NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385849 |
1laq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1laq
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 32
_Distance_constraint_stats_list.Viol_total 1.964
_Distance_constraint_stats_list.Viol_max 0.449
_Distance_constraint_stats_list.Viol_rms 0.0443
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.0614
_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 0.081 0.038 1 0 "[ ]"
1 2 DG 0.157 0.053 1 0 "[ ]"
1 3 DC 0.098 0.044 1 0 "[ ]"
1 4 DG 0.044 0.044 1 0 "[ ]"
1 5 DG 0.008 0.008 1 0 "[ ]"
1 6 DT 0.249 0.173 1 0 "[ ]"
1 7 P 0.173 0.173 1 0 "[ ]"
1 8 DT 0.000 0.000 . 0 "[ ]"
1 9 DC 0.197 0.120 1 0 "[ ]"
1 10 DC 0.016 0.016 1 0 "[ ]"
1 11 DG 0.043 0.027 1 0 "[ ]"
1 12 DC 0.027 0.027 1 0 "[ ]"
1 13 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.054 0.034 1 0 "[ ]"
2 2 DG 0.096 0.038 1 0 "[ ]"
2 3 DC 0.065 0.053 1 0 "[ ]"
2 4 DG 0.055 0.053 1 0 "[ ]"
2 5 DG 0.023 0.023 1 0 "[ ]"
2 6 DA 0.023 0.023 1 0 "[ ]"
2 7 DNR 0.155 0.079 1 0 "[ ]"
2 8 DA 0.907 0.449 1 0 "[ ]"
2 9 DC 0.263 0.245 1 0 "[ ]"
2 10 DC 0.018 0.018 1 0 "[ ]"
2 11 DG 0.030 0.030 1 0 "[ ]"
2 12 DC 0.138 0.108 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 3.712 3.712 3.712 0.032 1 0 "[ ]" 1
2 1 1 DC H2' 1 1 DC H6 2.820 2.200 3.430 2.227 2.227 2.227 . 0 0 "[ ]" 1
3 1 1 DC H3' 1 1 DC H6 3.600 2.710 4.490 3.855 3.855 3.855 . 0 0 "[ ]" 1
4 1 1 DC H4' 1 1 DC H6 4.170 3.110 5.240 4.235 4.235 4.235 . 0 0 "[ ]" 1
5 1 1 DC Q5' 1 1 DC H6 2.650 . 3.320 3.003 3.003 3.003 . 0 0 "[ ]" 1
6 1 1 DC H1' 1 1 DC Q5' 4.880 3.950 5.810 4.337 4.337 4.337 . 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 3.350 3.350 3.350 . 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 2.372 2.372 2.372 . 0 0 "[ ]" 1
11 1 1 DC H1' 1 2 DG H8 2.990 2.220 3.750 3.321 3.321 3.321 . 0 0 "[ ]" 1
12 1 1 DC H2' 1 2 DG H8 3.470 3.000 3.940 3.718 3.718 3.718 . 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 4.855 4.855 4.855 . 0 0 "[ ]" 1
15 1 1 DC H6 1 2 DG H8 5.000 4.600 5.400 5.411 5.411 5.411 0.011 1 0 "[ ]" 1
16 1 2 DG H1' 1 2 DG H8 3.540 2.850 4.220 3.836 3.836 3.836 . 0 0 "[ ]" 1
17 1 2 DG H3' 1 2 DG H8 3.710 2.900 4.510 3.753 3.753 3.753 . 0 0 "[ ]" 1
18 1 2 DG H4' 1 2 DG H8 3.710 2.330 5.090 4.779 4.779 4.779 . 0 0 "[ ]" 1
19 1 2 DG H5' 1 2 DG H8 3.240 2.640 3.830 3.883 3.883 3.883 0.053 1 0 "[ ]" 1
20 1 2 DG H5'' 1 2 DG H8 3.730 2.880 4.580 4.525 4.525 4.525 . 0 0 "[ ]" 1
21 1 2 DG H8 1 3 DC H5 3.490 2.230 4.750 4.053 4.053 4.053 . 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 5.425 5.425 5.425 0.025 1 0 "[ ]" 1
24 1 2 DG H3' 1 3 DC H5 4.160 2.730 5.580 4.763 4.763 4.763 . 0 0 "[ ]" 1
25 1 3 DC H1' 1 3 DC H6 2.960 2.100 3.830 3.727 3.727 3.727 . 0 0 "[ ]" 1
26 1 3 DC H3' 1 3 DC H6 3.380 2.180 4.590 3.561 3.561 3.561 . 0 0 "[ ]" 1
27 1 3 DC H2' 1 4 DG H8 3.420 3.000 3.840 3.040 3.040 3.040 . 0 0 "[ ]" 1
28 1 3 DC H2'' 1 4 DG H8 2.650 2.300 3.000 2.256 2.256 2.256 0.044 1 0 "[ ]" 1
29 1 3 DC H6 1 4 DG H8 5.000 4.600 5.400 4.644 4.644 4.644 . 0 0 "[ ]" 1
30 1 4 DG H3' 1 4 DG H8 3.320 2.060 4.570 4.096 4.096 4.096 . 0 0 "[ ]" 1
31 1 4 DG H4' 1 4 DG H8 5.130 3.970 6.290 4.997 4.997 4.997 . 0 0 "[ ]" 1
32 1 4 DG H1' 1 4 DG H3' 2.930 . 4.070 3.891 3.891 3.891 . 0 0 "[ ]" 1
33 1 4 DG H1' 1 4 DG H4' 3.380 2.500 4.260 3.385 3.385 3.385 . 0 0 "[ ]" 1
34 1 4 DG H1' 1 5 DG H4' 5.000 4.800 5.200 4.932 4.932 4.932 . 0 0 "[ ]" 1
35 1 4 DG H1' 1 5 DG H8 3.020 2.190 3.850 3.327 3.327 3.327 . 0 0 "[ ]" 1
36 1 4 DG H3' 1 5 DG H8 3.860 2.850 4.870 4.820 4.820 4.820 . 0 0 "[ ]" 1
37 1 4 DG H8 1 5 DG H8 5.000 4.600 5.400 5.040 5.040 5.040 . 0 0 "[ ]" 1
38 1 5 DG H3' 1 5 DG H8 4.010 3.250 4.770 3.822 3.822 3.822 . 0 0 "[ ]" 1
39 1 5 DG Q5' 1 5 DG H8 3.760 2.790 4.730 3.856 3.856 3.856 . 0 0 "[ ]" 1
40 1 5 DG H1' 1 5 DG H3' 3.270 2.210 4.330 3.961 3.961 3.961 . 0 0 "[ ]" 1
41 1 5 DG H2' 1 5 DG H4' 3.010 . 4.260 3.927 3.927 3.927 . 0 0 "[ ]" 1
42 1 5 DG H2' 1 6 DT H6 3.490 3.000 3.980 3.642 3.642 3.642 . 0 0 "[ ]" 1
43 1 5 DG H3' 1 6 DT H6 4.330 3.540 5.120 4.692 4.692 4.692 . 0 0 "[ ]" 1
44 1 5 DG H8 1 6 DT H6 5.000 4.600 5.400 5.408 5.408 5.408 0.008 1 0 "[ ]" 1
45 1 6 DT H2' 1 6 DT H6 2.480 2.270 2.690 2.234 2.234 2.234 0.036 1 0 "[ ]" 1
46 1 6 DT H3' 1 6 DT H6 3.520 2.370 4.670 3.558 3.558 3.558 . 0 0 "[ ]" 1
47 1 6 DT H4' 1 6 DT H6 3.510 2.430 4.590 4.514 4.514 4.514 . 0 0 "[ ]" 1
48 1 6 DT Q5' 1 6 DT H6 3.640 2.900 4.380 3.688 3.688 3.688 . 0 0 "[ ]" 1
49 1 6 DT H1' 1 6 DT H2' 2.630 2.200 3.060 2.968 2.968 2.968 . 0 0 "[ ]" 1
50 1 6 DT H2' 1 6 DT H3' 2.550 2.220 2.880 2.256 2.256 2.256 . 0 0 "[ ]" 1
51 1 6 DT H2'' 1 6 DT H3' 2.500 2.250 2.750 2.781 2.781 2.781 0.031 1 0 "[ ]" 1
52 1 6 DT H2' 1 6 DT H4' 3.400 2.220 4.580 3.951 3.951 3.951 . 0 0 "[ ]" 1
53 1 6 DT H6 1 7 P H6A1 4.390 3.740 5.040 3.567 3.567 3.567 0.173 1 0 "[ ]" 1
54 1 6 DT H6 1 7 P H8A2 2.900 . 3.840 2.502 2.502 2.502 . 0 0 "[ ]" 1
55 1 6 DT H6 1 7 P H7A2 3.780 2.830 4.730 4.713 4.713 4.713 . 0 0 "[ ]" 1
56 1 7 P H8 2 8 DA H2 3.250 2.510 3.980 3.521 3.521 3.521 . 0 0 "[ ]" 1
57 1 8 DT H1' 1 8 DT H3' 3.150 . 4.500 3.958 3.958 3.958 . 0 0 "[ ]" 1
58 1 8 DT H3' 1 9 DC H5 4.240 2.830 5.650 4.734 4.734 4.734 . 0 0 "[ ]" 1
59 1 9 DC H2' 1 9 DC H6 2.580 2.170 2.980 2.116 2.116 2.116 0.054 1 0 "[ ]" 1
60 1 9 DC H3' 1 9 DC H6 3.450 2.440 4.460 3.518 3.518 3.518 . 0 0 "[ ]" 1
61 1 9 DC H1' 1 9 DC H2' 2.370 . 2.920 2.942 2.942 2.942 0.022 1 0 "[ ]" 1
62 1 9 DC H2' 1 9 DC H4' 2.880 . 3.780 3.900 3.900 3.900 0.120 1 0 "[ ]" 1
63 1 9 DC H1' 1 10 DC H4' 5.000 4.800 5.200 5.175 5.175 5.175 . 0 0 "[ ]" 1
64 1 10 DC H2' 1 10 DC H4' 3.670 2.750 4.590 3.938 3.938 3.938 . 0 0 "[ ]" 1
