NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476255 |
1bwt   |
4235 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bwt
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 353
_Distance_constraint_stats_list.Viol_count 113
_Distance_constraint_stats_list.Viol_total 41.287
_Distance_constraint_stats_list.Viol_max 1.516
_Distance_constraint_stats_list.Viol_rms 0.2923
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1170
_Distance_constraint_stats_list.Viol_average_violations_only 0.3654
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.419 0.169 1 0 "[ ]"
1 2 DC 4.555 1.221 1 1 [+]
1 3 DG 1.848 0.985 1 1 [+]
1 4 DA 0.806 0.440 1 0 "[ ]"
1 5 DA 4.870 1.119 1 1 [+]
1 6 DT 10.312 1.456 1 1 [+]
1 7 DT 9.338 1.516 1 1 [+]
1 8 DC 5.874 1.402 1 1 [+]
1 9 DG 1.446 1.003 1 1 [+]
1 10 DC 0.272 0.158 1 0 "[ ]"
2 1 DG 0.369 0.157 1 0 "[ ]"
2 2 DC 4.390 1.222 1 1 [+]
2 3 DG 2.032 0.986 1 1 [+]
2 4 DA 0.946 0.455 1 0 "[ ]"
2 5 DA 0.881 0.342 1 0 "[ ]"
2 6 DT 0.461 0.190 1 0 "[ ]"
2 7 DT 0.740 0.240 1 0 "[ ]"
2 8 DC 5.245 1.514 1 1 [+]
2 9 DG 1.480 1.017 1 1 [+]
2 10 DC 0.176 0.109 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H2' 1 1 DG H8 2.720 2.630 4.720 2.621 2.621 2.621 0.009 1 0 "[ ]" 1
2 1 1 DG H2' 1 1 DG H3' 2.300 2.210 4.300 2.388 2.388 2.388 . 0 0 "[ ]" 1
3 1 1 DG H2'' 1 1 DG H8 4.250 3.430 6.250 3.909 3.909 3.909 . 0 0 "[ ]" 1
4 1 1 DG H2'' 1 1 DG H3' 3.530 3.010 5.530 2.841 2.841 2.841 0.169 1 0 "[ ]" 1
5 1 1 DG H2' 1 2 DC H6 4.500 3.700 6.500 4.027 4.027 4.027 . 0 0 "[ ]" 1
6 1 1 DG H2'' 1 2 DC H6 2.700 2.630 4.700 2.519 2.519 2.519 0.111 1 0 "[ ]" 1
7 1 2 DC H1' 1 2 DC H6 3.760 3.500 5.760 3.716 3.716 3.716 . 0 0 "[ ]" 1
8 1 1 DG H2' 1 2 DC H5 3.580 3.400 5.580 3.651 3.651 3.651 . 0 0 "[ ]" 1
9 1 1 DG H2'' 1 2 DC H5 3.240 3.130 5.240 3.218 3.218 3.218 . 0 0 "[ ]" 1
10 1 2 DC H1' 1 2 DC H3' 3.990 3.800 5.990 3.938 3.938 3.938 . 0 0 "[ ]" 1
11 1 2 DC H1' 1 2 DC Q2' 4.140 3.480 4.380 2.259 2.259 2.259 1.221 1 1 [+] 1
12 1 2 DC Q2' 1 2 DC H6 . 3.310 4.220 2.239 2.239 2.239 1.071 1 1 [+] 1
13 1 2 DC Q2' 1 2 DC H3' . 2.930 4.440 2.164 2.164 2.164 0.766 1 1 [+] 1
14 1 2 DC H1' 1 3 DG H8 4.130 3.990 6.130 4.325 4.325 4.325 . 0 0 "[ ]" 1
15 1 2 DC H6 1 3 DG H8 4.620 4.400 6.620 4.609 4.609 4.609 . 0 0 "[ ]" 1
16 1 2 DC H3' 1 3 DG H8 4.520 4.350 6.520 4.810 4.810 4.810 . 0 0 "[ ]" 1
17 1 3 DG H1' 1 3 DG H8 4.440 4.030 6.440 3.910 3.910 3.910 0.120 1 0 "[ ]" 1
18 1 3 DG H1' 1 3 DG H3' 4.520 3.880 6.520 3.716 3.716 3.716 0.164 1 0 "[ ]" 1
19 1 3 DG H1' 1 3 DG H2' 2.950 2.650 4.950 3.031 3.031 3.031 . 0 0 "[ ]" 1
