.140 . 4.310 4.202 4.202 4.202 . 0 0 "[ ]" 2
13 1 3 DC H1' 1 4 DG H8 3.010 2.200 3.820 3.821 3.821 3.821 0.001 1 0 "[ ]" 2
14 1 3 DC H3' 1 4 DG H8 4.220 3.480 4.970 4.665 4.665 4.665 . 0 0 "[ ]" 2
15 1 4 DG H1' 1 4 DG H8 2.790 . 3.930 3.853 3.853 3.853 . 0 0 "[ ]" 2
16 1 4 DG H2' 1 4 DG H8 2.240 2.020 2.460 2.073 2.073 2.073 . 0 0 "[ ]" 2
17 1 4 DG H5' 1 4 DG H8 3.490 2.720 4.250 4.272 4.272 4.272 0.022 1 0 "[ ]" 2
18 1 4 DG H5'' 1 4 DG H8 3.900 2.980 4.820 4.833 4.833 4.833 0.013 1 0 "[ ]" 2
19 1 4 DG H2' 1 5 DG H8 3.490 3.000 3.970 3.854 3.854 3.854 . 0 0 "[ ]" 2
20 1 5 DG H1' 1 5 DG H8 3.000 2.080 3.930 3.863 3.863 3.863 . 0 0 "[ ]" 2
21 1 5 DG H2' 1 5 DG H8 2.260 2.020 2.500 2.176 2.176 2.176 . 0 0 "[ ]" 2
22 1 5 DG H2'' 1 5 DG H8 3.250 2.240 4.260 3.758 3.758 3.758 . 0 0 "[ ]" 2
23 1 5 DG H1' 1 6 DT H6 3.520 3.040 4.000 3.598 3.598 3.598 . 0 0 "[ ]" 2
24 1 6 DT H1' 1 6 DT H6 3.060 2.320 3.800 3.746 3.746 3.746 . 0 0 "[ ]" 2
25 1 6 DT H6 1 7 P H8A1 3.210 2.280 4.130 4.133 4.133 4.133 0.003 1 0 "[ ]" 2
26 1 6 DT H6 1 7 P H7A1 4.450 3.410 5.490 5.340 5.340 5.340 . 0 0 "[ ]" 2
27 1 7 P H7A1 1 7 P H8A2 2.440 2.090 2.790 2.978 2.978 2.978 0.188 1 0 "[ ]" 2
28 1 7 P H7A1 1 7 P H8A1 2.850 2.120 3.580 2.407 2.407 2.407 . 0 0 "[ ]" 2
29 1 7 P H7A2 1 7 P H8A2 2.460 2.140 2.780 2.397 2.397 2.397 . 0 0 "[ ]" 2
30 1 7 P H7A2 1 7 P H8A1 2.820 2.190 3.450 2.475 2.475 2.475 . 0 0 "[ ]" 2
31 1 7 P H6A1 1 7 P H7A2 2.270 . 2.560 2.202 2.202 2.202 . 0 0 "[ ]" 2
32 1 7 P H6A1 1 7 P H7A1 2.430 2.050 2.820 2.364 2.364 2.364 . 0 0 "[ ]" 2
33 1 7 P H1' 1 8 DT H6 3.350 2.890 3.810 3.889 3.889 3.889 0.079 1 0 "[ ]" 2
34 1 7 P H2' 1 8 DT H6 4.150 3.000 5.310 2.357 2.357 2.357 0.643 1 1 [+] 2
35 1 8 DT H1' 1 8 DT H6 2.960 . 3.960 3.718 3.718 3.718 . 0 0 "[ ]" 2
36 1 8 DT H1' 1 9 DC H2' 3.910 2.810 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 2
37 1 8 DT H1' 1 9 DC H6 3.130 2.300 3.960 3.455 3.455 3.455 . 0 0 "[ ]" 2
38 1 9 DC H1' 1 9 DC H6 3.110 2.210 4.010 3.734 3.734 3.734 . 0 0 "[ ]" 2
39 1 9 DC H2' 1 9 DC H5 3.250 . 4.670 4.199 4.199 4.199 . 0 0 "[ ]" 2
40 1 9 DC H1' 1 10 DC H6 3.210 2.490 3.940 3.962 3.962 3.962 0.022 1 0 "[ ]" 2
41 1 9 DC H3' 1 10 DC H6 3.960 2.850 5.080 4.451 4.451 4.451 . 0 0 "[ ]" 2
42 1 10 DC H2' 1 10 DC H6 2.190 . 2.390 1.984 1.984 1.984 0.006 1 0 "[ ]" 2
43 1 10 DC H3' 1 10 DC H6 3.540 2.600 4.490 3.556 3.556 3.556 . 0 0 "[ ]" 2
44 1 10 DC H1' 1 10 DC H3' 3.870 2.330 5.410 3.952 3.952 3.952 . 0 0 "[ ]" 2
45 1 10 DC H2'' 1 11 DG H8 2.790 2.290 3.290 2.218 2.218 2.218 0.072 1 0 "[ ]" 2
46 1 10 DC H3' 1 11 DG H8 4.230 3.170 5.290 4.614 4.614 4.614 . 0 0 "[ ]" 2
47 1 10 DC H6 1 11 DG H8 5.000 4.600 5.400 5.031 5.031 5.031 . 0 0 "[ ]" 2
48 1 11 DG H2' 1 11 DG H8 2.170 2.010 2.320 2.008 2.008 2.008 0.002 1 0 "[ ]" 2
49 1 11 DG H2'' 1 11 DG H8 3.000 2.100 3.900 3.592 3.592 3.592 . 0 0 "[ ]" 2
50 1 11 DG H5' 1 11 DG H8 3.250 2.660 3.850 3.919 3.919 3.919 0.069 1 0 "[ ]" 2
51 1 11 DG H5'' 1 11 DG H8 3.830 2.830 4.830 4.535 4.535 4.535 . 0 0 "[ ]" 2
52 1 11 DG H2'' 1 12 DC H6 2.510 2.300 2.730 2.235 2.235 2.235 0.065 1 0 "[ ]" 2
53 1 11 DG H4' 1 12 DC H6 4.450 3.090 5.800 5.605 5.605 5.605 . 0 0 "[ ]" 2
54 1 11 DG H8 1 12 DC H6 5.000 4.600 5.400 5.433 5.433 5.433 0.033 1 0 "[ ]" 2
55 1 11 DG H1' 1 12 DC H5 3.530 2.360 4.700 3.652 3.652 3.652 . 0 0 "[ ]" 2
56 1 11 DG H2' 1 12 DC H5 2.880 2.380 3.380 2.834 2.834 2.834 . 0 0 "[ ]" 2
57 1 11 DG H2'' 1 12 DC H5 2.520 2.040 3.000 2.311 2.311 2.311 . 0 0 "[ ]" 2
58 1 12 DC H2' 1 12 DC H6 2.410 2.150 2.660 2.100 2.100 2.100 0.050 1 0 "[ ]" 2
59 1 12 DC H3' 1 12 DC H6 3.620 2.540 4.700 3.526 3.526 3.526 . 0 0 "[ ]" 2
60 1 12 DC H1' 1 12 DC H2' 2.420 . 3.070 2.964 2.964 2.964 . 0 0 "[ ]" 2
61 1 12 DC H3' 1 13 DG H8 4.430 3.520 5.350 4.564 4.564 4.564 . 0 0 "[ ]" 2
62 1 12 DC H6 1 13 DG H8 5.000 4.600 5.400 5.275 5.275 5.275 . 0 0 "[ ]" 2
63 1 13 DG H2' 1 13 DG H8 2.250 2.090 2.410 2.034 2.034 2.034 0.056 1 0 "[ ]" 2
64 1 13 DG H4' 1 13 DG H8 4.620 3.380 5.860 5.004 5.004 5.004 . 0 0 "[ ]" 2