65 1 10 DC H1' 1 11 DG H4' 5.000 4.800 5.200 4.784 4.784 4.784 0.016 1 0 "[ ]" 1
66 1 11 DG H3' 1 11 DG H8 3.730 2.860 4.600 3.800 3.800 3.800 . 0 0 "[ ]" 1
67 1 11 DG H4' 1 11 DG H8 4.160 2.880 5.440 4.849 4.849 4.849 . 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 4.641 4.641 4.641 . 0 0 "[ ]" 1
70 1 12 DC H1' 1 12 DC H6 3.170 2.250 4.090 3.731 3.731 3.731 . 0 0 "[ ]" 1
71 1 12 DC H2' 1 12 DC H5 3.500 2.100 4.910 4.184 4.184 4.184 . 0 0 "[ ]" 1
72 1 12 DC H1' 1 12 DC H3' 3.020 2.030 4.020 3.979 3.979 3.979 . 0 0 "[ ]" 1
73 1 12 DC H1' 1 13 DG H8 3.450 2.740 4.160 3.962 3.962 3.962 . 0 0 "[ ]" 1
74 1 12 DC H2' 1 13 DG H8 3.510 3.000 4.020 3.465 3.465 3.465 . 0 0 "[ ]" 1
75 1 13 DG H1' 1 13 DG H8 3.430 2.550 4.310 3.841 3.841 3.841 . 0 0 "[ ]" 1
76 1 13 DG H3' 1 13 DG H8 3.300 2.340 4.260 4.001 4.001 4.001 . 0 0 "[ ]" 1
77 1 13 DG H1' 1 13 DG H2' 2.490 . 3.020 2.982 2.982 2.982 . 0 0 "[ ]" 1
78 1 13 DG H1' 1 13 DG H2'' 2.210 2.050 2.360 2.282 2.282 2.282 . 0 0 "[ ]" 1
79 1 13 DG H1' 1 13 DG H3' 3.620 2.260 4.980 3.955 3.955 3.955 . 0 0 "[ ]" 1
80 1 13 DG H2' 1 13 DG H3' 2.400 2.210 2.590 2.296 2.296 2.296 . 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 3.904 3.904 3.904 . 0 0 "[ ]" 1
84 2 1 DC H4' 2 1 DC H6 4.150 3.050 5.260 4.444 4.444 4.444 . 0 0 "[ ]" 1
85 2 1 DC Q5' 2 1 DC H6 3.290 2.480 4.110 3.353 3.353 3.353 . 0 0 "[ ]" 1
86 2 1 DC H1' 2 1 DC Q5' 4.880 4.140 5.620 4.333 4.333 4.333 . 0 0 "[ ]" 1
87 2 1 DC H2' 2 1 DC H3' 2.590 2.150 3.030 2.303 2.303 2.303 . 0 0 "[ ]" 1
88 2 1 DC H2' 2 1 DC Q5' 3.330 2.640 4.010 3.346 3.346 3.346 . 0 0 "[ ]" 1
89 2 1 DC H2'' 2 1 DC Q5' 4.060 3.120 5.010 4.321 4.321 4.321 . 0 0 "[ ]" 1
90 2 1 DC H3' 2 1 DC Q5' 2.880 2.030 3.730 2.348 2.348 2.348 . 0 0 "[ ]" 1
91 2 1 DC H1' 2 2 DG H4' 5.000 4.800 5.200 4.944 4.944 4.944 . 0 0 "[ ]" 1
92 2 1 DC H1' 2 2 DG H8 3.130 2.380 3.880 3.166 3.166 3.166 . 0 0 "[ ]" 1
93 2 1 DC H2' 2 2 DG H8 3.480 3.000 3.960 3.894 3.894 3.894 . 0 0 "[ ]" 1
94 2 1 DC H2'' 2 2 DG H8 2.650 2.300 3.000 2.266 2.266 2.266 0.034 1 0 "[ ]" 1
95 2 1 DC H3' 2 2 DG H8 4.190 3.240 5.140 4.793 4.793 4.793 . 0 0 "[ ]" 1
96 2 1 DC H6 2 2 DG H8 5.000 4.600 5.400 5.414 5.414 5.414 0.014 1 0 "[ ]" 1
97 2 2 DG H1' 2 2 DG H8 3.380 2.820 3.940 3.847 3.847 3.847 . 0 0 "[ ]" 1
98 2 2 DG H3' 2 2 DG H8 3.720 2.990 4.450 3.731 3.731 3.731 . 0 0 "[ ]" 1
99 2 2 DG H4' 2 2 DG H8 3.750 2.400 5.090 4.709 4.709 4.709 . 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 4.310 4.310 4.310 . 0 0 "[ ]" 1
102 2 2 DG H8 2 3 DC H5 3.650 2.550 4.750 4.368 4.368 4.368 . 0 0 "[ ]" 1
103 2 2 DG H8 2 3 DC H6 5.000 4.600 5.400 5.410 5.410 5.410 0.010 1 0 "[ ]" 1
104 2 2 DG H3' 2 3 DC H5 4.350 2.960 5.740 5.026 5.026 5.026 . 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 3.741 3.741 3.741 . 0 0 "[ ]" 1
107 2 3 DC H1' 2 4 DG H4' 5.000 4.800 5.200 4.798 4.798 4.798 0.002 1 0 "[ ]" 1
108 2 3 DC H1' 2 4 DG H8 3.080 2.140 4.030 3.488 3.488 3.488 . 0 0 "[ ]" 1
109 2 3 DC H2' 2 4 DG H8 3.500 3.000 4.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
110 2 3 DC H2'' 2 4 DG H8 2.680 2.300 3.070 2.247 2.247 2.247 0.053 1 0 "[ ]" 1
111 2 3 DC H3' 2 4 DG H8 4.950 4.120 5.780 4.828 4.828 4.828 . 0 0 "[ ]" 1
112 2 3 DC H6 2 4 DG H8 5.000 4.600 5.400 5.378 5.378 5.378 . 0 0 "[ ]" 1
113 2 4 DG H1' 2 4 DG H8 2.740 . 3.890 3.843 3.843 3.843 . 0 0 "[ ]" 1
114 2 4 DG H3' 2 4 DG H8 3.490 2.680 4.290 3.909 3.909 3.909 . 0 0 "[ ]" 1
115 2 4 DG H4' 2 4 DG H8 4.170 2.340 6.000 4.806 4.806 4.806 . 0 0 "[ ]" 1
116 2 4 DG H5'' 2 4 DG H8 3.870 3.000 4.740 4.415 4.415 4.415 . 0 0 "[ ]" 1
117 2 4 DG H1' 2 4 DG H3' 3.460 2.420 4.500 3.948 3.948 3.948 . 0 0 "[ ]" 1
118 2 4 DG H1' 2 4 DG H4' 3.300 2.190 4.410 3.535 3.535 3.535 . 0 0 "[ ]" 1
119 2 5 DG H3' 2 5 DG H8 3.480 2.540 4.420 3.798 3.798 3.798 . 0 0 "[ ]" 1
120 2 5 DG H4' 2 5 DG H8 5.120 3.470 6.780 4.858 4.858 4.858 . 0 0 "[ ]" 1
121 2 5 DG H1' 2 5 DG H4' 3.290 2.330 4.250 3.225 3.225 3.225 . 0 0 "[ ]" 1
122 1 9 DC H1' 2 6 DA H2 4.170 3.340 5.000 4.638 4.638 4.638 . 0 0 "[ ]" 1
123 2 5 DG H1' 2 6 DA H8 3.050 2.140 3.960 3.983 3.983 3.983 0.023 1 0 "[ ]" 1
124 2 6 DA H1' 2 6 DA H8 3.400 2.640 4.160 3.870 3.870 3.870 . 0 0 "[ ]" 1
125 2 6 DA H1' 2 6 DA H3' 3.630 2.550 4.710 3.927 3.927 3.927 . 0 0 "[ ]" 1
126 2 6 DA H2' 2 6 DA H4' 3.890 2.760 5.020 3.908 3.908 3.908 . 0 0 "[ ]" 1
127 2 6 DA H2 2 7 DNR H1' 4.040 3.080 5.000 4.910 4.910 4.910 . 0 0 "[ ]" 1
128 2 7 DNR H1' 2 7 DNR H2' 2.540 2.050 3.020 2.985 2.985 2.985 . 0 0 "[ ]" 1
129 2 7 DNR H1' 2 7 DNR H3' 3.040 . 4.210 3.903 3.903 3.903 . 0 0 "[ ]" 1
130 2 7 DNR H2' 2 7 DNR H4' 3.320 2.110 4.530 3.908 3.908 3.908 . 0 0 "[ ]" 1
131 2 7 DNR H1' 2 8 DA H8 3.110 2.250 3.970 4.046 4.046 4.046 0.076 1 0 "[ ]" 1
132 2 7 DNR H2' 2 8 DA H8 3.210 2.510 3.900 3.058 3.058 3.058 . 0 0 "[ ]" 1
133 2 7 DNR H2'' 2 8 DA H8 3.050 2.140 3.960 2.061 2.061 2.061 0.079 1 0 "[ ]" 1
134 2 8 DA H1' 2 8 DA H8 2.710 . 3.880 3.832 3.832 3.832 . 0 0 "[ ]" 1
135 2 8 DA Q2' 2 8 DA H8 2.880 2.440 3.320 1.991 1.991 1.991 0.449 1 0 "[ ]" 1
136 2 8 DA H1' 2 8 DA Q2' 2.400 2.040 2.760 2.217 2.217 2.217 . 0 0 "[ ]" 1
137 2 8 DA H1' 2 8 DA H3' 2.830 . 3.860 3.919 3.919 3.919 0.059 1 0 "[ ]" 1
138 2 8 DA Q2' 2 8 DA H4' 3.500 2.310 4.680 3.496 3.496 3.496 . 0 0 "[ ]" 1
139 2 8 DA H8 2 9 DC H5 3.940 3.130 4.750 3.662 3.662 3.662 . 0 0 "[ ]" 1
140 2 8 DA H1' 2 9 DC H6 3.160 2.450 3.870 2.666 2.666 2.666 . 0 0 "[ ]" 1
141 2 8 DA H8 2 9 DC H6 5.000 4.600 5.400 5.046 5.046 5.046 . 0 0 "[ ]" 1
142 2 8 DA H1' 2 9 DC H5 3.370 2.040 4.700 3.575 3.575 3.575 . 0 0 "[ ]" 1
143 2 8 DA Q2' 2 9 DC H5 3.490 2.750 4.230 2.505 2.505 2.505 0.245 1 0 "[ ]" 1
144 2 8 DA H3' 2 9 DC H5 4.160 3.030 5.290 5.037 5.037 5.037 . 0 0 "[ ]" 1