20 1 3 DG H2' 1 3 DG H8 2.390 2.310 4.390 2.310 2.310 2.310 . 1 0 "[ ]" 1
21 1 3 DG H2' 1 3 DG H3' 2.360 2.210 4.360 2.339 2.339 2.339 . 0 0 "[ ]" 1
22 1 3 DG H1' 1 3 DG H2'' 2.340 2.260 4.340 2.467 2.467 2.467 . 0 0 "[ ]" 1
23 1 3 DG H2'' 1 3 DG H3' 2.860 2.560 4.860 2.530 2.530 2.530 0.030 1 0 "[ ]" 1
24 1 3 DG H1' 1 4 DA H8 3.250 3.200 5.250 3.152 3.152 3.152 0.048 1 0 "[ ]" 1
25 1 3 DG H8 1 4 DA H8 4.420 4.100 6.420 4.543 4.543 4.543 . 0 0 "[ ]" 1
26 1 3 DG H3' 1 4 DA H8 4.370 4.030 6.370 4.813 4.813 4.813 . 0 0 "[ ]" 1
27 1 3 DG H2'' 1 4 DA H8 2.970 2.870 4.970 2.430 2.430 2.430 0.440 1 0 "[ ]" 1
28 1 4 DA H1' 1 4 DA H8 4.150 3.740 6.150 3.936 3.936 3.936 . 0 0 "[ ]" 1
29 1 4 DA H1' 1 4 DA H3' 4.810 4.190 6.810 3.942 3.942 3.942 0.248 1 0 "[ ]" 1
30 1 4 DA H1' 1 4 DA H2' 3.460 2.870 5.460 3.078 3.078 3.078 . 0 0 "[ ]" 1
31 1 4 DA H2' 1 4 DA H3' 2.360 2.280 4.360 2.379 2.379 2.379 . 0 0 "[ ]" 1
32 1 4 DA H1' 1 4 DA H2'' 2.340 2.300 4.340 2.411 2.411 2.411 . 0 0 "[ ]" 1
33 1 4 DA H2'' 1 4 DA H3' 2.900 2.640 4.900 2.823 2.823 2.823 . 0 0 "[ ]" 1
34 1 4 DA H1' 1 5 DA H8 4.200 3.670 6.200 3.839 3.839 3.839 . 0 0 "[ ]" 1
35 1 5 DA H1' 1 5 DA H8 4.340 3.920 6.340 3.941 3.941 3.941 . 0 0 "[ ]" 1
36 1 5 DA H1' 1 5 DA H3' 4.610 4.050 6.610 3.933 3.933 3.933 0.117 1 0 "[ ]" 1
37 1 5 DA H1' 1 5 DA Q2' 3.040 2.720 4.390 2.275 2.275 2.275 0.445 1 0 "[ ]" 1
38 1 5 DA Q2' 1 5 DA H8 2.360 2.280 4.360 2.367 2.367 2.367 . 0 0 "[ ]" 1
39 1 5 DA Q2' 1 5 DA H3' . 2.690 4.300 2.179 2.179 2.179 0.511 1 1 [+] 1
40 1 5 DA H1' 1 6 DT H6 3.550 3.400 5.550 3.644 3.644 3.644 . 0 0 "[ ]" 1
41 1 5 DA H8 1 6 DT H6 4.900 4.340 6.900 4.963 4.963 4.963 . 0 0 "[ ]" 1
42 1 5 DA H3' 1 6 DT H6 5.010 4.400 7.010 4.865 4.865 4.865 . 0 0 "[ ]" 1
43 1 5 DA Q2' 1 6 DT H6 2.470 2.420 4.470 2.261 2.261 2.261 0.159 1 0 "[ ]" 1
44 1 6 DT H1' 1 6 DT H6 3.840 3.590 5.840 3.710 3.710 3.710 . 0 0 "[ ]" 1
45 1 5 DA H1' 1 6 DT M7 5.280 4.930 7.280 4.313 4.313 4.313 0.617 1 1 [+] 1
46 1 5 DA H8 1 6 DT M7 3.740 3.700 5.740 3.048 3.048 3.048 0.652 1 1 [+] 1
47 1 5 DA H3' 1 6 DT M7 4.910 4.680 6.910 4.268 4.268 4.268 0.412 1 0 "[ ]" 1
48 1 5 DA Q2' 1 6 DT M7 . 3.580 5.420 2.461 2.461 2.461 1.119 1 1 [+] 1
49 1 6 DT H1' 1 6 DT H3' 4.240 3.830 6.240 3.935 3.935 3.935 . 0 0 "[ ]" 1
50 1 6 DT H3' 1 6 DT H6 4.250 3.720 6.250 3.788 3.788 3.788 . 0 0 "[ ]" 1
51 1 6 DT H1' 1 6 DT Q2' 3.970 3.250 4.290 2.280 2.280 2.280 0.970 1 1 [+] 1
52 1 6 DT Q2' 1 6 DT H6 2.300 2.250 4.300 2.335 2.335 2.335 . 0 0 "[ ]" 1