65 1 13 DG Q5' 1 13 DG H8 4.020 3.030 5.020 3.881 3.881 3.881 . 0 0 "[ ]" 2
66 1 13 DG H2'' 1 13 DG H3' 2.440 2.190 2.690 2.700 2.700 2.700 0.010 1 0 "[ ]" 2
67 1 13 DG H3' 1 13 DG Q5' 2.780 2.060 3.490 2.420 2.420 2.420 . 0 0 "[ ]" 2
68 2 1 DC H2'' 2 1 DC H6 2.890 2.040 3.740 3.613 3.613 3.613 . 0 0 "[ ]" 2
69 2 1 DC H2' 2 1 DC H5 3.760 2.500 5.020 4.236 4.236 4.236 . 0 0 "[ ]" 2
70 2 1 DC H1' 2 1 DC H3' 2.920 . 3.940 3.864 3.864 3.864 . 0 0 "[ ]" 2
71 2 1 DC H2'' 2 1 DC H3' 2.310 . 2.680 2.673 2.673 2.673 . 0 0 "[ ]" 2
72 2 2 DG H1' 2 2 DG H4' 3.000 . 4.040 3.540 3.540 3.540 . 0 0 "[ ]" 2
73 2 2 DG H1' 2 3 DC H4' 4.140 3.180 5.100 4.149 4.149 4.149 . 0 0 "[ ]" 2
74 2 2 DG H1' 2 3 DC H6 3.270 2.420 4.120 3.303 3.303 3.303 . 0 0 "[ ]" 2
75 2 2 DG H3' 2 3 DC H6 4.160 3.270 5.050 4.871 4.871 4.871 . 0 0 "[ ]" 2
76 2 2 DG H4' 2 3 DC H6 3.920 2.030 5.800 5.821 5.821 5.821 0.021 1 0 "[ ]" 2
77 2 2 DG H1' 2 3 DC H5 3.290 . 4.700 4.266 4.266 4.266 . 0 0 "[ ]" 2
78 2 2 DG H2'' 2 3 DC H5 2.490 2.060 2.920 2.912 2.912 2.912 . 0 0 "[ ]" 2
79 2 3 DC H2' 2 3 DC H5 3.260 2.060 4.470 4.241 4.241 4.241 . 0 0 "[ ]" 2
80 2 3 DC H1' 2 3 DC H2' 2.350 . 2.950 2.983 2.983 2.983 0.033 1 0 "[ ]" 2
81 2 3 DC H1' 2 3 DC H2'' 2.210 2.110 2.310 2.282 2.282 2.282 . 0 0 "[ ]" 2
82 2 4 DG H2' 2 4 DG H8 2.430 2.040 2.820 2.044 2.044 2.044 . 0 0 "[ ]" 2
83 2 4 DG H1' 2 5 DG H8 3.090 2.200 3.980 3.399 3.399 3.399 . 0 0 "[ ]" 2
84 2 5 DG H1' 2 5 DG H8 2.950 2.010 3.890 3.882 3.882 3.882 . 0 0 "[ ]" 2
85 2 5 DG Q5' 2 5 DG H8 3.810 3.110 4.510 4.085 4.085 4.085 . 0 0 "[ ]" 2
86 2 5 DG H1' 2 5 DG H2' 2.970 2.320 3.630 2.964 2.964 2.964 . 0 0 "[ ]" 2
87 2 5 DG H1' 2 5 DG H2'' 2.120 . 2.270 2.268 2.268 2.268 . 0 0 "[ ]" 2
88 2 5 DG H1' 2 5 DG H3' 3.560 2.670 4.450 3.956 3.956 3.956 . 0 0 "[ ]" 2
89 2 6 DA H3' 2 6 DA H8 3.440 2.400 4.480 3.957 3.957 3.957 . 0 0 "[ ]" 2
90 2 6 DA H2'' 2 6 DA H4' 4.470 3.230 5.720 3.893 3.893 3.893 . 0 0 "[ ]" 2
91 2 6 DA H1' 2 7 DNR H6 3.500 3.010 3.980 3.424 3.424 3.424 . 0 0 "[ ]" 2
92 2 6 DA H2' 2 7 DNR H6 3.470 3.000 3.940 3.308 3.308 3.308 . 0 0 "[ ]" 2
93 2 6 DA H2'' 2 7 DNR H6 2.650 2.300 3.000 2.259 2.259 2.259 0.041 1 0 "[ ]" 2
94 2 7 DNR H1' 2 7 DNR H6 3.420 2.800 4.040 3.706 3.706 3.706 . 0 0 "[ ]" 2
95 2 7 DNR H2' 2 7 DNR H6 2.870 2.450 3.290 2.689 2.689 2.689 . 0 0 "[ ]" 2
96 2 7 DNR H2'' 2 7 DNR H6 3.290 2.330 4.250 4.048 4.048 4.048 . 0 0 "[ ]" 2
97 2 7 DNR H3' 2 7 DNR H6 3.610 2.770 4.440 2.804 2.804 2.804 . 0 0 "[ ]" 2
98 2 7 DNR H5' 2 7 DNR H6 3.400 2.630 4.170 4.211 4.211 4.211 0.041 1 0 "[ ]" 2
99 2 7 DNR H3' 2 8 DA H8 3.670 2.340 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 2
100 2 8 DA H3' 2 8 DA H8 3.540 2.600 4.470 3.910 3.910 3.910 . 0 0 "[ ]" 2
101 2 8 DA Q2' 2 8 DA H5' 3.250 2.220 4.280 3.790 3.790 3.790 . 0 0 "[ ]" 2
102 2 8 DA Q2' 2 9 DC H6 3.420 3.000 3.840 2.174 2.174 2.174 0.826 1 1 [+] 2
103 2 9 DC H2' 2 9 DC H6 2.330 2.030 2.620 2.001 2.001 2.001 0.029 1 0 "[ ]" 2
104 2 9 DC H1' 2 9 DC H2'' 2.080 . 2.190 2.262 2.262 2.262 0.072 1 0 "[ ]" 2
105 2 9 DC H4' 2 10 DC H6 4.290 2.780 5.800 5.806 5.806 5.806 0.006 1 0 "[ ]" 2
106 2 9 DC H2' 2 10 DC H5 2.750 . 3.630 2.951 2.951 2.951 . 0 0 "[ ]" 2
107 2 9 DC H2'' 2 10 DC H5 2.610 2.160 3.060 2.586 2.586 2.586 . 0 0 "[ ]" 2
108 2 10 DC H2' 2 10 DC H5 3.430 2.140 4.720 4.242 4.242 4.242 . 0 0 "[ ]" 2
109 2 10 DC H1' 2 10 DC H3' 3.960 2.440 5.490 3.888 3.888 3.888 . 0 0 "[ ]" 2
110 2 10 DC H2'' 2 11 DG H8 2.630 2.300 2.960 2.251 2.251 2.251 0.049 1 0 "[ ]" 2
111 2 10 DC H3' 2 11 DG H8 4.430 3.280 5.590 4.873 4.873 4.873 . 0 0 "[ ]" 2
112 2 11 DG H2' 2 11 DG H8 2.170 . 2.360 2.153 2.153 2.153 . 0 0 "[ ]" 2
113 2 11 DG H2'' 2 11 DG H8 2.930 2.120 3.740 3.755 3.755 3.755 0.015 1 0 "[ ]" 2
114 2 11 DG H5' 2 11 DG H8 3.170 2.710 3.630 3.677 3.677 3.677 0.047 1 0 "[ ]" 2
115 2 11 DG H5'' 2 11 DG H8 3.750 2.730 4.770 4.294 4.294 4.294 . 0 0 "[ ]" 2
116 2 11 DG H2'' 2 12 DC H6 2.520 2.300 2.740 2.166 2.166 2.166 0.134 1 0 "[ ]" 2