145 2 9 DC H3' 2 9 DC H6 3.630 2.480 4.780 3.806 3.806 3.806 . 0 0 "[ ]" 1
146 2 9 DC H2' 2 9 DC H5 3.160 . 4.660 4.221 4.221 4.221 . 0 0 "[ ]" 1
147 2 9 DC H1' 2 9 DC H2' 3.020 2.270 3.770 2.979 2.979 2.979 . 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 3.055 3.055 3.055 . 0 0 "[ ]" 1
152 2 9 DC H3' 2 10 DC H6 4.120 2.970 5.270 4.832 4.832 4.832 . 0 0 "[ ]" 1
153 2 9 DC H1' 2 10 DC H5 3.540 2.380 4.700 3.763 3.763 3.763 . 0 0 "[ ]" 1
154 2 9 DC H3' 2 10 DC H5 3.650 2.050 5.250 5.035 5.035 5.035 . 0 0 "[ ]" 1
155 2 10 DC H3' 2 10 DC H6 3.800 2.560 5.050 3.875 3.875 3.875 . 0 0 "[ ]" 1
156 2 10 DC H1' 2 11 DG H4' 5.000 4.800 5.200 5.017 5.017 5.017 . 0 0 "[ ]" 1
157 2 11 DG H3' 2 11 DG H8 3.790 2.830 4.750 3.660 3.660 3.660 . 0 0 "[ ]" 1
158 2 11 DG H4' 2 11 DG H8 4.110 2.680 5.530 4.704 4.704 4.704 . 0 0 "[ ]" 1
159 2 11 DG H1' 2 12 DC H4' 5.000 4.800 5.200 4.770 4.770 4.770 0.030 1 0 "[ ]" 1
160 2 11 DG H3' 2 12 DC H5 4.550 3.020 6.080 4.516 4.516 4.516 . 0 0 "[ ]" 1
161 2 12 DC H1' 2 12 DC H6 3.000 2.100 3.900 3.722 3.722 3.722 . 0 0 "[ ]" 1
162 2 12 DC H2' 2 12 DC H5 3.370 . 4.740 4.173 4.173 4.173 . 0 0 "[ ]" 1
163 2 12 DC H1' 2 12 DC H3' 2.880 . 3.800 3.908 3.908 3.908 0.108 1 0 "[ ]" 1
164 2 12 DC H1' 2 13 DG H8 3.400 2.630 4.170 3.763 3.763 3.763 . 0 0 "[ ]" 1
165 2 12 DC H2' 2 13 DG H8 3.490 3.000 3.970 3.637 3.637 3.637 . 0 0 "[ ]" 1
166 2 13 DG H1' 2 13 DG H8 3.270 2.450 4.090 3.844 3.844 3.844 . 0 0 "[ ]" 1
167 2 13 DG H3' 2 13 DG H8 3.240 2.240 4.240 3.950 3.950 3.950 . 0 0 "[ ]" 1
168 2 13 DG H1' 2 13 DG H2' 2.440 . 3.000 2.978 2.978 2.978 . 0 0 "[ ]" 1
169 2 13 DG H1' 2 13 DG H2'' 2.180 2.020 2.340 2.277 2.277 2.277 . 0 0 "[ ]" 1
170 2 13 DG H1' 2 13 DG H3' 3.470 2.040 4.900 3.965 3.965 3.965 . 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 34
_Distance_constraint_stats_list.Viol_total 2.914
_Distance_constraint_stats_list.Viol_max 0.788
_Distance_constraint_stats_list.Viol_rms 0.0926
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0224
_Distance_constraint_stats_list.Viol_average_violations_only 0.0857
_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 0.027 0.027 1 0 "[ ]"
1 3 DC 0.033 0.027 1 0 "[ ]"
1 4 DG 0.055 0.027 1 0 "[ ]"
1 5 DG 0.000 0.000 . 0 "[ ]"
1 6 DT 0.000 0.000 . 0 "[ ]"
1 7 P 0.911 0.656 1 1 [+]
1 8 DT 0.748 0.656 1 1 [+]
1 9 DC 0.047 0.025 1 0 "[ ]"
1 10 DC 0.104 0.079 1 0 "[ ]"
1 11 DG 0.247 0.079 1 0 "[ ]"
1 12 DC 0.144 0.064 1 0 "[ ]"
1 13 DG 0.068 0.056 1 0 "[ ]"
2 1 DC 0.000 0.000 . 0 "[ ]"
2 2 DG 0.017 0.017 1 0 "[ ]"
2 3 DC 0.050 0.033 1 0 "[ ]"
2 4 DG 0.000 0.000 . 0 "[ ]"
2 5 DG 0.000 0.000 . 0 "[ ]"
2 6 DA 0.094 0.078 1 0 "[ ]"
2 7 DNR 0.149 0.078 1 0 "[ ]"
2 8 DA 0.788 0.788 1 1 [+]
2 9 DC 0.867 0.788 1 1 [+]
2 10 DC 0.048 0.044 1 0 "[ ]"
2 11 DG 0.317 0.132 1 0 "[ ]"
2 12 DC 0.288 0.132 1 0 "[ ]"
2 13 DG 0.045 0.045 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 3.755 3.755 3.755 . 0 0 "[ ]" 2
2 1 1 DC H2' 1 1 DC H5 3.120 . 4.360 4.258 4.258 4.258 . 0 0 "[ ]" 2
3 1 1 DC H1' 1 1 DC H3' 2.930 . 3.950 3.911 3.911 3.911 . 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 4.636 4.636 4.636 . 0 0 "[ ]" 2
6 1 2 DG H1' 1 2 DG H4' 2.950 . 3.960 3.470 3.470 3.470 . 0 0 "[ ]" 2
7 1 2 DG H1' 1 3 DC H6 3.250 2.460 4.040 3.513 3.513 3.513 . 0 0 "[ ]" 2
8 1 2 DG H3' 1 3 DC H6 4.200 3.280 5.120 4.779 4.779 4.779 . 0 0 "[ ]" 2
9 1 2 DG H4' 1 3 DC H6 3.970 2.140 5.800 5.827 5.827 5.827 0.027 1 0 "[ ]" 2
10 1 2 DG H1' 1 3 DC H5 3.280 . 4.700 4.134 4.134 4.134 . 0 0 "[ ]" 2
11 1 2 DG H2'' 1 3 DC H5 2.580 2.120 3.040 2.720 2.720 2.720 . 0 0 "[ ]" 2
12 1 3 DC H2' 1 3 DC H5 3.140 . 4.310 4.204 4.204 4.204 . 0 0 "[ ]" 2
13 1 3 DC H1' 1 4 DG H8 3.010 2.200 3.820 3.826 3.826 3.826 0.006 1 0 "[ ]" 2
14 1 3 DC H3' 1 4 DG H8 4.220 3.480 4.970 4.611 4.611 4.611 . 0 0 "[ ]" 2
15 1 4 DG H1' 1 4 DG H8 2.790 . 3.930 3.843 3.843 3.843 . 0 0 "[ ]" 2
16 1 4 DG H2' 1 4 DG H8 2.240 2.020 2.460 2.042 2.042 2.042 . 0 0 "[ ]" 2
17 1 4 DG H5' 1 4 DG H8 3.490 2.720 4.250 4.273 4.273 4.273 0.023 1 0 "[ ]" 2
18 1 4 DG H5'' 1 4 DG H8 3.900 2.980 4.820 4.847 4.847 4.847 0.027 1 0 "[ ]" 2
19 1 4 DG H2' 1 5 DG H8 3.490 3.000 3.970 3.789 3.789 3.789 . 0 0 "[ ]" 2
20 1 5 DG H1' 1 5 DG H8 3.000 2.080 3.930 3.861 3.861 3.861 . 0 0 "[ ]" 2
21 1 5 DG H2' 1 5 DG H8 2.260 2.020 2.500 2.153 2.153 2.153 . 0 0 "[ ]" 2
22 1 5 DG H2'' 1 5 DG H8 3.250 2.240 4.260 3.726 3.726 3.726 . 0 0 "[ ]" 2
23 1 5 DG H1' 1 6 DT H6 3.520 3.040 4.000 3.659 3.659 3.659 . 0 0 "[ ]" 2
24 1 6 DT H1' 1 6 DT H6 3.060 2.320 3.800 3.744 3.744 3.744 . 0 0 "[ ]" 2
25 1 6 DT H6 1 7 P H8A1 3.210 2.280 4.130 4.049 4.049 4.049 . 0 0 "[ ]" 2
26 1 6 DT H6 1 7 P H7A1 4.450 3.410 5.490 5.321 5.321 5.321 . 0 0 "[ ]" 2
27 1 7 P H7A1 1 7 P H8A2 2.440 2.090 2.790 2.979 2.979 2.979 0.189 1 0 "[ ]" 2
28 1 7 P H7A1 1 7 P H8A1 2.850 2.120 3.580 2.423 2.423 2.423 . 0 0 "[ ]" 2
29 1 7 P H7A2 1 7 P H8A2 2.460 2.140 2.780 2.417 2.417 2.417 . 0 0 "[ ]" 2
30 1 7 P H7A2 1 7 P H8A1 2.820 2.190 3.450 2.461 2.461 2.461 . 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 2.355 2.355 2.355 . 0 0 "[ ]" 2
33 1 7 P H1' 1 8 DT H6 3.350 2.890 3.810 3.876 3.876 3.876 0.066 1 0 "[ ]" 2
34 1 7 P H2' 1 8 DT H6 4.150 3.000 5.310 2.344 2.344 2.344 0.656 1 1 [+] 2
35 1 8 DT H1' 1 8 DT H6 2.960 . 3.960 3.712 3.712 3.712 . 0 0 "[ ]" 2
36 1 8 DT H1' 1 9 DC H2' 3.910 2.810 5.000 5.025 5.025 5.025 0.025 1 0 "[ ]" 2
37 1 8 DT H1' 1 9 DC H6 3.130 2.300 3.960 3.519 3.519 3.519 . 0 0 "[ ]" 2
38 1 9 DC H1' 1 9 DC H6 3.110 2.210 4.010 3.736 3.736 3.736 . 0 0 "[ ]" 2
39 1 9 DC H2' 1 9 DC H5 3.250 . 4.670 4.207 4.207 4.207 . 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 4.473 4.473 4.473 . 0 0 "[ ]" 2
42 1 10 DC H2' 1 10 DC H6 2.190 . 2.390 1.987 1.987 1.987 0.003 1 0 "[ ]" 2