53 1 6 DT Q2' 1 6 DT M7 5.950 5.020 7.950 4.010 4.010 4.010 1.010 1 1 [+] 1
54 1 6 DT Q2' 1 6 DT H3' . 2.820 4.410 2.152 2.152 2.152 0.668 1 1 [+] 1
55 1 6 DT H6 1 7 DT H6 5.120 4.110 7.120 5.196 5.196 5.196 . 0 0 "[ ]" 1
56 1 6 DT Q2' 1 7 DT H6 3.490 3.010 5.490 2.414 2.414 2.414 0.596 1 1 [+] 1
57 1 7 DT H1' 1 7 DT H6 4.100 3.570 6.100 3.761 3.761 3.761 . 0 0 "[ ]" 1
58 1 6 DT H1' 1 7 DT M7 5.800 5.230 7.800 4.686 4.686 4.686 0.544 1 1 [+] 1
59 1 6 DT H6 1 7 DT M7 3.790 3.710 5.790 3.172 3.172 3.172 0.538 1 1 [+] 1
60 1 6 DT M7 1 7 DT M7 4.690 4.650 6.690 3.194 3.194 3.194 1.456 1 1 [+] 1
61 1 6 DT H3' 1 7 DT M7 4.410 4.210 6.410 3.766 3.766 3.766 0.444 1 0 "[ ]" 1
62 1 6 DT Q2' 1 7 DT M7 . 3.470 5.240 2.372 2.372 2.372 1.098 1 1 [+] 1
63 1 7 DT H1' 1 7 DT H3' 4.430 4.070 6.430 3.929 3.929 3.929 0.141 1 0 "[ ]" 1
64 1 7 DT H3' 1 7 DT H6 4.160 3.570 6.160 3.791 3.791 3.791 . 0 0 "[ ]" 1
65 1 7 DT H1' 1 7 DT Q2' 3.730 3.090 4.340 2.271 2.271 2.271 0.819 1 1 [+] 1
66 1 7 DT Q2' 1 7 DT H6 2.160 2.110 4.160 2.231 2.231 2.231 . 0 0 "[ ]" 1
67 1 7 DT Q2' 1 7 DT H3' . 2.580 4.370 2.123 2.123 2.123 0.457 1 0 "[ ]" 1
68 1 7 DT H1' 1 8 DC H6 3.860 3.650 5.860 3.940 3.940 3.940 . 0 0 "[ ]" 1
69 1 7 DT H3' 1 8 DC H6 4.680 4.210 6.680 4.830 4.830 4.830 . 0 0 "[ ]" 1
70 1 7 DT Q2' 1 8 DC H6 2.570 2.540 4.570 2.272 2.272 2.272 0.268 1 0 "[ ]" 1
71 1 8 DC H1' 1 8 DC H6 3.790 3.520 5.790 3.756 3.756 3.756 . 0 0 "[ ]" 1
72 1 7 DT H1' 1 8 DC H5 5.030 4.720 7.030 4.717 4.717 4.717 0.003 1 0 "[ ]" 1
73 1 7 DT H6 1 8 DC H5 3.640 3.540 5.640 3.689 3.689 3.689 . 0 0 "[ ]" 1
74 1 7 DT M7 1 8 DC H5 4.570 4.450 6.570 3.808 3.808 3.808 0.642 1 1 [+] 1
75 1 7 DT Q2' 1 8 DC H5 3.520 3.350 5.370 2.986 2.986 2.986 0.364 1 0 "[ ]" 1
76 1 8 DC H1' 1 8 DC H3' 4.060 3.890 6.060 4.029 4.029 4.029 . 0 0 "[ ]" 1
77 1 8 DC H3' 1 8 DC H6 3.900 3.550 5.900 3.706 3.706 3.706 . 0 0 "[ ]" 1
78 1 8 DC H1' 1 8 DC Q2' 4.270 3.600 4.380 2.198 2.198 2.198 1.402 1 1 [+] 1
79 1 8 DC Q2' 1 8 DC H6 . 3.430 4.210 2.242 2.242 2.242 1.188 1 1 [+] 1
80 1 8 DC Q2' 1 8 DC H5 4.930 4.210 6.930 4.257 4.257 4.257 . 0 0 "[ ]" 1
81 1 8 DC Q2' 1 8 DC H3' . 3.090 4.420 2.188 2.188 2.188 0.902 1 1 [+] 1
82 1 8 DC H1' 1 9 DG H8 4.030 3.920 6.030 4.283 4.283 4.283 . 0 0 "[ ]" 1
83 1 8 DC H3' 1 9 DG H8 4.320 4.110 6.320 4.546 4.546 4.546 . 0 0 "[ ]" 1
84 1 9 DG H1' 1 9 DG H8 4.290 3.980 6.290 3.942 3.942 3.942 0.038 1 0 "[ ]" 1
85 1 9 DG H1' 1 9 DG H3' 4.590 4.180 6.590 3.963 3.963 3.963 0.217 1 0 "[ ]" 1
86 1 9 DG H3' 1 9 DG H8 4.800 4.040 6.800 4.430 4.430 4.430 . 0 0 "[ ]" 1