117 2 11 DG H4' 2 12 DC H6 4.210 2.610 5.800 5.847 5.847 5.847 0.047 1 0 "[ ]" 2
118 2 11 DG H8 2 12 DC H6 5.000 4.600 5.400 5.434 5.434 5.434 0.034 1 0 "[ ]" 2
119 2 11 DG H1' 2 12 DC H5 3.460 2.220 4.700 4.259 4.259 4.259 . 0 0 "[ ]" 2
120 2 11 DG H2' 2 12 DC H5 2.850 2.390 3.310 2.622 2.622 2.622 . 0 0 "[ ]" 2
121 2 11 DG H2'' 2 12 DC H5 2.430 2.030 2.840 2.733 2.733 2.733 . 0 0 "[ ]" 2
122 2 12 DC H2' 2 12 DC H6 2.520 2.080 2.960 1.993 1.993 1.993 0.087 1 0 "[ ]" 2
123 2 12 DC H3' 2 12 DC H6 3.770 2.620 4.920 3.574 3.574 3.574 . 0 0 "[ ]" 2
124 2 12 DC H1' 2 12 DC H2' 2.390 . 3.080 2.953 2.953 2.953 . 0 0 "[ ]" 2
125 2 12 DC H3' 2 13 DG H8 4.250 3.250 5.250 4.655 4.655 4.655 . 0 0 "[ ]" 2
126 2 12 DC H6 2 13 DG H8 5.000 4.600 5.400 5.268 5.268 5.268 . 0 0 "[ ]" 2
127 2 13 DG H2' 2 13 DG H8 2.250 2.090 2.400 2.038 2.038 2.038 0.052 1 0 "[ ]" 2
128 2 13 DG H4' 2 13 DG H8 4.720 3.410 6.030 4.939 4.939 4.939 . 0 0 "[ ]" 2
129 2 13 DG Q5' 2 13 DG H8 3.880 2.890 4.870 3.789 3.789 3.789 . 0 0 "[ ]" 2
130 2 13 DG H3' 2 13 DG Q5' 3.000 . 4.000 2.427 2.427 2.427 . 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 59
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 1.006
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0376
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0170
_Distance_constraint_stats_list.Viol_average_violations_only 0.0671
_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 0.056 0.056 1 0 "[ ]"
1 5 DG 0.000 0.000 . 0 "[ ]"
1 8 DT 0.000 0.000 . 0 "[ ]"
1 9 DC 0.136 0.123 1 0 "[ ]"
1 10 DC 0.123 0.123 1 0 "[ ]"
1 12 DC 0.031 0.031 1 0 "[ ]"
1 13 DG 0.114 0.083 1 0 "[ ]"
2 1 DC 0.158 0.158 1 0 "[ ]"
2 2 DG 0.000 0.000 . 0 "[ ]"
2 3 DC 0.000 0.000 . 0 "[ ]"
2 5 DG 0.000 0.000 . 0 "[ ]"
2 6 DA 0.000 0.000 . 0 "[ ]"
2 7 DNR 0.219 0.116 1 0 "[ ]"
2 8 DA 0.000 0.000 . 0 "[ ]"
2 9 DC 0.147 0.100 1 0 "[ ]"
2 10 DC 0.191 0.100 1 0 "[ ]"
2 11 DG 0.000 0.000 . 0 "[ ]"
2 12 DC 0.031 0.031 1 0 "[ ]"
2 13 DG 0.124 0.094 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 H1' 1 1 DC H4' 3.080 2.100 4.050 3.579 3.579 3.579 . 0 0 "[ ]" 3
2 1 1 DC H2' 1 1 DC H4' 2.870 . 3.990 3.837 3.837 3.837 . 0 0 "[ ]" 3
3 1 1 DC H2'' 1 1 DC H4' 3.160 2.150 4.160 4.045 4.045 4.045 . 0 0 "[ ]" 3
4 1 2 DG H2' 1 3 DC H6 3.480 3.000 3.960 3.600 3.600 3.600 . 0 0 "[ ]" 3
5 1 3 DC H1' 1 3 DC H5 5.500 4.250 6.750 5.440 5.440 5.440 . 0 0 "[ ]" 3
6 1 3 DC H1' 1 3 DC H4' 3.230 2.400 4.060 3.365 3.365 3.365 . 0 0 "[ ]" 3
7 1 3 DC H2' 1 3 DC H3' 2.620 2.080 3.160 2.246 2.246 2.246 . 0 0 "[ ]" 3
8 1 3 DC H3' 1 3 DC H4' 2.340 . 2.730 2.786 2.786 2.786 0.056 1 0 "[ ]" 3
9 1 5 DG H1' 1 5 DG H4' 3.380 2.400 4.370 3.467 3.467 3.467 . 0 0 "[ ]" 3
10 1 8 DT H4' 1 8 DT H6 3.730 2.290 5.170 4.686 4.686 4.686 . 0 0 "[ ]" 3
11 1 8 DT Q5' 1 8 DT H6 3.440 2.500 4.380 3.888 3.888 3.888 . 0 0 "[ ]" 3
12 1 8 DT H1' 1 8 DT Q5' 3.830 2.580 5.080 4.339 4.339 4.339 . 0 0 "[ ]" 3
13 1 8 DT H3' 1 8 DT H4' 2.540 2.180 2.910 2.836 2.836 2.836 . 0 0 "[ ]" 3
14 1 8 DT H1' 1 9 DC H4' 3.770 2.440 5.100 4.822 4.822 4.822 . 0 0 "[ ]" 3
15 1 8 DT H4' 1 9 DC H6 4.430 3.070 5.800 5.601 5.601 5.601 . 0 0 "[ ]" 3
16 1 9 DC H2'' 1 9 DC H6 2.830 . 3.680 3.693 3.693 3.693 0.013 1 0 "[ ]" 3
17 1 9 DC H6 1 10 DC H5 3.580 2.410 4.750 3.875 3.875 3.875 . 0 0 "[ ]" 3
18 1 9 DC H2'' 1 10 DC H6 2.930 2.300 3.560 2.177 2.177 2.177 0.123 1 0 "[ ]" 3
19 1 9 DC H2' 1 10 DC H5 2.910 2.270 3.550 2.500 2.500 2.500 . 0 0 "[ ]" 3
20 1 10 DC H2' 1 10 DC H5 3.190 2.170 4.210 4.164 4.164 4.164 . 0 0 "[ ]" 3
21 1 10 DC H1' 1 10 DC H2' 2.500 . 3.220 2.973 2.973 2.973 . 0 0 "[ ]" 3
22 1 10 DC H1' 1 10 DC H2'' 2.210 . 2.450 2.269 2.269 2.269 . 0 0 "[ ]" 3
23 1 12 DC H2'' 1 12 DC H4' 3.070 2.130 4.010 3.901 3.901 3.901 . 0 0 "[ ]" 3
24 1 12 DC H1' 1 13 DG H2' 4.040 3.080 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 3
25 1 13 DG H2' 1 13 DG H4' 3.310 2.210 4.410 3.866 3.866 3.866 . 0 0 "[ ]" 3
26 1 13 DG H2'' 1 13 DG H4' 3.040 2.170 3.900 3.983 3.983 3.983 0.083 1 0 "[ ]" 3