43 1 10 DC H3' 1 10 DC H6 3.540 2.600 4.490 3.531 3.531 3.531 . 0 0 "[ ]" 2
44 1 10 DC H1' 1 10 DC H3' 3.870 2.330 5.410 3.957 3.957 3.957 . 0 0 "[ ]" 2
45 1 10 DC H2'' 1 11 DG H8 2.790 2.290 3.290 2.211 2.211 2.211 0.079 1 0 "[ ]" 2
46 1 10 DC H3' 1 11 DG H8 4.230 3.170 5.290 4.574 4.574 4.574 . 0 0 "[ ]" 2
47 1 10 DC H6 1 11 DG H8 5.000 4.600 5.400 4.903 4.903 4.903 . 0 0 "[ ]" 2
48 1 11 DG H2' 1 11 DG H8 2.170 2.010 2.320 2.011 2.011 2.011 . 0 0 "[ ]" 2
49 1 11 DG H2'' 1 11 DG H8 3.000 2.100 3.900 3.590 3.590 3.590 . 0 0 "[ ]" 2
50 1 11 DG H5' 1 11 DG H8 3.250 2.660 3.850 3.923 3.923 3.923 0.073 1 0 "[ ]" 2
51 1 11 DG H5'' 1 11 DG H8 3.830 2.830 4.830 4.578 4.578 4.578 . 0 0 "[ ]" 2
52 1 11 DG H2'' 1 12 DC H6 2.510 2.300 2.730 2.236 2.236 2.236 0.064 1 0 "[ ]" 2
53 1 11 DG H4' 1 12 DC H6 4.450 3.090 5.800 5.578 5.578 5.578 . 0 0 "[ ]" 2
54 1 11 DG H8 1 12 DC H6 5.000 4.600 5.400 5.432 5.432 5.432 0.032 1 0 "[ ]" 2
55 1 11 DG H1' 1 12 DC H5 3.530 2.360 4.700 3.632 3.632 3.632 . 0 0 "[ ]" 2
56 1 11 DG H2' 1 12 DC H5 2.880 2.380 3.380 2.840 2.840 2.840 . 0 0 "[ ]" 2
57 1 11 DG H2'' 1 12 DC H5 2.520 2.040 3.000 2.295 2.295 2.295 . 0 0 "[ ]" 2
58 1 12 DC H2' 1 12 DC H6 2.410 2.150 2.660 2.101 2.101 2.101 0.049 1 0 "[ ]" 2
59 1 12 DC H3' 1 12 DC H6 3.620 2.540 4.700 3.522 3.522 3.522 . 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 4.586 4.586 4.586 . 0 0 "[ ]" 2
62 1 12 DC H6 1 13 DG H8 5.000 4.600 5.400 5.364 5.364 5.364 . 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 4.976 4.976 4.976 . 0 0 "[ ]" 2
65 1 13 DG Q5' 1 13 DG H8 4.020 3.030 5.020 3.833 3.833 3.833 . 0 0 "[ ]" 2
66 1 13 DG H2'' 1 13 DG H3' 2.440 2.190 2.690 2.702 2.702 2.702 0.012 1 0 "[ ]" 2
67 1 13 DG H3' 1 13 DG Q5' 2.780 2.060 3.490 2.419 2.419 2.419 . 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 4.238 4.238 4.238 . 0 0 "[ ]" 2
70 2 1 DC H1' 2 1 DC H3' 2.920 . 3.940 3.863 3.863 3.863 . 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 3.542 3.542 3.542 . 0 0 "[ ]" 2
73 2 2 DG H1' 2 3 DC H4' 4.140 3.180 5.100 4.162 4.162 4.162 . 0 0 "[ ]" 2
74 2 2 DG H1' 2 3 DC H6 3.270 2.420 4.120 3.248 3.248 3.248 . 0 0 "[ ]" 2
75 2 2 DG H3' 2 3 DC H6 4.160 3.270 5.050 4.882 4.882 4.882 . 0 0 "[ ]" 2
76 2 2 DG H4' 2 3 DC H6 3.920 2.030 5.800 5.817 5.817 5.817 0.017 1 0 "[ ]" 2
77 2 2 DG H1' 2 3 DC H5 3.290 . 4.700 4.213 4.213 4.213 . 0 0 "[ ]" 2
78 2 2 DG H2'' 2 3 DC H5 2.490 2.060 2.920 2.886 2.886 2.886 . 0 0 "[ ]" 2
79 2 3 DC H2' 2 3 DC H5 3.260 2.060 4.470 4.244 4.244 4.244 . 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 2.284 2.284 2.284 . 0 0 "[ ]" 2
82 2 4 DG H2' 2 4 DG H8 2.430 2.040 2.820 2.056 2.056 2.056 . 0 0 "[ ]" 2
83 2 4 DG H1' 2 5 DG H8 3.090 2.200 3.980 3.388 3.388 3.388 . 0 0 "[ ]" 2
84 2 5 DG H1' 2 5 DG H8 2.950 2.010 3.890 3.886 3.886 3.886 . 0 0 "[ ]" 2
85 2 5 DG Q5' 2 5 DG H8 3.810 3.110 4.510 4.081 4.081 4.081 . 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 2.265 2.265 2.265 . 0 0 "[ ]" 2
88 2 5 DG H1' 2 5 DG H3' 3.560 2.670 4.450 3.952 3.952 3.952 . 0 0 "[ ]" 2
89 2 6 DA H3' 2 6 DA H8 3.440 2.400 4.480 4.008 4.008 4.008 . 0 0 "[ ]" 2
90 2 6 DA H2'' 2 6 DA H4' 4.470 3.230 5.720 3.922 3.922 3.922 . 0 0 "[ ]" 2
91 2 6 DA H1' 2 7 DNR H6 3.500 3.010 3.980 2.994 2.994 2.994 0.016 1 0 "[ ]" 2
92 2 6 DA H2' 2 7 DNR H6 3.470 3.000 3.940 3.873 3.873 3.873 . 0 0 "[ ]" 2
93 2 6 DA H2'' 2 7 DNR H6 2.650 2.300 3.000 2.222 2.222 2.222 0.078 1 0 "[ ]" 2
94 2 7 DNR H1' 2 7 DNR H6 3.420 2.800 4.040 3.707 3.707 3.707 . 0 0 "[ ]" 2
95 2 7 DNR H2' 2 7 DNR H6 2.870 2.450 3.290 2.394 2.394 2.394 0.056 1 0 "[ ]" 2
96 2 7 DNR H2'' 2 7 DNR H6 3.290 2.330 4.250 3.866 3.866 3.866 . 0 0 "[ ]" 2
97 2 7 DNR H3' 2 7 DNR H6 3.610 2.770 4.440 3.856 3.856 3.856 . 0 0 "[ ]" 2
98 2 7 DNR H5' 2 7 DNR H6 3.400 2.630 4.170 3.666 3.666 3.666 . 0 0 "[ ]" 2
99 2 7 DNR H3' 2 8 DA H8 3.670 2.340 5.000 4.134 4.134 4.134 . 0 0 "[ ]" 2
100 2 8 DA H3' 2 8 DA H8 3.540 2.600 4.470 3.943 3.943 3.943 . 0 0 "[ ]" 2
101 2 8 DA Q2' 2 8 DA H5' 3.250 2.220 4.280 3.793 3.793 3.793 . 0 0 "[ ]" 2
102 2 8 DA Q2' 2 9 DC H6 3.420 3.000 3.840 2.212 2.212 2.212 0.788 1 1 [+] 2
103 2 9 DC H2' 2 9 DC H6 2.330 2.030 2.620 2.028 2.028 2.028 0.002 1 0 "[ ]" 2
104 2 9 DC H1' 2 9 DC H2'' 2.080 . 2.190 2.263 2.263 2.263 0.073 1 0 "[ ]" 2
105 2 9 DC H4' 2 10 DC H6 4.290 2.780 5.800 5.804 5.804 5.804 0.004 1 0 "[ ]" 2
106 2 9 DC H2' 2 10 DC H5 2.750 . 3.630 3.076 3.076 3.076 . 0 0 "[ ]" 2
107 2 9 DC H2'' 2 10 DC H5 2.610 2.160 3.060 2.708 2.708 2.708 . 0 0 "[ ]" 2
108 2 10 DC H2' 2 10 DC H5 3.430 2.140 4.720 4.243 4.243 4.243 . 0 0 "[ ]" 2
109 2 10 DC H1' 2 10 DC H3' 3.960 2.440 5.490 3.880 3.880 3.880 . 0 0 "[ ]" 2
110 2 10 DC H2'' 2 11 DG H8 2.630 2.300 2.960 2.256 2.256 2.256 0.044 1 0 "[ ]" 2
111 2 10 DC H3' 2 11 DG H8 4.430 3.280 5.590 4.899 4.899 4.899 . 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 3.746 3.746 3.746 0.006 1 0 "[ ]" 2
114 2 11 DG H5' 2 11 DG H8 3.170 2.710 3.630 3.687 3.687 3.687 0.057 1 0 "[ ]" 2
115 2 11 DG H5'' 2 11 DG H8 3.750 2.730 4.770 4.392 4.392 4.392 . 0 0 "[ ]" 2
116 2 11 DG H2'' 2 12 DC H6 2.520 2.300 2.740 2.168 2.168 2.168 0.132 1 0 "[ ]" 2
117 2 11 DG H4' 2 12 DC H6 4.210 2.610 5.800 5.843 5.843 5.843 0.043 1 0 "[ ]" 2
118 2 11 DG H8 2 12 DC H6 5.000 4.600 5.400 5.435 5.435 5.435 0.035 1 0 "[ ]" 2
119 2 11 DG H1' 2 12 DC H5 3.460 2.220 4.700 4.184 4.184 4.184 . 0 0 "[ ]" 2
120 2 11 DG H2' 2 12 DC H5 2.850 2.390 3.310 2.676 2.676 2.676 . 0 0 "[ ]" 2
121 2 11 DG H2'' 2 12 DC H5 2.430 2.030 2.840 2.682 2.682 2.682 . 0 0 "[ ]" 2
122 2 12 DC H2' 2 12 DC H6 2.520 2.080 2.960 2.002 2.002 2.002 0.078 1 0 "[ ]" 2
123 2 12 DC H3' 2 12 DC H6 3.770 2.620 4.920 3.594 3.594 3.594 . 0 0 "[ ]" 2