87 1 9 DG H1' 1 9 DG H2' 3.270 2.820 5.270 3.084 3.084 3.084 . 0 0 "[ ]" 1
88 1 9 DG H2' 1 9 DG H8 2.360 2.290 4.360 2.306 2.306 2.306 . 0 0 "[ ]" 1
89 1 9 DG H2' 1 9 DG H3' 2.430 2.320 4.430 2.379 2.379 2.379 . 0 0 "[ ]" 1
90 1 9 DG H1' 1 9 DG H2'' 2.460 2.370 4.460 2.469 2.469 2.469 . 0 0 "[ ]" 1
91 1 9 DG H2'' 1 9 DG H3' 2.810 2.560 4.810 2.743 2.743 2.743 . 0 0 "[ ]" 1
92 1 9 DG H1' 1 10 DC H6 3.360 3.310 5.360 3.369 3.369 3.369 . 0 0 "[ ]" 1
93 1 9 DG H3' 1 10 DC H6 5.190 4.710 7.190 5.250 5.250 5.250 . 0 0 "[ ]" 1
94 1 9 DG H2' 1 10 DC H6 3.910 3.440 5.910 3.930 3.930 3.930 . 0 0 "[ ]" 1
95 1 9 DG H2'' 1 10 DC H6 2.740 2.690 4.740 2.532 2.532 2.532 0.158 1 0 "[ ]" 1
96 1 10 DC H1' 1 10 DC H6 3.510 3.460 5.510 3.616 3.616 3.616 . 0 0 "[ ]" 1
97 1 9 DG H1' 1 10 DC H5 4.510 4.220 6.510 4.380 4.380 4.380 . 0 0 "[ ]" 1
98 1 9 DG H8 1 10 DC H5 3.870 3.720 5.870 3.718 3.718 3.718 0.002 1 0 "[ ]" 1
99 1 10 DC H1' 1 10 DC H3' 3.830 3.600 5.830 3.897 3.897 3.897 . 0 0 "[ ]" 1
100 1 10 DC H3' 1 10 DC H6 3.110 3.050 5.110 3.013 3.013 3.013 0.037 1 0 "[ ]" 1
101 2 1 DG H2' 2 1 DG H8 2.710 2.630 4.710 2.627 2.627 2.627 0.003 1 0 "[ ]" 1
102 2 1 DG H2' 2 1 DG H3' 2.310 2.220 4.310 2.392 2.392 2.392 . 0 0 "[ ]" 1
103 2 1 DG H2'' 2 1 DG H8 4.230 3.540 6.230 3.901 3.901 3.901 . 0 0 "[ ]" 1
104 2 1 DG H2'' 2 1 DG H3' 3.640 2.990 5.640 2.833 2.833 2.833 0.157 1 0 "[ ]" 1
105 2 1 DG H2' 2 2 DC H6 4.440 3.700 6.440 4.078 4.078 4.078 . 0 0 "[ ]" 1
106 2 1 DG H2'' 2 2 DC H6 2.700 2.640 4.700 2.540 2.540 2.540 0.100 1 0 "[ ]" 1
107 2 2 DC H1' 2 2 DC H6 3.700 3.490 5.700 3.715 3.715 3.715 . 0 0 "[ ]" 1
108 2 1 DG H2' 2 2 DC H5 3.570 3.410 5.570 3.636 3.636 3.636 . 0 0 "[ ]" 1
109 2 1 DG H2'' 2 2 DC H5 3.240 3.150 5.240 3.145 3.145 3.145 0.005 1 0 "[ ]" 1
110 2 2 DC H1' 2 2 DC H3' 3.980 3.780 5.980 3.934 3.934 3.934 . 0 0 "[ ]" 1
111 2 2 DC H1' 2 2 DC Q2' 4.010 3.480 4.390 2.258 2.258 2.258 1.222 1 1 [+] 1
112 2 2 DC Q2' 2 2 DC H6 . 3.350 4.220 2.218 2.218 2.218 1.132 1 1 [+] 1
113 2 2 DC Q2' 2 2 DC H3' . 2.940 4.430 2.167 2.167 2.167 0.773 1 1 [+] 1
114 2 2 DC H1' 2 3 DG H8 4.100 3.980 6.100 4.313 4.313 4.313 . 0 0 "[ ]" 1
115 2 2 DC H6 2 3 DG H8 4.720 4.310 6.720 4.633 4.633 4.633 . 0 0 "[ ]" 1
116 2 2 DC H3' 2 3 DG H8 4.570 4.370 6.570 4.860 4.860 4.860 . 0 0 "[ ]" 1
117 2 3 DG H1' 2 3 DG H8 4.460 4.010 6.460 3.887 3.887 3.887 0.123 1 0 "[ ]" 1
118 2 3 DG H1' 2 3 DG H3' 4.590 3.870 6.590 3.711 3.711 3.711 0.159 1 0 "[ ]" 1
119 2 3 DG H1' 2 3 DG H2' 3.000 2.700 5.000 3.054 3.054 3.054 . 0 0 "[ ]" 1
120 2 3 DG H2' 2 3 DG H8 2.390 2.310 4.390 2.306 2.306 2.306 0.004 1 0 "[ ]" 1