27 2 1 DC H1' 2 1 DC H4' 3.100 2.150 4.060 3.477 3.477 3.477 . 0 0 "[ ]" 3
28 2 1 DC H2' 2 1 DC H4' 2.690 . 3.610 3.768 3.768 3.768 0.158 1 0 "[ ]" 3
29 2 1 DC H2'' 2 1 DC H4' 3.330 2.210 4.450 4.019 4.019 4.019 . 0 0 "[ ]" 3
30 2 2 DG H2' 2 3 DC H6 3.500 3.000 4.000 3.679 3.679 3.679 . 0 0 "[ ]" 3
31 2 3 DC H1' 2 3 DC H5 4.660 3.580 5.740 5.440 5.440 5.440 . 0 0 "[ ]" 3
32 2 3 DC H1' 2 3 DC H4' 3.170 2.270 4.060 3.424 3.424 3.424 . 0 0 "[ ]" 3
33 2 3 DC H3' 2 3 DC H4' 2.360 . 2.800 2.782 2.782 2.782 . 0 0 "[ ]" 3
34 2 5 DG H2' 2 5 DG H4' 3.340 2.350 4.340 3.959 3.959 3.959 . 0 0 "[ ]" 3
35 2 5 DG H3' 2 5 DG Q5' 2.900 2.100 3.700 2.435 2.435 2.435 . 0 0 "[ ]" 3
36 2 6 DA H3' 2 6 DA Q5' 2.900 2.110 3.690 2.401 2.401 2.401 . 0 0 "[ ]" 3
37 2 6 DA H1' 2 7 DNR H3' 4.110 2.220 6.000 5.038 5.038 5.038 . 0 0 "[ ]" 3
38 2 7 DNR H1' 2 7 DNR H2'' 2.240 2.040 2.440 2.225 2.225 2.225 . 0 0 "[ ]" 3
39 2 7 DNR H1' 2 7 DNR H5' 3.940 3.230 4.650 4.640 4.640 4.640 . 0 0 "[ ]" 3
40 2 7 DNR H2' 2 7 DNR H3' 2.430 2.130 2.730 2.246 2.246 2.246 . 0 0 "[ ]" 3
41 2 7 DNR H2'' 2 7 DNR H3' 2.480 2.150 2.810 2.926 2.926 2.926 0.116 1 0 "[ ]" 3
42 2 7 DNR H3' 2 7 DNR H4' 2.500 2.140 2.870 2.973 2.973 2.973 0.103 1 0 "[ ]" 3
43 2 8 DA H3' 2 8 DA H5' 3.040 2.140 3.940 3.554 3.554 3.554 . 0 0 "[ ]" 3
44 2 8 DA H2 2 9 DC H1' 4.270 3.540 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 3
45 2 8 DA H3' 2 9 DC H6 4.120 3.170 5.060 4.771 4.771 4.771 . 0 0 "[ ]" 3
46 2 9 DC H1' 2 9 DC H6 2.760 . 3.710 3.718 3.718 3.718 0.008 1 0 "[ ]" 3
47 2 9 DC H2' 2 10 DC H6 3.380 3.000 3.760 3.781 3.781 3.781 0.021 1 0 "[ ]" 3
48 2 9 DC H2'' 2 10 DC H6 2.610 2.300 2.920 2.200 2.200 2.200 0.100 1 0 "[ ]" 3
49 2 9 DC H5 2 10 DC H5 3.540 2.350 4.730 4.749 4.749 4.749 0.019 1 0 "[ ]" 3
50 2 10 DC H2' 2 10 DC H6 2.630 2.100 3.170 2.048 2.048 2.048 0.052 1 0 "[ ]" 3
51 2 10 DC H2'' 2 10 DC H6 2.920 2.010 3.830 3.582 3.582 3.582 . 0 0 "[ ]" 3
52 2 10 DC H2' 2 10 DC H4' 3.410 2.490 4.330 3.867 3.867 3.867 . 0 0 "[ ]" 3
53 2 10 DC H1' 2 11 DG H8 3.160 2.420 3.890 3.192 3.192 3.192 . 0 0 "[ ]" 3
54 2 11 DG H1' 2 11 DG H8 3.060 2.180 3.940 3.833 3.833 3.833 . 0 0 "[ ]" 3
55 2 11 DG H8 2 12 DC H5 3.810 2.870 4.750 4.021 4.021 4.021 . 0 0 "[ ]" 3
56 2 12 DC H2'' 2 12 DC H4' 3.080 2.170 3.980 3.903 3.903 3.903 . 0 0 "[ ]" 3
57 2 12 DC H1' 2 13 DG H2' 4.070 3.140 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 3
58 2 13 DG H2' 2 13 DG H4' 3.250 2.170 4.330 3.876 3.876 3.876 . 0 0 "[ ]" 3
59 2 13 DG H2'' 2 13 DG H4' 2.980 2.080 3.880 3.974 3.974 3.974 0.094 1 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 187
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 3.660
_Distance_constraint_stats_list.Viol_max 0.830
_Distance_constraint_stats_list.Viol_rms 0.0805
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0196
_Distance_constraint_stats_list.Viol_average_violations_only 0.0813
_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 0.146 0.106 1 0 "[ ]"
1 3 DC 0.365 0.106 1 0 "[ ]"
1 4 DG 0.069 0.051 1 0 "[ ]"
1 5 DG 0.219 0.112 1 0 "[ ]"
1 6 DT 0.168 0.112 1 0 "[ ]"
1 7 P 0.072 0.059 1 0 "[ ]"
1 8 DT 1.805 0.830 1 1 [+]
1 9 DC 1.176 0.830 1 1 [+]
1 10 DC 0.100 0.062 1 0 "[ ]"
1 11 DG 0.059 0.046 1 0 "[ ]"
1 12 DC 0.067 0.045 1 0 "[ ]"
1 13 DG 0.045 0.045 1 0 "[ ]"
2 1 DC 0.118 0.118 1 0 "[ ]"
2 2 DG 0.122 0.092 1 0 "[ ]"
2 3 DC 0.150 0.092 1 0 "[ ]"
2 4 DG 0.096 0.049 1 0 "[ ]"
2 5 DG 0.078 0.047 1 0 "[ ]"
2 6 DA 0.123 0.052 1 0 "[ ]"
2 7 DNR 0.102 0.052 1 0 "[ ]"
2 8 DA 0.167 0.167 1 0 "[ ]"
2 9 DC 0.037 0.020 1 0 "[ ]"
2 10 DC 0.022 0.012 1 0 "[ ]"
2 11 DG 0.059 0.046 1 0 "[ ]"
2 12 DC 0.097 0.051 1 0 "[ ]"
2 13 DG 0.051 0.051 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 H1' 1 1 DC H2' 2.510 . 3.020 3.002 3.002 3.002 . 0 0 "[ ]" 4
2 1 1 DC H1' 1 1 DC H2'' 2.460 2.100 2.820 2.314 2.314 2.314 . 0 0 "[ ]" 4
3 1 1 DC H3' 1 1 DC H4' 2.660 2.120 3.190 2.721 2.721 2.721 . 0 0 "[ ]" 4
4 1 2 DG H2' 1 2 DG H8 2.260 . 2.550 2.138 2.138 2.138 . 0 0 "[ ]" 4
5 1 2 DG H2'' 1 2 DG H8 2.880 2.070 3.690 3.730 3.730 3.730 0.040 1 0 "[ ]" 4