124 2 12 DC H1' 2 12 DC H2' 2.390 . 3.080 2.958 2.958 2.958 . 0 0 "[ ]" 2
125 2 12 DC H3' 2 13 DG H8 4.250 3.250 5.250 4.682 4.682 4.682 . 0 0 "[ ]" 2
126 2 12 DC H6 2 13 DG H8 5.000 4.600 5.400 5.340 5.340 5.340 . 0 0 "[ ]" 2
127 2 13 DG H2' 2 13 DG H8 2.250 2.090 2.400 2.045 2.045 2.045 0.045 1 0 "[ ]" 2
128 2 13 DG H4' 2 13 DG H8 4.720 3.410 6.030 4.908 4.908 4.908 . 0 0 "[ ]" 2
129 2 13 DG Q5' 2 13 DG H8 3.880 2.890 4.870 3.748 3.748 3.748 . 0 0 "[ ]" 2
130 2 13 DG H3' 2 13 DG Q5' 3.000 . 4.000 2.421 2.421 2.421 . 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 187
_Distance_constraint_stats_list.Viol_count 46
_Distance_constraint_stats_list.Viol_total 3.510
_Distance_constraint_stats_list.Viol_max 0.814
_Distance_constraint_stats_list.Viol_rms 0.0788
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0188
_Distance_constraint_stats_list.Viol_average_violations_only 0.0763
_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 0.125 0.099 1 0 "[ ]"
1 3 DC 0.358 0.099 1 0 "[ ]"
1 4 DG 0.086 0.069 1 0 "[ ]"
1 5 DG 0.228 0.106 1 0 "[ ]"
1 6 DT 0.159 0.106 1 0 "[ ]"
1 7 P 0.064 0.063 1 0 "[ ]"
1 8 DT 1.719 0.814 1 1 [+]
1 9 DC 1.093 0.814 1 1 [+]
1 10 DC 0.101 0.046 1 0 "[ ]"
1 11 DG 0.069 0.048 1 0 "[ ]"
1 12 DC 0.069 0.047 1 0 "[ ]"
1 13 DG 0.047 0.047 1 0 "[ ]"
2 1 DC 0.118 0.118 1 0 "[ ]"
2 2 DG 0.113 0.088 1 0 "[ ]"
2 3 DC 0.139 0.088 1 0 "[ ]"
2 4 DG 0.096 0.048 1 0 "[ ]"
2 5 DG 0.101 0.048 1 0 "[ ]"
2 6 DA 0.132 0.045 1 0 "[ ]"
2 7 DNR 0.089 0.045 1 0 "[ ]"
2 8 DA 0.167 0.167 1 0 "[ ]"
2 9 DC 0.020 0.020 1 0 "[ ]"
2 10 DC 0.008 0.008 1 0 "[ ]"
2 11 DG 0.029 0.029 1 0 "[ ]"
2 12 DC 0.081 0.052 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 H1' 1 1 DC H2' 2.510 . 3.020 3.002 3.002 3.002 . 0 0 "[ ]" 3
2 1 1 DC H1' 1 1 DC H2'' 2.460 2.100 2.820 2.314 2.314 2.314 . 0 0 "[ ]" 3
3 1 1 DC H3' 1 1 DC H4' 2.660 2.120 3.190 2.721 2.721 2.721 . 0 0 "[ ]" 3
4 1 2 DG H2' 1 2 DG H8 2.260 . 2.550 2.134 2.134 2.134 . 0 0 "[ ]" 3
5 1 2 DG H2'' 1 2 DG H8 2.880 2.070 3.690 3.716 3.716 3.716 0.026 1 0 "[ ]" 3
6 1 2 DG H1' 1 2 DG H3' 3.040 2.030 4.050 3.975 3.975 3.975 . 0 0 "[ ]" 3
7 1 2 DG H3' 1 2 DG H4' 2.580 2.230 2.930 2.795 2.795 2.795 . 0 0 "[ ]" 3
8 1 2 DG H3' 1 2 DG H5' 2.870 . 3.750 3.547 3.547 3.547 . 0 0 "[ ]" 3
9 1 2 DG H3' 1 2 DG H5'' 2.900 2.080 3.720 2.596 2.596 2.596 . 0 0 "[ ]" 3
10 1 2 DG H2'' 1 3 DC H6 2.540 2.300 2.770 2.201 2.201 2.201 0.099 1 0 "[ ]" 3
11 1 2 DG H2' 1 3 DC H5 2.930 2.380 3.480 2.888 2.888 2.888 . 0 0 "[ ]" 3
12 1 3 DC H2' 1 3 DC H6 2.370 2.140 2.590 2.088 2.088 2.088 0.052 1 0 "[ ]" 3
13 1 3 DC H2'' 1 3 DC H6 2.940 2.230 3.650 3.661 3.661 3.661 0.011 1 0 "[ ]" 3
14 1 3 DC H4' 1 3 DC H6 3.850 2.860 4.850 4.524 4.524 4.524 . 0 0 "[ ]" 3
15 1 3 DC Q5' 1 3 DC H6 3.540 2.900 4.170 3.665 3.665 3.665 . 0 0 "[ ]" 3
16 1 3 DC H1' 1 3 DC H2' 2.390 . 2.900 2.951 2.951 2.951 0.051 1 0 "[ ]" 3
17 1 3 DC H1' 1 3 DC H2'' 2.200 2.030 2.370 2.261 2.261 2.261 . 0 0 "[ ]" 3
18 1 3 DC H1' 1 3 DC H3' 2.920 . 3.880 3.927 3.927 3.927 0.047 1 0 "[ ]" 3
19 1 3 DC H2'' 1 3 DC H3' 2.820 2.370 3.270 2.751 2.751 2.751 . 0 0 "[ ]" 3
20 1 3 DC H2' 1 3 DC H4' 2.730 . 3.800 3.898 3.898 3.898 0.098 1 0 "[ ]" 3
21 1 3 DC H1' 1 4 DG H4' 3.930 2.760 5.100 4.721 4.721 4.721 . 0 0 "[ ]" 3
22 1 4 DG H2'' 1 4 DG H8 3.140 2.190 4.090 3.515 3.515 3.515 . 0 0 "[ ]" 3
23 1 4 DG H1' 1 4 DG H2' 2.970 2.220 3.720 3.011 3.011 3.011 . 0 0 "[ ]" 3
24 1 4 DG H1' 1 4 DG H2'' 2.220 . 2.490 2.322 2.322 2.322 . 0 0 "[ ]" 3
25 1 4 DG H2' 1 4 DG H3' 2.590 2.330 2.850 2.315 2.315 2.315 0.015 1 0 "[ ]" 3
26 1 4 DG H2'' 1 4 DG H3' 2.710 2.280 3.130 2.702 2.702 2.702 . 0 0 "[ ]" 3
27 1 4 DG H3' 1 4 DG H4' 2.540 2.320 2.760 2.762 2.762 2.762 0.002 1 0 "[ ]" 3
28 1 4 DG H3' 1 4 DG H5' 2.940 2.040 3.840 3.575 3.575 3.575 . 0 0 "[ ]" 3
29 1 4 DG H3' 1 4 DG H5'' 2.940 2.110 3.770 2.530 2.530 2.530 . 0 0 "[ ]" 3
30 1 4 DG H2'' 1 5 DG H8 2.810 2.300 3.320 2.231 2.231 2.231 0.069 1 0 "[ ]" 3
31 1 5 DG H4' 1 5 DG H8 3.640 . 5.410 4.850 4.850 4.850 . 0 0 "[ ]" 3
32 1 5 DG H1' 1 5 DG H2' 2.550 2.060 3.050 2.974 2.974 2.974 . 0 0 "[ ]" 3
33 1 5 DG H2'' 1 5 DG H4' 3.530 2.460 4.600 3.868 3.868 3.868 . 0 0 "[ ]" 3
34 1 5 DG H3' 1 5 DG H4' 2.560 2.190 2.930 2.795 2.795 2.795 . 0 0 "[ ]" 3
35 1 5 DG H3' 1 5 DG Q5' 2.780 2.060 3.500 2.382 2.382 2.382 . 0 0 "[ ]" 3
36 1 5 DG H1' 1 6 DT H3' 4.430 2.860 6.000 5.648 5.648 5.648 . 0 0 "[ ]" 3
37 1 5 DG H2'' 1 6 DT H6 2.880 2.300 3.460 2.194 2.194 2.194 0.106 1 0 "[ ]" 3
38 1 5 DG H4' 1 6 DT H6 4.110 2.410 5.800 5.853 5.853 5.853 0.053 1 0 "[ ]" 3
39 1 6 DT H2'' 1 6 DT H6 2.850 . 3.870 3.781 3.781 3.781 . 0 0 "[ ]" 3
40 1 6 DT H1' 1 6 DT H3' 3.450 2.260 4.640 3.949 3.949 3.949 . 0 0 "[ ]" 3
41 1 7 P H1' 1 7 P H8 2.380 2.110 2.650 2.713 2.713 2.713 0.063 1 0 "[ ]" 3
42 1 7 P H1' 1 7 P H3' 3.410 2.440 4.380 3.958 3.958 3.958 . 0 0 "[ ]" 3
43 1 7 P H3' 1 8 DT H6 4.000 3.100 4.890 4.891 4.891 4.891 0.001 1 0 "[ ]" 3
44 1 8 DT Q2' 1 8 DT H6 2.960 2.520 3.400 1.898 1.898 1.898 0.622 1 1 [+] 3
45 1 8 DT H3' 1 8 DT H6 3.430 2.590 4.270 3.471 3.471 3.471 . 0 0 "[ ]" 3
46 1 8 DT H1' 1 8 DT Q2' 2.440 2.020 2.860 2.209 2.209 2.209 . 0 0 "[ ]" 3
47 1 8 DT H1' 1 8 DT H4' 3.190 2.230 4.150 3.344 3.344 3.344 . 0 0 "[ ]" 3
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 "[ ]" 3
49 1 8 DT H3' 1 8 DT Q5' 2.750 2.030 3.470 2.384 2.384 2.384 . 0 0 "[ ]" 3
50 1 8 DT H1' 1 9 DC H3' 4.200 2.400 6.000 5.787 5.787 5.787 . 0 0 "[ ]" 3
51 1 8 DT Q2' 1 9 DC H6 3.370 3.000 3.740 2.186 2.186 2.186 0.814 1 1 [+] 3
52 1 8 DT H3' 1 9 DC H6 3.890 2.990 4.790 4.772 4.772 4.772 . 0 0 "[ ]" 3
53 1 8 DT Q2' 1 9 DC H5 2.920 2.560 3.290 2.422 2.422 2.422 0.138 1 0 "[ ]" 3
54 1 9 DC H4' 1 9 DC H6 3.540 2.490 4.590 4.471 4.471 4.471 . 0 0 "[ ]" 3