121 2 3 DG H2' 2 3 DG H3' 2.360 2.220 4.360 2.376 2.376 2.376 . 0 0 "[ ]" 1
122 2 3 DG H1' 2 3 DG H2'' 2.340 2.260 4.340 2.476 2.476 2.476 . 0 0 "[ ]" 1
123 2 3 DG H2'' 2 3 DG H3' 2.840 2.570 4.840 2.541 2.541 2.541 0.029 1 0 "[ ]" 1
124 2 3 DG H1' 2 4 DA H8 3.260 3.210 5.260 3.139 3.139 3.139 0.071 1 0 "[ ]" 1
125 2 3 DG H8 2 4 DA H8 4.350 4.150 6.350 4.534 4.534 4.534 . 0 0 "[ ]" 1
126 2 3 DG H3' 2 4 DA H8 4.320 4.030 6.320 4.757 4.757 4.757 . 0 0 "[ ]" 1
127 2 3 DG H2'' 2 4 DA H8 2.980 2.880 4.980 2.425 2.425 2.425 0.455 1 0 "[ ]" 1
128 2 4 DA H1' 2 4 DA H8 4.170 3.660 6.170 3.977 3.977 3.977 . 0 0 "[ ]" 1
129 2 4 DA H1' 2 4 DA H3' 4.470 4.050 6.470 3.908 3.908 3.908 0.142 1 0 "[ ]" 1
130 2 4 DA H1' 2 4 DA H2' 3.370 2.920 5.370 3.062 3.062 3.062 . 0 0 "[ ]" 1
131 2 4 DA H2' 2 4 DA H3' 2.350 2.280 4.350 2.398 2.398 2.398 . 0 0 "[ ]" 1
132 2 4 DA H1' 2 4 DA H2'' 2.340 2.300 4.340 2.379 2.379 2.379 . 0 0 "[ ]" 1
133 2 4 DA H2'' 2 4 DA H3' 2.860 2.630 4.860 2.820 2.820 2.820 . 0 0 "[ ]" 1
134 2 4 DA H1' 2 5 DA H8 4.120 3.690 6.120 3.797 3.797 3.797 . 0 0 "[ ]" 1
135 2 5 DA H1' 2 5 DA H8 4.340 3.940 6.340 3.980 3.980 3.980 . 0 0 "[ ]" 1
136 2 5 DA H1' 2 5 DA H3' 5.030 4.390 7.030 4.048 4.048 4.048 0.342 1 0 "[ ]" 1
137 2 5 DA H1' 2 5 DA H2' 2.980 2.720 4.980 3.042 3.042 3.042 . 0 0 "[ ]" 1
138 2 5 DA H2' 2 5 DA H8 2.360 2.280 4.360 2.426 2.426 2.426 . 0 0 "[ ]" 1
139 2 5 DA H2' 2 5 DA H3' 2.310 2.240 4.310 2.281 2.281 2.281 . 0 0 "[ ]" 1
140 2 5 DA H1' 2 5 DA H2'' 2.400 2.350 4.400 2.390 2.390 2.390 . 0 0 "[ ]" 1
141 2 5 DA H2'' 2 5 DA H3' 2.950 2.650 4.950 2.716 2.716 2.716 . 0 0 "[ ]" 1
142 2 5 DA H1' 2 6 DT H6 3.530 3.400 5.530 3.642 3.642 3.642 . 0 0 "[ ]" 1
143 2 5 DA H8 2 6 DT H6 5.000 4.390 7.000 5.039 5.039 5.039 . 0 0 "[ ]" 1
144 2 5 DA H3' 2 6 DT H6 4.740 4.130 6.740 4.833 4.833 4.833 . 0 0 "[ ]" 1
145 2 5 DA H2'' 2 6 DT H6 2.470 2.420 4.470 2.267 2.267 2.267 0.153 1 0 "[ ]" 1
146 2 6 DT H1' 2 6 DT H6 3.840 3.580 5.840 3.710 3.710 3.710 . 0 0 "[ ]" 1
147 2 6 DT H1' 2 6 DT H3' 4.270 3.860 6.270 3.933 3.933 3.933 . 0 0 "[ ]" 1
148 2 6 DT H3' 2 6 DT H6 4.220 3.710 6.220 3.830 3.830 3.830 . 0 0 "[ ]" 1
149 2 6 DT H1' 2 6 DT H2' 4.020 3.240 6.020 3.050 3.050 3.050 0.190 1 0 "[ ]" 1
150 2 6 DT H2' 2 6 DT H6 2.300 2.260 4.300 2.337 2.337 2.337 . 0 0 "[ ]" 1
151 2 6 DT H2' 2 6 DT H3' 2.400 2.340 4.400 2.238 2.238 2.238 0.102 1 0 "[ ]" 1
152 2 6 DT H1' 2 6 DT H2'' 2.300 2.230 4.300 2.367 2.367 2.367 . 0 0 "[ ]" 1
153 2 6 DT H2'' 2 6 DT H3' 3.160 2.820 5.160 2.835 2.835 2.835 . 0 0 "[ ]" 1