6 1 2 DG H1' 1 2 DG H3' 3.040 2.030 4.050 3.988 3.988 3.988 . 0 0 "[ ]" 4
7 1 2 DG H3' 1 2 DG H4' 2.580 2.230 2.930 2.807 2.807 2.807 . 0 0 "[ ]" 4
8 1 2 DG H3' 1 2 DG H5' 2.870 . 3.750 3.538 3.538 3.538 . 0 0 "[ ]" 4
9 1 2 DG H3' 1 2 DG H5'' 2.900 2.080 3.720 2.605 2.605 2.605 . 0 0 "[ ]" 4
10 1 2 DG H2'' 1 3 DC H6 2.540 2.300 2.770 2.194 2.194 2.194 0.106 1 0 "[ ]" 4
11 1 2 DG H2' 1 3 DC H5 2.930 2.380 3.480 2.856 2.856 2.856 . 0 0 "[ ]" 4
12 1 3 DC H2' 1 3 DC H6 2.370 2.140 2.590 2.089 2.089 2.089 0.051 1 0 "[ ]" 4
13 1 3 DC H2'' 1 3 DC H6 2.940 2.230 3.650 3.662 3.662 3.662 0.012 1 0 "[ ]" 4
14 1 3 DC H4' 1 3 DC H6 3.850 2.860 4.850 4.528 4.528 4.528 . 0 0 "[ ]" 4
15 1 3 DC Q5' 1 3 DC H6 3.540 2.900 4.170 3.672 3.672 3.672 . 0 0 "[ ]" 4
16 1 3 DC H1' 1 3 DC H2' 2.390 . 2.900 2.952 2.952 2.952 0.052 1 0 "[ ]" 4
17 1 3 DC H1' 1 3 DC H2'' 2.200 2.030 2.370 2.264 2.264 2.264 . 0 0 "[ ]" 4
18 1 3 DC H1' 1 3 DC H3' 2.920 . 3.880 3.927 3.927 3.927 0.047 1 0 "[ ]" 4
19 1 3 DC H2'' 1 3 DC H3' 2.820 2.370 3.270 2.752 2.752 2.752 . 0 0 "[ ]" 4
20 1 3 DC H2' 1 3 DC H4' 2.730 . 3.800 3.897 3.897 3.897 0.097 1 0 "[ ]" 4
21 1 3 DC H1' 1 4 DG H4' 3.930 2.760 5.100 4.557 4.557 4.557 . 0 0 "[ ]" 4
22 1 4 DG H2'' 1 4 DG H8 3.140 2.190 4.090 3.550 3.550 3.550 . 0 0 "[ ]" 4
23 1 4 DG H1' 1 4 DG H2' 2.970 2.220 3.720 3.011 3.011 3.011 . 0 0 "[ ]" 4
24 1 4 DG H1' 1 4 DG H2'' 2.220 . 2.490 2.322 2.322 2.322 . 0 0 "[ ]" 4
25 1 4 DG H2' 1 4 DG H3' 2.590 2.330 2.850 2.316 2.316 2.316 0.014 1 0 "[ ]" 4
26 1 4 DG H2'' 1 4 DG H3' 2.710 2.280 3.130 2.705 2.705 2.705 . 0 0 "[ ]" 4
27 1 4 DG H3' 1 4 DG H4' 2.540 2.320 2.760 2.764 2.764 2.764 0.004 1 0 "[ ]" 4
28 1 4 DG H3' 1 4 DG H5' 2.940 2.040 3.840 3.576 3.576 3.576 . 0 0 "[ ]" 4
29 1 4 DG H3' 1 4 DG H5'' 2.940 2.110 3.770 2.514 2.514 2.514 . 0 0 "[ ]" 4
30 1 4 DG H2'' 1 5 DG H8 2.810 2.300 3.320 2.249 2.249 2.249 0.051 1 0 "[ ]" 4
31 1 5 DG H4' 1 5 DG H8 3.640 . 5.410 4.813 4.813 4.813 . 0 0 "[ ]" 4
32 1 5 DG H1' 1 5 DG H2' 2.550 2.060 3.050 2.968 2.968 2.968 . 0 0 "[ ]" 4
33 1 5 DG H2'' 1 5 DG H4' 3.530 2.460 4.600 3.863 3.863 3.863 . 0 0 "[ ]" 4
34 1 5 DG H3' 1 5 DG H4' 2.560 2.190 2.930 2.793 2.793 2.793 . 0 0 "[ ]" 4
35 1 5 DG H3' 1 5 DG Q5' 2.780 2.060 3.500 2.379 2.379 2.379 . 0 0 "[ ]" 4
36 1 5 DG H1' 1 6 DT H3' 4.430 2.860 6.000 5.532 5.532 5.532 . 0 0 "[ ]" 4
37 1 5 DG H2'' 1 6 DT H6 2.880 2.300 3.460 2.188 2.188 2.188 0.112 1 0 "[ ]" 4
38 1 5 DG H4' 1 6 DT H6 4.110 2.410 5.800 5.856 5.856 5.856 0.056 1 0 "[ ]" 4
39 1 6 DT H2'' 1 6 DT H6 2.850 . 3.870 3.771 3.771 3.771 . 0 0 "[ ]" 4
40 1 6 DT H1' 1 6 DT H3' 3.450 2.260 4.640 3.928 3.928 3.928 . 0 0 "[ ]" 4
41 1 7 P H1' 1 7 P H8 2.380 2.110 2.650 2.709 2.709 2.709 0.059 1 0 "[ ]" 4
42 1 7 P H1' 1 7 P H3' 3.410 2.440 4.380 3.954 3.954 3.954 . 0 0 "[ ]" 4
43 1 7 P H3' 1 8 DT H6 4.000 3.100 4.890 4.903 4.903 4.903 0.013 1 0 "[ ]" 4
44 1 8 DT Q2' 1 8 DT H6 2.960 2.520 3.400 1.895 1.895 1.895 0.625 1 1 [+] 4
45 1 8 DT H3' 1 8 DT H6 3.430 2.590 4.270 3.538 3.538 3.538 . 0 0 "[ ]" 4
46 1 8 DT H1' 1 8 DT Q2' 2.440 2.020 2.860 2.212 2.212 2.212 . 0 0 "[ ]" 4
47 1 8 DT H1' 1 8 DT H4' 3.190 2.230 4.150 3.328 3.328 3.328 . 0 0 "[ ]" 4
48 1 8 DT Q2' 1 8 DT H3' 2.650 2.310 2.990 2.166 2.166 2.166 0.144 1 0 "[ ]" 4
49 1 8 DT H3' 1 8 DT Q5' 2.750 2.030 3.470 2.404 2.404 2.404 . 0 0 "[ ]" 4
50 1 8 DT H1' 1 9 DC H3' 4.200 2.400 6.000 5.744 5.744 5.744 . 0 0 "[ ]" 4
51 1 8 DT Q2' 1 9 DC H6 3.370 3.000 3.740 2.170 2.170 2.170 0.830 1 1 [+] 4
52 1 8 DT H3' 1 9 DC H6 3.890 2.990 4.790 4.767 4.767 4.767 . 0 0 "[ ]" 4
53 1 8 DT Q2' 1 9 DC H5 2.920 2.560 3.290 2.369 2.369 2.369 0.191 1 0 "[ ]" 4
54 1 9 DC H4' 1 9 DC H6 3.540 2.490 4.590 4.442 4.442 4.442 . 0 0 "[ ]" 4
55 1 9 DC Q5' 1 9 DC H6 3.540 2.750 4.330 3.520 3.520 3.520 . 0 0 "[ ]" 4
56 1 9 DC H1' 1 9 DC H2'' 2.250 2.080 2.420 2.251 2.251 2.251 . 0 0 "[ ]" 4
57 1 9 DC H1' 1 9 DC H3' 3.150 . 4.430 3.974 3.974 3.974 . 0 0 "[ ]" 4
58 1 9 DC H2' 1 9 DC H3' 2.920 2.320 3.510 2.257 2.257 2.257 0.063 1 0 "[ ]" 4