55 1 9 DC Q5' 1 9 DC H6 3.540 2.750 4.330 3.559 3.559 3.559 . 0 0 "[ ]" 3
56 1 9 DC H1' 1 9 DC H2'' 2.250 2.080 2.420 2.253 2.253 2.253 . 0 0 "[ ]" 3
57 1 9 DC H1' 1 9 DC H3' 3.150 . 4.430 3.967 3.967 3.967 . 0 0 "[ ]" 3
58 1 9 DC H2' 1 9 DC H3' 2.920 2.320 3.510 2.259 2.259 2.259 0.061 1 0 "[ ]" 3
59 1 9 DC H2'' 1 9 DC H3' 2.520 2.310 2.730 2.757 2.757 2.757 0.027 1 0 "[ ]" 3
60 1 9 DC H2' 1 10 DC H6 3.470 3.000 3.940 3.453 3.453 3.453 . 0 0 "[ ]" 3
61 1 9 DC H4' 1 10 DC H6 4.420 3.040 5.800 5.846 5.846 5.846 0.046 1 0 "[ ]" 3
62 1 9 DC H6 1 10 DC H6 5.000 4.600 5.400 5.407 5.407 5.407 0.007 1 0 "[ ]" 3
63 1 9 DC H2'' 1 10 DC H5 2.480 2.060 2.900 2.706 2.706 2.706 . 0 0 "[ ]" 3
64 1 10 DC H1' 1 10 DC H6 3.080 2.120 4.040 3.721 3.721 3.721 . 0 0 "[ ]" 3
65 1 10 DC H2'' 1 10 DC H6 2.870 2.080 3.660 3.582 3.582 3.582 . 0 0 "[ ]" 3
66 1 10 DC H4' 1 10 DC H6 3.620 2.620 4.620 4.528 4.528 4.528 . 0 0 "[ ]" 3
67 1 10 DC Q5' 1 10 DC H6 3.730 3.050 4.410 3.558 3.558 3.558 . 0 0 "[ ]" 3
68 1 10 DC H2' 1 10 DC H3' 2.520 2.150 2.890 2.268 2.268 2.268 . 0 0 "[ ]" 3
69 1 10 DC H2'' 1 10 DC H3' 2.440 2.170 2.710 2.737 2.737 2.737 0.027 1 0 "[ ]" 3
70 1 10 DC H1' 1 11 DG H8 3.120 2.390 3.850 3.871 3.871 3.871 0.021 1 0 "[ ]" 3
71 1 10 DC H2' 1 11 DG H8 3.480 3.000 3.960 3.254 3.254 3.254 . 0 0 "[ ]" 3
72 1 11 DG H1' 1 11 DG H8 3.100 2.220 3.980 3.818 3.818 3.818 . 0 0 "[ ]" 3
73 1 11 DG H1' 1 11 DG H3' 3.330 2.460 4.200 3.973 3.973 3.973 . 0 0 "[ ]" 3
74 1 11 DG H3' 1 11 DG H4' 2.420 2.140 2.710 2.758 2.758 2.758 0.048 1 0 "[ ]" 3
75 1 11 DG H3' 1 11 DG H5' 2.880 . 3.820 3.557 3.557 3.557 . 0 0 "[ ]" 3
76 1 11 DG H3' 1 11 DG H5'' 3.030 . 4.110 2.626 2.626 2.626 . 0 0 "[ ]" 3
77 1 11 DG H8 1 12 DC H5 3.830 2.910 4.750 3.907 3.907 3.907 . 0 0 "[ ]" 3
78 1 11 DG H1' 1 12 DC H6 3.040 2.340 3.740 3.103 3.103 3.103 . 0 0 "[ ]" 3
79 1 11 DG H2' 1 12 DC H6 3.540 3.000 4.080 3.891 3.891 3.891 . 0 0 "[ ]" 3
80 1 11 DG H3' 1 12 DC H6 4.380 3.500 5.260 4.824 4.824 4.824 . 0 0 "[ ]" 3
81 1 12 DC H2'' 1 12 DC H6 2.920 2.090 3.750 3.677 3.677 3.677 . 0 0 "[ ]" 3
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 "[ ]" 3
83 1 12 DC H1' 1 12 DC H2'' 2.150 . 2.300 2.259 2.259 2.259 . 0 0 "[ ]" 3
84 1 12 DC H1' 1 12 DC H4' 3.150 2.250 4.050 3.535 3.535 3.535 . 0 0 "[ ]" 3
85 1 12 DC H2' 1 12 DC H3' 2.710 2.250 3.170 2.274 2.274 2.274 . 0 0 "[ ]" 3
86 1 12 DC H2'' 1 12 DC H3' 2.650 2.330 2.970 2.754 2.754 2.754 . 0 0 "[ ]" 3
87 1 12 DC H2' 1 12 DC H4' 3.130 . 4.390 3.947 3.947 3.947 . 0 0 "[ ]" 3
88 1 12 DC H1' 1 13 DG H3' 4.560 3.130 6.000 5.759 5.759 5.759 . 0 0 "[ ]" 3
89 1 12 DC H2'' 1 13 DG H8 2.820 2.300 3.340 2.253 2.253 2.253 0.047 1 0 "[ ]" 3
90 1 13 DG H2'' 1 13 DG H8 2.920 . 3.910 3.561 3.561 3.561 . 0 0 "[ ]" 3
91 1 13 DG H1' 1 13 DG H4' 3.200 2.250 4.150 3.607 3.607 3.607 . 0 0 "[ ]" 3
92 1 13 DG H1' 1 13 DG Q5' 3.880 2.890 4.870 4.329 4.329 4.329 . 0 0 "[ ]" 3
93 1 13 DG H3' 1 13 DG H4' 2.440 2.110 2.770 2.714 2.714 2.714 . 0 0 "[ ]" 3
94 2 1 DC H1' 2 1 DC H2' 2.370 . 2.850 2.968 2.968 2.968 0.118 1 0 "[ ]" 3
95 2 1 DC H1' 2 1 DC H2'' 2.520 2.170 2.870 2.313 2.313 2.313 . 0 0 "[ ]" 3
96 2 1 DC H3' 2 1 DC H4' 2.530 2.040 3.020 2.718 2.718 2.718 . 0 0 "[ ]" 3
97 2 2 DG H2' 2 2 DG H8 2.270 . 2.550 2.154 2.154 2.154 . 0 0 "[ ]" 3
98 2 2 DG H2'' 2 2 DG H8 2.900 2.080 3.720 3.745 3.745 3.745 0.025 1 0 "[ ]" 3
99 2 2 DG H1' 2 2 DG H3' 3.010 2.030 3.990 3.990 3.990 3.990 0.000 1 0 "[ ]" 3
100 2 2 DG H3' 2 2 DG H4' 2.580 2.200 2.960 2.780 2.780 2.780 . 0 0 "[ ]" 3
101 2 2 DG H3' 2 2 DG H5' 2.830 . 3.720 3.557 3.557 3.557 . 0 0 "[ ]" 3
102 2 2 DG H3' 2 2 DG H5'' 2.900 . 3.880 2.520 2.520 2.520 . 0 0 "[ ]" 3
103 2 2 DG H2'' 2 3 DC H6 2.620 2.300 2.940 2.212 2.212 2.212 0.088 1 0 "[ ]" 3
104 2 2 DG H2' 2 3 DC H5 3.000 2.440 3.560 3.160 3.160 3.160 . 0 0 "[ ]" 3
105 2 3 DC H2' 2 3 DC H6 2.290 2.120 2.460 2.069 2.069 2.069 0.051 1 0 "[ ]" 3
106 2 3 DC H2'' 2 3 DC H6 2.940 2.190 3.690 3.624 3.624 3.624 . 0 0 "[ ]" 3
107 2 3 DC H4' 2 3 DC H6 3.880 2.800 4.960 4.571 4.571 4.571 . 0 0 "[ ]" 3
108 2 3 DC Q5' 2 3 DC H6 3.320 2.560 4.080 3.622 3.622 3.622 . 0 0 "[ ]" 3
109 2 3 DC H1' 2 3 DC H3' 3.060 . 4.450 3.919 3.919 3.919 . 0 0 "[ ]" 3
110 2 4 DG H2'' 2 4 DG H8 3.180 2.050 4.310 3.621 3.621 3.621 . 0 0 "[ ]" 3
111 2 4 DG H5' 2 4 DG H8 3.090 2.290 3.890 3.935 3.935 3.935 0.045 1 0 "[ ]" 3
112 2 4 DG H1' 2 4 DG H2' 3.100 2.220 3.980 2.993 2.993 2.993 . 0 0 "[ ]" 3
113 2 4 DG H1' 2 4 DG H2'' 2.290 . 2.690 2.302 2.302 2.302 . 0 0 "[ ]" 3
114 2 4 DG H2' 2 4 DG H4' 3.990 2.850 5.130 3.884 3.884 3.884 . 0 0 "[ ]" 3
115 2 4 DG H2'' 2 4 DG H4' 3.350 2.400 4.300 3.985 3.985 3.985 . 0 0 "[ ]" 3
116 2 4 DG H3' 2 4 DG H4' 2.580 2.190 2.970 2.752 2.752 2.752 . 0 0 "[ ]" 3
117 2 4 DG H3' 2 4 DG H5' 2.900 . 3.840 3.584 3.584 3.584 . 0 0 "[ ]" 3
118 2 4 DG H3' 2 4 DG H5'' 2.880 . 3.780 2.494 2.494 2.494 . 0 0 "[ ]" 3
119 2 4 DG H1' 2 5 DG H4' 3.830 2.560 5.100 4.119 4.119 4.119 . 0 0 "[ ]" 3
120 2 4 DG H2' 2 5 DG H8 3.420 3.000 3.850 3.367 3.367 3.367 . 0 0 "[ ]" 3
121 2 4 DG H2'' 2 5 DG H8 2.880 2.300 3.470 2.252 2.252 2.252 0.048 1 0 "[ ]" 3
122 2 4 DG H8 2 5 DG H8 5.000 4.600 5.400 4.597 4.597 4.597 0.003 1 0 "[ ]" 3
123 2 5 DG H2' 2 5 DG H8 2.380 2.070 2.700 2.430 2.430 2.430 . 0 0 "[ ]" 3
124 2 5 DG H2'' 2 5 DG H8 3.460 2.360 4.570 3.974 3.974 3.974 . 0 0 "[ ]" 3
125 2 5 DG H2' 2 6 DA H8 3.460 3.000 3.920 3.016 3.016 3.016 . 0 0 "[ ]" 3
126 2 5 DG H2'' 2 6 DA H8 2.850 2.300 3.400 2.277 2.277 2.277 0.023 1 0 "[ ]" 3
127 2 5 DG H8 2 6 DA H8 5.500 5.000 6.000 4.973 4.973 4.973 0.027 1 0 "[ ]" 3
128 2 6 DA H2' 2 6 DA H8 2.310 . 2.710 2.159 2.159 2.159 . 0 0 "[ ]" 3
129 2 6 DA H2'' 2 6 DA H8 2.920 2.020 3.820 3.685 3.685 3.685 . 0 0 "[ ]" 3