154 2 6 DT H6 2 7 DT H6 4.970 4.200 6.970 5.092 5.092 5.092 . 0 0 "[ ]" 1
155 2 6 DT H2' 2 7 DT H6 3.820 2.970 5.820 3.143 3.143 3.143 . 0 0 "[ ]" 1
156 2 7 DT H1' 2 7 DT H6 4.040 3.580 6.040 3.756 3.756 3.756 . 0 0 "[ ]" 1
157 2 7 DT H1' 2 7 DT H3' 4.430 4.060 6.430 3.920 3.920 3.920 0.140 1 0 "[ ]" 1
158 2 7 DT H3' 2 7 DT H6 4.320 3.590 6.320 3.827 3.827 3.827 . 0 0 "[ ]" 1
159 2 7 DT H1' 2 7 DT H2' 3.560 3.050 5.560 3.043 3.043 3.043 0.007 1 0 "[ ]" 1
160 2 7 DT H2' 2 7 DT H6 2.150 2.110 4.150 2.301 2.301 2.301 . 0 0 "[ ]" 1
161 2 7 DT H2' 2 7 DT H3' 2.370 2.330 4.370 2.214 2.214 2.214 0.116 1 0 "[ ]" 1
162 2 7 DT H1' 2 7 DT H2'' 2.340 2.260 4.340 2.331 2.331 2.331 . 0 0 "[ ]" 1
163 2 7 DT H2'' 2 7 DT H3' 2.750 2.590 4.750 2.796 2.796 2.796 . 0 0 "[ ]" 1
164 2 7 DT H1' 2 8 DC H6 3.830 3.650 5.830 3.920 3.920 3.920 . 0 0 "[ ]" 1
165 2 7 DT H3' 2 8 DC H6 4.670 4.170 6.670 4.812 4.812 4.812 . 0 0 "[ ]" 1
166 2 7 DT H2'' 2 8 DC H6 2.580 2.540 4.580 2.300 2.300 2.300 0.240 1 0 "[ ]" 1
167 2 8 DC H1' 2 8 DC H6 3.870 3.620 5.870 3.755 3.755 3.755 . 0 0 "[ ]" 1
168 2 7 DT H1' 2 8 DC H5 5.070 4.700 7.070 4.675 4.675 4.675 0.025 1 0 "[ ]" 1
169 2 7 DT H6 2 8 DC H5 3.640 3.540 5.640 3.683 3.683 3.683 . 0 0 "[ ]" 1
170 2 7 DT H2' 2 8 DC H5 3.500 3.330 5.500 3.244 3.244 3.244 0.086 1 0 "[ ]" 1
171 2 7 DT H2'' 2 8 DC H5 3.380 3.300 5.380 3.548 3.548 3.548 . 0 0 "[ ]" 1
172 2 8 DC H1' 2 8 DC H3' 4.050 3.910 6.050 4.017 4.017 4.017 . 0 0 "[ ]" 1
173 2 8 DC H3' 2 8 DC H6 3.790 3.510 5.790 3.752 3.752 3.752 . 0 0 "[ ]" 1
174 2 8 DC H1' 2 8 DC Q2' 4.120 3.520 4.400 2.195 2.195 2.195 1.325 1 1 [+] 1
175 2 8 DC Q2' 2 8 DC H6 . 3.780 4.240 2.266 2.266 2.266 1.514 1 1 [+] 1
176 2 8 DC Q2' 2 8 DC H5 5.010 4.300 7.010 4.269 4.269 4.269 0.031 1 0 "[ ]" 1
177 2 8 DC Q2' 2 8 DC H3' . 3.050 4.450 2.200 2.200 2.200 0.850 1 1 [+] 1
178 2 8 DC H1' 2 9 DG H8 4.030 3.910 6.030 4.293 4.293 4.293 . 0 0 "[ ]" 1
179 2 8 DC H3' 2 9 DG H8 4.260 4.100 6.260 4.497 4.497 4.497 . 0 0 "[ ]" 1
180 2 9 DG H1' 2 9 DG H8 4.270 3.900 6.270 3.937 3.937 3.937 . 0 0 "[ ]" 1
181 2 9 DG H1' 2 9 DG H3' 4.700 4.240 6.700 3.987 3.987 3.987 0.253 1 0 "[ ]" 1
182 2 9 DG H3' 2 9 DG H8 4.970 4.150 6.970 4.499 4.499 4.499 . 0 0 "[ ]" 1
183 2 9 DG H1' 2 9 DG H2' 3.440 2.850 5.440 3.080 3.080 3.080 . 0 0 "[ ]" 1
184 2 9 DG H2' 2 9 DG H8 2.360 2.270 4.360 2.364 2.364 2.364 . 0 0 "[ ]" 1
185 2 9 DG H2' 2 9 DG H3' 2.410 2.300 4.410 2.408 2.408 2.408 . 0 0 "[ ]" 1
186 2 9 DG H1' 2 9 DG H2'' 2.440 2.340 4.440 2.452 2.452 2.452 . 0 0 "[ ]" 1