59 1 9 DC H2'' 1 9 DC H3' 2.520 2.310 2.730 2.759 2.759 2.759 0.029 1 0 "[ ]" 4
60 1 9 DC H2' 1 10 DC H6 3.470 3.000 3.940 3.360 3.360 3.360 . 0 0 "[ ]" 4
61 1 9 DC H4' 1 10 DC H6 4.420 3.040 5.800 5.862 5.862 5.862 0.062 1 0 "[ ]" 4
62 1 9 DC H6 1 10 DC H6 5.000 4.600 5.400 5.319 5.319 5.319 . 0 0 "[ ]" 4
63 1 9 DC H2'' 1 10 DC H5 2.480 2.060 2.900 2.830 2.830 2.830 . 0 0 "[ ]" 4
64 1 10 DC H1' 1 10 DC H6 3.080 2.120 4.040 3.724 3.724 3.724 . 0 0 "[ ]" 4
65 1 10 DC H2'' 1 10 DC H6 2.870 2.080 3.660 3.576 3.576 3.576 . 0 0 "[ ]" 4
66 1 10 DC H4' 1 10 DC H6 3.620 2.620 4.620 4.553 4.553 4.553 . 0 0 "[ ]" 4
67 1 10 DC Q5' 1 10 DC H6 3.730 3.050 4.410 3.598 3.598 3.598 . 0 0 "[ ]" 4
68 1 10 DC H2' 1 10 DC H3' 2.520 2.150 2.890 2.267 2.267 2.267 . 0 0 "[ ]" 4
69 1 10 DC H2'' 1 10 DC H3' 2.440 2.170 2.710 2.735 2.735 2.735 0.025 1 0 "[ ]" 4
70 1 10 DC H1' 1 11 DG H8 3.120 2.390 3.850 3.863 3.863 3.863 0.013 1 0 "[ ]" 4
71 1 10 DC H2' 1 11 DG H8 3.480 3.000 3.960 3.375 3.375 3.375 . 0 0 "[ ]" 4
72 1 11 DG H1' 1 11 DG H8 3.100 2.220 3.980 3.818 3.818 3.818 . 0 0 "[ ]" 4
73 1 11 DG H1' 1 11 DG H3' 3.330 2.460 4.200 3.977 3.977 3.977 . 0 0 "[ ]" 4
74 1 11 DG H3' 1 11 DG H4' 2.420 2.140 2.710 2.756 2.756 2.756 0.046 1 0 "[ ]" 4
75 1 11 DG H3' 1 11 DG H5' 2.880 . 3.820 3.559 3.559 3.559 . 0 0 "[ ]" 4
76 1 11 DG H3' 1 11 DG H5'' 3.030 . 4.110 2.606 2.606 2.606 . 0 0 "[ ]" 4
77 1 11 DG H8 1 12 DC H5 3.830 2.910 4.750 3.910 3.910 3.910 . 0 0 "[ ]" 4
78 1 11 DG H1' 1 12 DC H6 3.040 2.340 3.740 3.126 3.126 3.126 . 0 0 "[ ]" 4
79 1 11 DG H2' 1 12 DC H6 3.540 3.000 4.080 3.883 3.883 3.883 . 0 0 "[ ]" 4
80 1 11 DG H3' 1 12 DC H6 4.380 3.500 5.260 4.827 4.827 4.827 . 0 0 "[ ]" 4
81 1 12 DC H2'' 1 12 DC H6 2.920 2.090 3.750 3.676 3.676 3.676 . 0 0 "[ ]" 4
82 1 12 DC H1' 1 12 DC H5 4.120 2.830 5.410 5.432 5.432 5.432 0.022 1 0 "[ ]" 4
83 1 12 DC H1' 1 12 DC H2'' 2.150 . 2.300 2.258 2.258 2.258 . 0 0 "[ ]" 4
84 1 12 DC H1' 1 12 DC H4' 3.150 2.250 4.050 3.530 3.530 3.530 . 0 0 "[ ]" 4
85 1 12 DC H2' 1 12 DC H3' 2.710 2.250 3.170 2.274 2.274 2.274 . 0 0 "[ ]" 4
86 1 12 DC H2'' 1 12 DC H3' 2.650 2.330 2.970 2.753 2.753 2.753 . 0 0 "[ ]" 4
87 1 12 DC H2' 1 12 DC H4' 3.130 . 4.390 3.947 3.947 3.947 . 0 0 "[ ]" 4
88 1 12 DC H1' 1 13 DG H3' 4.560 3.130 6.000 5.768 5.768 5.768 . 0 0 "[ ]" 4
89 1 12 DC H2'' 1 13 DG H8 2.820 2.300 3.340 2.255 2.255 2.255 0.045 1 0 "[ ]" 4
90 1 13 DG H2'' 1 13 DG H8 2.920 . 3.910 3.544 3.544 3.544 . 0 0 "[ ]" 4
91 1 13 DG H1' 1 13 DG H4' 3.200 2.250 4.150 3.590 3.590 3.590 . 0 0 "[ ]" 4
92 1 13 DG H1' 1 13 DG Q5' 3.880 2.890 4.870 4.330 4.330 4.330 . 0 0 "[ ]" 4
93 1 13 DG H3' 1 13 DG H4' 2.440 2.110 2.770 2.714 2.714 2.714 . 0 0 "[ ]" 4
94 2 1 DC H1' 2 1 DC H2' 2.370 . 2.850 2.968 2.968 2.968 0.118 1 0 "[ ]" 4
95 2 1 DC H1' 2 1 DC H2'' 2.520 2.170 2.870 2.312 2.312 2.312 . 0 0 "[ ]" 4
96 2 1 DC H3' 2 1 DC H4' 2.530 2.040 3.020 2.717 2.717 2.717 . 0 0 "[ ]" 4
97 2 2 DG H2' 2 2 DG H8 2.270 . 2.550 2.148 2.148 2.148 . 0 0 "[ ]" 4
98 2 2 DG H2'' 2 2 DG H8 2.900 2.080 3.720 3.744 3.744 3.744 0.024 1 0 "[ ]" 4
99 2 2 DG H1' 2 2 DG H3' 3.010 2.030 3.990 3.996 3.996 3.996 0.006 1 0 "[ ]" 4
100 2 2 DG H3' 2 2 DG H4' 2.580 2.200 2.960 2.784 2.784 2.784 . 0 0 "[ ]" 4
101 2 2 DG H3' 2 2 DG H5' 2.830 . 3.720 3.550 3.550 3.550 . 0 0 "[ ]" 4
102 2 2 DG H3' 2 2 DG H5'' 2.900 . 3.880 2.533 2.533 2.533 . 0 0 "[ ]" 4
103 2 2 DG H2'' 2 3 DC H6 2.620 2.300 2.940 2.208 2.208 2.208 0.092 1 0 "[ ]" 4
104 2 2 DG H2' 2 3 DC H5 3.000 2.440 3.560 3.148 3.148 3.148 . 0 0 "[ ]" 4
105 2 3 DC H2' 2 3 DC H6 2.290 2.120 2.460 2.062 2.062 2.062 0.058 1 0 "[ ]" 4
106 2 3 DC H2'' 2 3 DC H6 2.940 2.190 3.690 3.617 3.617 3.617 . 0 0 "[ ]" 4
107 2 3 DC H4' 2 3 DC H6 3.880 2.800 4.960 4.579 4.579 4.579 . 0 0 "[ ]" 4
108 2 3 DC Q5' 2 3 DC H6 3.320 2.560 4.080 3.633 3.633 3.633 . 0 0 "[ ]" 4
109 2 3 DC H1' 2 3 DC H3' 3.060 . 4.450 3.921 3.921 3.921 . 0 0 "[ ]" 4
110 2 4 DG H2'' 2 4 DG H8 3.180 2.050 4.310 3.610 3.610 3.610 . 0 0 "[ ]" 4