130 2 6 DA H4' 2 6 DA H8 4.500 2.980 6.010 4.957 4.957 4.957 . 0 0 "[ ]" 3
131 2 6 DA Q5' 2 6 DA H8 3.670 2.820 4.520 4.022 4.022 4.022 . 0 0 "[ ]" 3
132 2 6 DA H1' 2 6 DA H4' 3.560 2.620 4.500 3.375 3.375 3.375 . 0 0 "[ ]" 3
133 2 6 DA H3' 2 6 DA H4' 2.480 2.030 2.930 2.803 2.803 2.803 . 0 0 "[ ]" 3
134 2 6 DA H8 2 7 DNR H5 4.070 3.390 4.750 3.988 3.988 3.988 . 0 0 "[ ]" 3
135 2 6 DA H1' 2 7 DNR H5' 4.200 3.400 5.000 3.368 3.368 3.368 0.032 1 0 "[ ]" 3
136 2 6 DA H3' 2 7 DNR H6 4.310 3.630 4.990 4.822 4.822 4.822 . 0 0 "[ ]" 3
137 2 6 DA H8 2 7 DNR H6 5.000 4.600 5.400 5.405 5.405 5.405 0.005 1 0 "[ ]" 3
138 2 6 DA H1' 2 7 DNR H1' 3.770 2.580 4.960 5.005 5.005 5.005 0.045 1 0 "[ ]" 3
139 2 7 DNR H4' 2 7 DNR H6 4.530 3.440 5.610 4.377 4.377 4.377 . 0 0 "[ ]" 3
140 2 7 DNR H5'' 2 7 DNR H6 3.620 2.700 4.540 4.078 4.078 4.078 . 0 0 "[ ]" 3
141 2 7 DNR H2' 2 7 DNR H5 4.210 2.400 6.030 4.414 4.414 4.414 . 0 0 "[ ]" 3
142 2 7 DNR H1' 2 7 DNR H4' 2.910 2.050 3.770 3.379 3.379 3.379 . 0 0 "[ ]" 3
143 2 7 DNR H2'' 2 7 DNR H4' 2.920 . 3.900 3.907 3.907 3.907 0.007 1 0 "[ ]" 3
144 2 7 DNR H3' 2 7 DNR H5' 3.090 2.090 4.090 3.553 3.553 3.553 . 0 0 "[ ]" 3
145 2 7 DNR H6 2 8 DA H8 5.500 5.000 6.000 5.245 5.245 5.245 . 0 0 "[ ]" 3
146 2 8 DA H4' 2 8 DA H8 4.550 2.590 6.510 4.923 4.923 4.923 . 0 0 "[ ]" 3
147 2 8 DA H5' 2 8 DA H8 3.170 2.320 4.020 3.960 3.960 3.960 . 0 0 "[ ]" 3
148 2 8 DA H5'' 2 8 DA H8 3.880 2.900 4.870 4.555 4.555 4.555 . 0 0 "[ ]" 3
149 2 8 DA H1' 2 8 DA H4' 3.620 2.340 4.900 3.529 3.529 3.529 . 0 0 "[ ]" 3
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 "[ ]" 3
151 2 8 DA Q2' 2 8 DA H5'' 3.610 2.340 4.880 3.720 3.720 3.720 . 0 0 "[ ]" 3
152 2 8 DA H3' 2 8 DA H5'' 3.010 2.210 3.810 2.537 2.537 2.537 . 0 0 "[ ]" 3
153 2 8 DA H1' 2 9 DC H1' 4.260 3.130 5.390 4.721 4.721 4.721 . 0 0 "[ ]" 3
154 2 9 DC H2'' 2 9 DC H6 3.180 2.130 4.230 3.579 3.579 3.579 . 0 0 "[ ]" 3
155 2 9 DC H4' 2 9 DC H6 3.460 2.400 4.530 4.523 4.523 4.523 . 0 0 "[ ]" 3
156 2 9 DC H1' 2 9 DC H4' 3.410 2.380 4.440 3.517 3.517 3.517 . 0 0 "[ ]" 3
157 2 9 DC H3' 2 9 DC H4' 2.300 . 2.710 2.730 2.730 2.730 0.020 1 0 "[ ]" 3
158 2 9 DC H6 2 10 DC H6 5.000 4.600 5.400 5.250 5.250 5.250 . 0 0 "[ ]" 3
159 2 10 DC H4' 2 10 DC H6 3.740 2.680 4.800 4.592 4.592 4.592 . 0 0 "[ ]" 3
160 2 10 DC Q5' 2 10 DC H6 4.380 3.590 5.170 3.656 3.656 3.656 . 0 0 "[ ]" 3
161 2 10 DC H1' 2 10 DC H2' 2.350 . 3.030 3.013 3.013 3.013 . 0 0 "[ ]" 3
162 2 10 DC H1' 2 10 DC H2'' 2.200 2.050 2.350 2.320 2.320 2.320 . 0 0 "[ ]" 3
163 2 10 DC H2' 2 10 DC H3' 2.430 2.110 2.750 2.302 2.302 2.302 . 0 0 "[ ]" 3
164 2 10 DC H2'' 2 10 DC H3' 2.460 2.230 2.690 2.698 2.698 2.698 0.008 1 0 "[ ]" 3
165 2 10 DC H2' 2 11 DG H8 3.390 3.000 3.780 3.763 3.763 3.763 . 0 0 "[ ]" 3
166 2 10 DC H6 2 11 DG H8 5.000 4.600 5.400 5.153 5.153 5.153 . 0 0 "[ ]" 3
167 2 11 DG H1' 2 11 DG H3' 3.270 2.370 4.170 3.996 3.996 3.996 . 0 0 "[ ]" 3
168 2 11 DG H3' 2 11 DG H4' 2.540 2.120 2.960 2.787 2.787 2.787 . 0 0 "[ ]" 3
169 2 11 DG H3' 2 11 DG H5' 2.870 . 3.810 3.536 3.536 3.536 . 0 0 "[ ]" 3
170 2 11 DG H3' 2 11 DG H5'' 2.970 . 3.980 2.639 2.639 2.639 . 0 0 "[ ]" 3
171 2 11 DG H1' 2 12 DC H2' 3.820 2.640 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 3
172 2 11 DG H1' 2 12 DC H6 3.120 2.410 3.830 3.618 3.618 3.618 . 0 0 "[ ]" 3
173 2 11 DG H2' 2 12 DC H6 3.480 3.000 3.960 3.573 3.573 3.573 . 0 0 "[ ]" 3
174 2 11 DG H3' 2 12 DC H6 4.260 3.330 5.190 4.681 4.681 4.681 . 0 0 "[ ]" 3
175 2 12 DC H2'' 2 12 DC H6 2.880 2.130 3.630 3.583 3.583 3.583 . 0 0 "[ ]" 3
176 2 12 DC H1' 2 12 DC H5 4.450 3.140 5.750 5.432 5.432 5.432 . 0 0 "[ ]" 3
177 2 12 DC H1' 2 12 DC H2'' 2.200 2.020 2.380 2.249 2.249 2.249 . 0 0 "[ ]" 3
178 2 12 DC H1' 2 12 DC H4' 3.190 2.250 4.130 3.458 3.458 3.458 . 0 0 "[ ]" 3
179 2 12 DC H2' 2 12 DC H3' 2.700 2.190 3.210 2.258 2.258 2.258 . 0 0 "[ ]" 3
180 2 12 DC H2'' 2 12 DC H3' 2.600 2.250 2.950 2.726 2.726 2.726 . 0 0 "[ ]" 3
181 2 12 DC H2' 2 12 DC H4' 3.060 . 4.390 3.919 3.919 3.919 . 0 0 "[ ]" 3
182 2 12 DC H1' 2 13 DG H3' 4.540 3.080 6.000 5.788 5.788 5.788 . 0 0 "[ ]" 3
183 2 12 DC H2'' 2 13 DG H8 2.770 2.290 3.250 2.238 2.238 2.238 0.052 1 0 "[ ]" 3
184 2 13 DG H2'' 2 13 DG H8 2.890 . 3.920 3.599 3.599 3.599 . 0 0 "[ ]" 3
185 2 13 DG H1' 2 13 DG H4' 3.210 2.160 4.260 3.616 3.616 3.616 . 0 0 "[ ]" 3
186 2 13 DG H1' 2 13 DG Q5' 3.930 2.950 4.910 4.332 4.332 4.332 . 0 0 "[ ]" 3
187 2 13 DG H3' 2 13 DG H4' 2.400 2.020 2.780 2.711 2.711 2.711 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 77
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 1.017
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0309
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0132
_Distance_constraint_stats_list.Viol_average_violations_only 0.0535
_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 4 DG 0.067 0.067 1 0 "[ ]"
1 5 DG 0.067 0.067 1 0 "[ ]"
1 6 DT 0.039 0.039 1 0 "[ ]"
1 8 DT 0.000 0.000 . 0 "[ ]"
1 9 DC 0.119 0.110 1 0 "[ ]"
1 10 DC 0.110 0.110 1 0 "[ ]"
1 11 DG 0.000 0.000 . 0 "[ ]"
1 12 DC 0.035 0.035 1 0 "[ ]"
1 13 DG 0.117 0.082 1 0 "[ ]"
2 1 DC 0.158 0.158 1 0 "[ ]"
2 2 DG 0.000 0.000 . 0 "[ ]"
2 3 DC 0.001 0.001 1 0 "[ ]"
2 5 DG 0.000 0.000 . 0 "[ ]"
2 6 DA 0.000 0.000 . 0 "[ ]"
2 7 DNR 0.096 0.096 1 0 "[ ]"
2 8 DA 0.000 0.000 . 0 "[ ]"
2 9 DC 0.124 0.085 1 0 "[ ]"
2 10 DC 0.156 0.085 1 0 "[ ]"
2 11 DG 0.000 0.000 . 0 "[ ]"
2 12 DC 0.103 0.040 1 0 "[ ]"
2 13 DG 0.122 0.092 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 3.575 3.575 3.575 . 0 0 "[ ]" 4
2 1 1 DC H2' 1 1 DC H4' 2.870 . 3.990 3.836 3.836 3.836 . 0 0 "[ ]" 4
3 1 1 DC H2'' 1 1 DC H4' 3.160 2.150 4.160 4.044 4.044 4.044 . 0 0 "[ ]" 4