187 2 9 DG H2'' 2 9 DG H3' 2.820 2.570 4.820 2.781 2.781 2.781 . 0 0 "[ ]" 1
188 2 9 DG H1' 2 10 DC H6 3.380 3.220 5.380 3.408 3.408 3.408 . 0 0 "[ ]" 1
189 2 9 DG H3' 2 10 DC H6 5.300 4.440 7.300 5.244 5.244 5.244 . 0 0 "[ ]" 1
190 2 9 DG H2' 2 10 DC H6 4.040 3.480 6.040 3.840 3.840 3.840 . 0 0 "[ ]" 1
191 2 9 DG H2'' 2 10 DC H6 2.660 2.590 4.660 2.481 2.481 2.481 0.109 1 0 "[ ]" 1
192 2 10 DC H1' 2 10 DC H6 3.870 3.780 5.870 3.742 3.742 3.742 0.038 1 0 "[ ]" 1
193 2 9 DG H1' 2 10 DC H5 4.500 4.230 6.500 4.415 4.415 4.415 . 0 0 "[ ]" 1
194 2 9 DG H8 2 10 DC H5 3.980 3.720 5.980 3.718 3.718 3.718 0.002 1 0 "[ ]" 1
195 2 10 DC H1' 2 10 DC H3' 3.870 3.620 5.870 3.793 3.793 3.793 . 0 0 "[ ]" 1
196 2 10 DC H3' 2 10 DC H6 4.250 3.810 6.250 4.163 4.163 4.163 . 0 0 "[ ]" 1
197 1 1 DG H1' 1 1 DG H8 4.380 4.010 6.380 3.975 3.975 3.975 0.035 1 0 "[ ]" 1
198 1 1 DG H1' 1 1 DG H3' 4.350 3.860 6.350 3.824 3.824 3.824 0.036 1 0 "[ ]" 1
199 1 1 DG H1' 1 1 DG H2' 3.470 2.900 5.470 3.045 3.045 3.045 . 0 0 "[ ]" 1
200 1 1 DG H1' 1 1 DG H2'' 2.360 2.240 4.360 2.363 2.363 2.363 . 0 0 "[ ]" 1
201 1 1 DG H1' 1 2 DC H6 3.570 3.380 5.570 3.595 3.595 3.595 . 0 0 "[ ]" 1
202 1 1 DG H1' 1 2 DC H5 4.300 4.040 6.300 4.300 4.300 4.300 . 0 0 "[ ]" 1
203 1 1 DG H3' 1 1 DG H4' 2.710 2.600 4.710 2.775 2.775 2.775 . 0 0 "[ ]" 1
204 1 2 DC H1' 1 2 DC H4' 2.940 2.890 4.940 3.008 3.008 3.008 . 0 0 "[ ]" 1
205 1 2 DC Q2' 1 2 DC H4' 3.760 3.570 5.760 3.389 3.389 3.389 0.181 1 0 "[ ]" 1
206 1 3 DG H1' 1 3 DG H4' 3.100 3.050 5.100 3.086 3.086 3.086 . 0 0 "[ ]" 1
207 1 3 DG H4' 1 3 DG H8 5.590 4.800 7.590 5.430 5.430 5.430 . 0 0 "[ ]" 1
208 1 3 DG H3' 1 3 DG H4' 2.680 2.600 4.680 2.813 2.813 2.813 . 0 0 "[ ]" 1
209 1 3 DG H2' 1 3 DG H4' 4.280 3.620 6.280 3.722 3.722 3.722 . 0 0 "[ ]" 1
210 1 3 DG H2'' 1 3 DG H4' 4.200 3.730 6.200 3.963 3.963 3.963 . 0 0 "[ ]" 1
211 1 4 DA H1' 1 4 DA H4' 2.970 2.930 4.970 3.067 3.067 3.067 . 0 0 "[ ]" 1
212 1 4 DA H4' 1 4 DA H8 5.280 4.830 7.280 4.900 4.900 4.900 . 0 0 "[ ]" 1
213 1 4 DA H3' 1 4 DA H4' 2.660 2.630 4.660 2.783 2.783 2.783 . 0 0 "[ ]" 1
214 1 4 DA H2' 1 4 DA H4' 3.730 3.560 5.730 3.764 3.764 3.764 . 0 0 "[ ]" 1
215 1 5 DA H1' 1 5 DA H4' 3.000 2.950 5.000 3.149 3.149 3.149 . 0 0 "[ ]" 1
216 1 5 DA H3' 1 5 DA H4' 2.770 2.730 4.770 2.864 2.864 2.864 . 0 0 "[ ]" 1
217 1 5 DA Q2' 1 5 DA H4' 4.280 3.880 6.280 3.402 3.402 3.402 0.478 1 0 "[ ]" 1
218 1 6 DT H1' 1 6 DT H4' 2.940 2.870 4.940 2.840 2.840 2.840 0.030 1 0 "[ ]" 1
219 1 6 DT H4' 1 6 DT H6 4.530 4.300 6.530 4.543 4.543 4.543 . 0 0 "[ ]" 1