111 2 4 DG H5' 2 4 DG H8 3.090 2.290 3.890 3.939 3.939 3.939 0.049 1 0 "[ ]" 4
112 2 4 DG H1' 2 4 DG H2' 3.100 2.220 3.980 2.992 2.992 2.992 . 0 0 "[ ]" 4
113 2 4 DG H1' 2 4 DG H2'' 2.290 . 2.690 2.301 2.301 2.301 . 0 0 "[ ]" 4
114 2 4 DG H2' 2 4 DG H4' 3.990 2.850 5.130 3.884 3.884 3.884 . 0 0 "[ ]" 4
115 2 4 DG H2'' 2 4 DG H4' 3.350 2.400 4.300 3.988 3.988 3.988 . 0 0 "[ ]" 4
116 2 4 DG H3' 2 4 DG H4' 2.580 2.190 2.970 2.749 2.749 2.749 . 0 0 "[ ]" 4
117 2 4 DG H3' 2 4 DG H5' 2.900 . 3.840 3.586 3.586 3.586 . 0 0 "[ ]" 4
118 2 4 DG H3' 2 4 DG H5'' 2.880 . 3.780 2.493 2.493 2.493 . 0 0 "[ ]" 4
119 2 4 DG H1' 2 5 DG H4' 3.830 2.560 5.100 4.234 4.234 4.234 . 0 0 "[ ]" 4
120 2 4 DG H2' 2 5 DG H8 3.420 3.000 3.850 3.443 3.443 3.443 . 0 0 "[ ]" 4
121 2 4 DG H2'' 2 5 DG H8 2.880 2.300 3.470 2.253 2.253 2.253 0.047 1 0 "[ ]" 4
122 2 4 DG H8 2 5 DG H8 5.000 4.600 5.400 4.704 4.704 4.704 . 0 0 "[ ]" 4
123 2 5 DG H2' 2 5 DG H8 2.380 2.070 2.700 2.395 2.395 2.395 . 0 0 "[ ]" 4
124 2 5 DG H2'' 2 5 DG H8 3.460 2.360 4.570 3.948 3.948 3.948 . 0 0 "[ ]" 4
125 2 5 DG H2' 2 6 DA H8 3.460 3.000 3.920 3.060 3.060 3.060 . 0 0 "[ ]" 4
126 2 5 DG H2'' 2 6 DA H8 2.850 2.300 3.400 2.279 2.279 2.279 0.021 1 0 "[ ]" 4
127 2 5 DG H8 2 6 DA H8 5.500 5.000 6.000 4.990 4.990 4.990 0.010 1 0 "[ ]" 4
128 2 6 DA H2' 2 6 DA H8 2.310 . 2.710 2.214 2.214 2.214 . 0 0 "[ ]" 4
129 2 6 DA H2'' 2 6 DA H8 2.920 2.020 3.820 3.764 3.764 3.764 . 0 0 "[ ]" 4
130 2 6 DA H4' 2 6 DA H8 4.500 2.980 6.010 4.923 4.923 4.923 . 0 0 "[ ]" 4
131 2 6 DA Q5' 2 6 DA H8 3.670 2.820 4.520 3.977 3.977 3.977 . 0 0 "[ ]" 4
132 2 6 DA H1' 2 6 DA H4' 3.560 2.620 4.500 3.392 3.392 3.392 . 0 0 "[ ]" 4
133 2 6 DA H3' 2 6 DA H4' 2.480 2.030 2.930 2.808 2.808 2.808 . 0 0 "[ ]" 4
134 2 6 DA H8 2 7 DNR H5 4.070 3.390 4.750 3.416 3.416 3.416 . 0 0 "[ ]" 4
135 2 6 DA H1' 2 7 DNR H5' 4.200 3.400 5.000 3.359 3.359 3.359 0.041 1 0 "[ ]" 4
136 2 6 DA H3' 2 7 DNR H6 4.310 3.630 4.990 4.890 4.890 4.890 . 0 0 "[ ]" 4
137 2 6 DA H8 2 7 DNR H6 5.000 4.600 5.400 4.676 4.676 4.676 . 0 0 "[ ]" 4
138 2 6 DA H1' 2 7 DNR H1' 3.770 2.580 4.960 5.012 5.012 5.012 0.052 1 0 "[ ]" 4
139 2 7 DNR H4' 2 7 DNR H6 4.530 3.440 5.610 4.383 4.383 4.383 . 0 0 "[ ]" 4
140 2 7 DNR H5'' 2 7 DNR H6 3.620 2.700 4.540 4.550 4.550 4.550 0.010 1 0 "[ ]" 4
141 2 7 DNR H2' 2 7 DNR H5 4.210 2.400 6.030 4.477 4.477 4.477 . 0 0 "[ ]" 4
142 2 7 DNR H1' 2 7 DNR H4' 2.910 2.050 3.770 3.051 3.051 3.051 . 0 0 "[ ]" 4
143 2 7 DNR H2'' 2 7 DNR H4' 2.920 . 3.900 3.114 3.114 3.114 . 0 0 "[ ]" 4
144 2 7 DNR H3' 2 7 DNR H5' 3.090 2.090 4.090 3.558 3.558 3.558 . 0 0 "[ ]" 4
145 2 7 DNR H6 2 8 DA H8 5.500 5.000 6.000 5.110 5.110 5.110 . 0 0 "[ ]" 4
146 2 8 DA H4' 2 8 DA H8 4.550 2.590 6.510 4.588 4.588 4.588 . 0 0 "[ ]" 4
147 2 8 DA H5' 2 8 DA H8 3.170 2.320 4.020 3.491 3.491 3.491 . 0 0 "[ ]" 4
148 2 8 DA H5'' 2 8 DA H8 3.880 2.900 4.870 3.945 3.945 3.945 . 0 0 "[ ]" 4
149 2 8 DA H1' 2 8 DA H4' 3.620 2.340 4.900 3.622 3.622 3.622 . 0 0 "[ ]" 4
150 2 8 DA Q2' 2 8 DA H3' 2.540 2.330 2.750 2.163 2.163 2.163 0.167 1 0 "[ ]" 4
151 2 8 DA Q2' 2 8 DA H5'' 3.610 2.340 4.880 3.486 3.486 3.486 . 0 0 "[ ]" 4
152 2 8 DA H3' 2 8 DA H5'' 3.010 2.210 3.810 2.395 2.395 2.395 . 0 0 "[ ]" 4
153 2 8 DA H1' 2 9 DC H1' 4.260 3.130 5.390 4.834 4.834 4.834 . 0 0 "[ ]" 4
154 2 9 DC H2'' 2 9 DC H6 3.180 2.130 4.230 3.550 3.550 3.550 . 0 0 "[ ]" 4
155 2 9 DC H4' 2 9 DC H6 3.460 2.400 4.530 4.547 4.547 4.547 0.017 1 0 "[ ]" 4
156 2 9 DC H1' 2 9 DC H4' 3.410 2.380 4.440 3.508 3.508 3.508 . 0 0 "[ ]" 4
157 2 9 DC H3' 2 9 DC H4' 2.300 . 2.710 2.730 2.730 2.730 0.020 1 0 "[ ]" 4
158 2 9 DC H6 2 10 DC H6 5.000 4.600 5.400 5.266 5.266 5.266 . 0 0 "[ ]" 4
159 2 10 DC H4' 2 10 DC H6 3.740 2.680 4.800 4.576 4.576 4.576 . 0 0 "[ ]" 4
160 2 10 DC Q5' 2 10 DC H6 4.380 3.590 5.170 3.652 3.652 3.652 . 0 0 "[ ]" 4
161 2 10 DC H1' 2 10 DC H2' 2.350 . 3.030 3.010 3.010 3.010 . 0 0 "[ ]" 4
162 2 10 DC H1' 2 10 DC H2'' 2.200 2.050 2.350 2.318 2.318 2.318 . 0 0 "[ ]" 4