4 1 2 DG H2' 1 3 DC H6 3.480 3.000 3.960 3.680 3.680 3.680 . 0 0 "[ ]" 4
5 1 3 DC H1' 1 3 DC H5 5.500 4.250 6.750 5.439 5.439 5.439 . 0 0 "[ ]" 4
6 1 3 DC H1' 1 3 DC H4' 3.230 2.400 4.060 3.368 3.368 3.368 . 0 0 "[ ]" 4
7 1 3 DC H2' 1 3 DC H3' 2.620 2.080 3.160 2.246 2.246 2.246 . 0 0 "[ ]" 4
8 1 3 DC H3' 1 3 DC H4' 2.340 . 2.730 2.786 2.786 2.786 0.056 1 0 "[ ]" 4
9 1 5 DG H1' 1 5 DG H4' 3.380 2.400 4.370 3.443 3.443 3.443 . 0 0 "[ ]" 4
10 1 8 DT H4' 1 8 DT H6 3.730 2.290 5.170 4.642 4.642 4.642 . 0 0 "[ ]" 4
11 1 8 DT Q5' 1 8 DT H6 3.440 2.500 4.380 3.847 3.847 3.847 . 0 0 "[ ]" 4
12 1 8 DT H1' 1 8 DT Q5' 3.830 2.580 5.080 4.351 4.351 4.351 . 0 0 "[ ]" 4
13 1 8 DT H3' 1 8 DT H4' 2.540 2.180 2.910 2.839 2.839 2.839 . 0 0 "[ ]" 4
14 1 8 DT H1' 1 9 DC H4' 3.770 2.440 5.100 4.796 4.796 4.796 . 0 0 "[ ]" 4
15 1 8 DT H4' 1 9 DC H6 4.430 3.070 5.800 5.615 5.615 5.615 . 0 0 "[ ]" 4
16 1 9 DC H2'' 1 9 DC H6 2.830 . 3.680 3.689 3.689 3.689 0.009 1 0 "[ ]" 4
17 1 9 DC H6 1 10 DC H5 3.580 2.410 4.750 3.904 3.904 3.904 . 0 0 "[ ]" 4
18 1 9 DC H2'' 1 10 DC H6 2.930 2.300 3.560 2.190 2.190 2.190 0.110 1 0 "[ ]" 4
19 1 9 DC H2' 1 10 DC H5 2.910 2.270 3.550 2.488 2.488 2.488 . 0 0 "[ ]" 4
20 1 10 DC H2' 1 10 DC H5 3.190 2.170 4.210 4.156 4.156 4.156 . 0 0 "[ ]" 4
21 1 10 DC H1' 1 10 DC H2' 2.500 . 3.220 2.970 2.970 2.970 . 0 0 "[ ]" 4
22 1 10 DC H1' 1 10 DC H2'' 2.210 . 2.450 2.265 2.265 2.265 . 0 0 "[ ]" 4
23 1 12 DC H2'' 1 12 DC H4' 3.070 2.130 4.010 3.904 3.904 3.904 . 0 0 "[ ]" 4
24 1 12 DC H1' 1 13 DG H2' 4.040 3.080 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 4
25 1 13 DG H2' 1 13 DG H4' 3.310 2.210 4.410 3.871 3.871 3.871 . 0 0 "[ ]" 4
26 1 13 DG H2'' 1 13 DG H4' 3.040 2.170 3.900 3.982 3.982 3.982 0.082 1 0 "[ ]" 4
27 2 1 DC H1' 2 1 DC H4' 3.100 2.150 4.060 3.472 3.472 3.472 . 0 0 "[ ]" 4
28 2 1 DC H2' 2 1 DC H4' 2.690 . 3.610 3.768 3.768 3.768 0.158 1 0 "[ ]" 4
29 2 1 DC H2'' 2 1 DC H4' 3.330 2.210 4.450 4.018 4.018 4.018 . 0 0 "[ ]" 4
30 2 2 DG H2' 2 3 DC H6 3.500 3.000 4.000 3.702 3.702 3.702 . 0 0 "[ ]" 4
31 2 3 DC H1' 2 3 DC H5 4.660 3.580 5.740 5.439 5.439 5.439 . 0 0 "[ ]" 4
32 2 3 DC H1' 2 3 DC H4' 3.170 2.270 4.060 3.422 3.422 3.422 . 0 0 "[ ]" 4
33 2 3 DC H3' 2 3 DC H4' 2.360 . 2.800 2.782 2.782 2.782 . 0 0 "[ ]" 4
34 2 5 DG H2' 2 5 DG H4' 3.340 2.350 4.340 3.958 3.958 3.958 . 0 0 "[ ]" 4
35 2 5 DG H3' 2 5 DG Q5' 2.900 2.100 3.700 2.458 2.458 2.458 . 0 0 "[ ]" 4
36 2 6 DA H3' 2 6 DA Q5' 2.900 2.110 3.690 2.390 2.390 2.390 . 0 0 "[ ]" 4
37 2 6 DA H1' 2 7 DNR H3' 4.110 2.220 6.000 5.786 5.786 5.786 . 0 0 "[ ]" 4
38 2 7 DNR H1' 2 7 DNR H2'' 2.240 2.040 2.440 2.267 2.267 2.267 . 0 0 "[ ]" 4
39 2 7 DNR H1' 2 7 DNR H5' 3.940 3.230 4.650 4.746 4.746 4.746 0.096 1 0 "[ ]" 4
40 2 7 DNR H2' 2 7 DNR H3' 2.430 2.130 2.730 2.288 2.288 2.288 . 0 0 "[ ]" 4
41 2 7 DNR H2'' 2 7 DNR H3' 2.480 2.150 2.810 2.722 2.722 2.722 . 0 0 "[ ]" 4
42 2 7 DNR H3' 2 7 DNR H4' 2.500 2.140 2.870 2.787 2.787 2.787 . 0 0 "[ ]" 4
43 2 8 DA H3' 2 8 DA H5' 3.040 2.140 3.940 3.540 3.540 3.540 . 0 0 "[ ]" 4
44 2 8 DA H2 2 9 DC H1' 4.270 3.540 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 4
45 2 8 DA H3' 2 9 DC H6 4.120 3.170 5.060 4.852 4.852 4.852 . 0 0 "[ ]" 4
46 2 9 DC H1' 2 9 DC H6 2.760 . 3.710 3.722 3.722 3.722 0.012 1 0 "[ ]" 4
47 2 9 DC H2' 2 10 DC H6 3.380 3.000 3.760 3.779 3.779 3.779 0.019 1 0 "[ ]" 4
48 2 9 DC H2'' 2 10 DC H6 2.610 2.300 2.920 2.215 2.215 2.215 0.085 1 0 "[ ]" 4
49 2 9 DC H5 2 10 DC H5 3.540 2.350 4.730 4.737 4.737 4.737 0.007 1 0 "[ ]" 4
50 2 10 DC H2' 2 10 DC H6 2.630 2.100 3.170 2.056 2.056 2.056 0.044 1 0 "[ ]" 4
51 2 10 DC H2'' 2 10 DC H6 2.920 2.010 3.830 3.584 3.584 3.584 . 0 0 "[ ]" 4
52 2 10 DC H2' 2 10 DC H4' 3.410 2.490 4.330 3.867 3.867 3.867 . 0 0 "[ ]" 4
53 2 10 DC H1' 2 11 DG H8 3.160 2.420 3.890 3.183 3.183 3.183 . 0 0 "[ ]" 4
54 2 11 DG H1' 2 11 DG H8 3.060 2.180 3.940 3.835 3.835 3.835 . 0 0 "[ ]" 4
55 2 11 DG H8 2 12 DC H5 3.810 2.870 4.750 4.005 4.005 4.005 . 0 0 "[ ]" 4
56 2 12 DC H2'' 2 12 DC H4' 3.080 2.170 3.980 3.908 3.908 3.908 . 0 0 "[ ]" 4
57 2 12 DC H1' 2 13 DG H2' 4.070 3.140 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 4
58 2 13 DG H2' 2 13 DG H4' 3.250 2.170 4.330 3.878 3.878 3.878 . 0 0 "[ ]" 4
59 2 13 DG H2'' 2 13 DG H4' 2.980 2.080 3.880 3.972 3.972 3.972 0.092 1 0 "[ ]" 4
60 1 1 DC H1' 1 2 DG H2' 4.080 3.160 5.000 4.790 4.790 4.790 . 0 0 "[ ]" 4
61 1 4 DG H4' 1 5 DG H8 4.370 2.940 5.800 5.867 5.867 5.867 0.067 1 0 "[ ]" 4
62 1 6 DT H3' 1 6 DT H4' 2.400 . 2.800 2.839 2.839 2.839 0.039 1 0 "[ ]" 4
63 1 6 DT H3' 1 6 DT Q5' 2.900 2.250 3.550 2.273 2.273 2.273 . 0 0 "[ ]" 4
64 1 9 DC H3' 1 9 DC H4' 2.390 . 2.810 2.785 2.785 2.785 . 0 0 "[ ]" 4
65 1 9 DC H3' 1 9 DC Q5' 3.000 2.250 3.750 2.330 2.330 2.330 . 0 0 "[ ]" 4
66 1 11 DG H1' 1 12 DC H3' 4.580 3.150 6.000 5.558 5.558 5.558 . 0 0 "[ ]" 4
67 1 12 DC H4' 1 12 DC H6 3.550 2.520 4.590 4.433 4.433 4.433 . 0 0 "[ ]" 4
68 1 12 DC H3' 1 12 DC H4' 2.450 . 2.970 2.779 2.779 2.779 . 0 0 "[ ]" 4
69 2 1 DC H1' 2 2 DG H2' 4.080 3.160 5.000 4.856 4.856 4.856 . 0 0 "[ ]" 4
70 2 3 DC H2' 2 3 DC H3' 2.770 2.290 3.250 2.289 2.289 2.289 0.001 1 0 "[ ]" 4
71 2 3 DC H2'' 2 3 DC H3' 2.870 2.380 3.350 2.727 2.727 2.727 . 0 0 "[ ]" 4
72 2 8 DA H3' 2 8 DA H4' 2.480 2.170 2.790 2.745 2.745 2.745 . 0 0 "[ ]" 4
73 2 9 DC H6 2 10 DC H5 3.560 2.370 4.750 3.958 3.958 3.958 . 0 0 "[ ]" 4
74 2 10 DC H1' 2 10 DC H6 3.060 2.080 4.040 3.735 3.735 3.735 . 0 0 "[ ]" 4
75 2 11 DG H1' 2 12 DC H3' 4.640 3.290 6.000 5.778 5.778 5.778 . 0 0 "[ ]" 4
76 2 12 DC H4' 2 12 DC H6 3.460 2.400 4.520 4.560 4.560 4.560 0.040 1 0 "[ ]" 4
77 2 12 DC H3' 2 12 DC H4' 2.330 . 2.730 2.763 2.763 2.763 0.033 1 0 "[ ]" 4
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