163 2 10 DC H2' 2 10 DC H3' 2.430 2.110 2.750 2.302 2.302 2.302 . 0 0 "[ ]" 4
164 2 10 DC H2'' 2 10 DC H3' 2.460 2.230 2.690 2.699 2.699 2.699 0.009 1 0 "[ ]" 4
165 2 10 DC H2' 2 11 DG H8 3.390 3.000 3.780 3.792 3.792 3.792 0.012 1 0 "[ ]" 4
166 2 10 DC H6 2 11 DG H8 5.000 4.600 5.400 5.232 5.232 5.232 . 0 0 "[ ]" 4
167 2 11 DG H1' 2 11 DG H3' 3.270 2.370 4.170 4.013 4.013 4.013 . 0 0 "[ ]" 4
168 2 11 DG H3' 2 11 DG H4' 2.540 2.120 2.960 2.788 2.788 2.788 . 0 0 "[ ]" 4
169 2 11 DG H3' 2 11 DG H5' 2.870 . 3.810 3.535 3.535 3.535 . 0 0 "[ ]" 4
170 2 11 DG H3' 2 11 DG H5'' 2.970 . 3.980 2.604 2.604 2.604 . 0 0 "[ ]" 4
171 2 11 DG H1' 2 12 DC H2' 3.820 2.640 5.000 5.046 5.046 5.046 0.046 1 0 "[ ]" 4
172 2 11 DG H1' 2 12 DC H6 3.120 2.410 3.830 3.695 3.695 3.695 . 0 0 "[ ]" 4
173 2 11 DG H2' 2 12 DC H6 3.480 3.000 3.960 3.509 3.509 3.509 . 0 0 "[ ]" 4
174 2 11 DG H3' 2 12 DC H6 4.260 3.330 5.190 4.634 4.634 4.634 . 0 0 "[ ]" 4
175 2 12 DC H2'' 2 12 DC H6 2.880 2.130 3.630 3.580 3.580 3.580 . 0 0 "[ ]" 4
176 2 12 DC H1' 2 12 DC H5 4.450 3.140 5.750 5.432 5.432 5.432 . 0 0 "[ ]" 4
177 2 12 DC H1' 2 12 DC H2'' 2.200 2.020 2.380 2.245 2.245 2.245 . 0 0 "[ ]" 4
178 2 12 DC H1' 2 12 DC H4' 3.190 2.250 4.130 3.468 3.468 3.468 . 0 0 "[ ]" 4
179 2 12 DC H2' 2 12 DC H3' 2.700 2.190 3.210 2.257 2.257 2.257 . 0 0 "[ ]" 4
180 2 12 DC H2'' 2 12 DC H3' 2.600 2.250 2.950 2.728 2.728 2.728 . 0 0 "[ ]" 4
181 2 12 DC H2' 2 12 DC H4' 3.060 . 4.390 3.921 3.921 3.921 . 0 0 "[ ]" 4
182 2 12 DC H1' 2 13 DG H3' 4.540 3.080 6.000 5.780 5.780 5.780 . 0 0 "[ ]" 4
183 2 12 DC H2'' 2 13 DG H8 2.770 2.290 3.250 2.239 2.239 2.239 0.051 1 0 "[ ]" 4
184 2 13 DG H2'' 2 13 DG H8 2.890 . 3.920 3.582 3.582 3.582 . 0 0 "[ ]" 4
185 2 13 DG H1' 2 13 DG H4' 3.210 2.160 4.260 3.610 3.610 3.610 . 0 0 "[ ]" 4
186 2 13 DG H1' 2 13 DG Q5' 3.930 2.950 4.910 4.330 4.330 4.330 . 0 0 "[ ]" 4
187 2 13 DG H3' 2 13 DG H4' 2.400 2.020 2.780 2.713 2.713 2.713 . 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 18
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.164
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0327
_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 4 DG 0.050 0.050 1 0 "[ ]"
1 5 DG 0.050 0.050 1 0 "[ ]"
1 6 DT 0.034 0.034 1 0 "[ ]"
1 9 DC 0.000 0.000 . 0 "[ ]"
1 11 DG 0.000 0.000 . 0 "[ ]"
1 12 DC 0.000 0.000 . 0 "[ ]"
2 1 DC 0.000 0.000 . 0 "[ ]"
2 2 DG 0.000 0.000 . 0 "[ ]"
2 3 DC 0.003 0.003 1 0 "[ ]"
2 8 DA 0.000 0.000 . 0 "[ ]"
2 9 DC 0.000 0.000 . 0 "[ ]"
2 10 DC 0.000 0.000 . 0 "[ ]"
2 11 DG 0.000 0.000 . 0 "[ ]"
2 12 DC 0.076 0.044 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 H1' 1 2 DG H2' 4.080 3.160 5.000 4.854 4.854 4.854 . 0 0 "[ ]" 5
2 1 4 DG H4' 1 5 DG H8 4.370 2.940 5.800 5.850 5.850 5.850 0.050 1 0 "[ ]" 5
3 1 6 DT H3' 1 6 DT H4' 2.400 . 2.800 2.834 2.834 2.834 0.034 1 0 "[ ]" 5
4 1 6 DT H3' 1 6 DT Q5' 2.900 2.250 3.550 2.280 2.280 2.280 . 0 0 "[ ]" 5
5 1 9 DC H3' 1 9 DC H4' 2.390 . 2.810 2.783 2.783 2.783 . 0 0 "[ ]" 5
6 1 9 DC H3' 1 9 DC Q5' 3.000 2.250 3.750 2.347 2.347 2.347 . 0 0 "[ ]" 5
7 1 11 DG H1' 1 12 DC H3' 4.580 3.150 6.000 5.573 5.573 5.573 . 0 0 "[ ]" 5
8 1 12 DC H4' 1 12 DC H6 3.550 2.520 4.590 4.442 4.442 4.442 . 0 0 "[ ]" 5
9 1 12 DC H3' 1 12 DC H4' 2.450 . 2.970 2.780 2.780 2.780 . 0 0 "[ ]" 5
10 2 1 DC H1' 2 2 DG H2' 4.080 3.160 5.000 4.888 4.888 4.888 . 0 0 "[ ]" 5
11 2 3 DC H2' 2 3 DC H3' 2.770 2.290 3.250 2.287 2.287 2.287 0.003 1 0 "[ ]" 5
12 2 3 DC H2'' 2 3 DC H3' 2.870 2.380 3.350 2.728 2.728 2.728 . 0 0 "[ ]" 5
13 2 8 DA H3' 2 8 DA H4' 2.480 2.170 2.790 2.715 2.715 2.715 . 0 0 "[ ]" 5
14 2 9 DC H6 2 10 DC H5 3.560 2.370 4.750 3.883 3.883 3.883 . 0 0 "[ ]" 5
15 2 10 DC H1' 2 10 DC H6 3.060 2.080 4.040 3.734 3.734 3.734 . 0 0 "[ ]" 5
16 2 11 DG H1' 2 12 DC H3' 4.640 3.290 6.000 5.811 5.811 5.811 . 0 0 "[ ]" 5
17 2 12 DC H4' 2 12 DC H6 3.460 2.400 4.520 4.564 4.564 4.564 0.044 1 0 "[ ]" 5
18 2 12 DC H3' 2 12 DC H4' 2.330 . 2.730 2.761 2.761 2.761 0.031 1 0 "[ ]" 5
stop_
save_
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