220 1 6 DT H3' 1 6 DT H4' 2.940 2.830 4.940 2.950 2.950 2.950 . 0 0 "[ ]" 1
221 1 7 DT H1' 1 7 DT H4' 3.000 2.910 5.000 3.007 3.007 3.007 . 0 0 "[ ]" 1
222 1 7 DT H3' 1 7 DT H4' 2.780 2.700 4.780 2.884 2.884 2.884 . 0 0 "[ ]" 1
223 1 8 DC H1' 1 8 DC H4' 2.910 2.840 4.910 2.913 2.913 2.913 . 0 0 "[ ]" 1
224 1 8 DC Q2' 1 8 DC H4' 3.370 3.270 5.370 3.241 3.241 3.241 0.029 1 0 "[ ]" 1
225 1 9 DG H1' 1 9 DG H4' 3.160 3.110 5.160 3.214 3.214 3.214 . 0 0 "[ ]" 1
226 1 9 DG H4' 1 9 DG H8 5.670 4.940 7.670 5.077 5.077 5.077 . 0 0 "[ ]" 1
227 1 9 DG H3' 1 9 DG H4' 2.700 2.670 4.700 2.789 2.789 2.789 . 0 0 "[ ]" 1
228 1 9 DG H2' 1 9 DG H4' 4.230 3.760 6.230 3.807 3.807 3.807 . 0 0 "[ ]" 1
229 1 9 DG H2'' 1 9 DG H4' 4.230 3.780 6.230 3.943 3.943 3.943 . 0 0 "[ ]" 1
230 1 10 DC H1' 1 10 DC H4' 3.100 3.020 5.100 2.945 2.945 2.945 0.075 1 0 "[ ]" 1
231 2 1 DG H1' 2 1 DG H8 4.320 3.990 6.320 3.967 3.967 3.967 0.023 1 0 "[ ]" 1
232 2 1 DG H1' 2 1 DG H3' 4.310 3.800 6.310 3.798 3.798 3.798 0.002 1 0 "[ ]" 1
233 2 1 DG H1' 2 1 DG H2' 3.520 2.910 5.520 3.038 3.038 3.038 . 0 0 "[ ]" 1
234 2 1 DG H1' 2 1 DG H2'' 2.370 2.240 4.370 2.361 2.361 2.361 . 0 0 "[ ]" 1
235 2 1 DG H1' 2 2 DC H6 3.580 3.350 5.580 3.605 3.605 3.605 . 0 0 "[ ]" 1
236 2 1 DG H1' 2 2 DC H5 4.260 4.020 6.260 4.252 4.252 4.252 . 0 0 "[ ]" 1
237 2 1 DG H3' 2 1 DG H4' 2.710 2.600 4.710 2.773 2.773 2.773 . 0 0 "[ ]" 1
238 2 2 DC H1' 2 2 DC H4' 2.940 2.890 4.940 3.019 3.019 3.019 . 0 0 "[ ]" 1
239 2 2 DC Q2' 2 2 DC H4' 3.780 3.570 5.780 3.398 3.398 3.398 0.172 1 0 "[ ]" 1
240 2 3 DG H1' 2 3 DG H4' 3.110 3.060 5.110 3.096 3.096 3.096 . 0 0 "[ ]" 1
241 2 3 DG H4' 2 3 DG H8 5.660 4.880 7.660 5.488 5.488 5.488 . 0 0 "[ ]" 1
242 2 3 DG H3' 2 3 DG H4' 2.680 2.600 4.680 2.812 2.812 2.812 . 0 0 "[ ]" 1
243 2 3 DG H2' 2 3 DG H4' 4.340 3.830 6.340 3.765 3.765 3.765 0.065 1 0 "[ ]" 1
244 2 3 DG H2'' 2 3 DG H4' 4.280 3.760 6.280 3.988 3.988 3.988 . 0 0 "[ ]" 1
245 2 4 DA H1' 2 4 DA H4' 2.970 2.920 4.970 3.031 3.031 3.031 . 0 0 "[ ]" 1
246 2 4 DA H4' 2 4 DA H8 5.270 4.820 7.270 5.006 5.006 5.006 . 0 0 "[ ]" 1
247 2 4 DA H3' 2 4 DA H4' 2.660 2.630 4.660 2.782 2.782 2.782 . 0 0 "[ ]" 1
248 2 4 DA H2' 2 4 DA H4' 3.780 3.580 5.780 3.808 3.808 3.808 . 0 0 "[ ]" 1
249 2 5 DA H1' 2 5 DA H4' 3.000 2.950 5.000 3.138 3.138 3.138 . 0 0 "[ ]" 1
250 2 5 DA H3' 2 5 DA H4' 2.770 2.730 4.770 2.909 2.909 2.909 . 0 0 "[ ]" 1
251 2 5 DA H2' 2 5 DA H4' 4.260 3.830 6.260 3.754 3.754 3.754 0.076 1 0 "[ ]" 1
252 2 6 DT H1' 2 6 DT H4' 2.940 2.860 4.940 2.844 2.844 2.844 0.016 1 0 "[ ]" 1
253 2 6 DT H4' 2 6 DT H6 4.510 4.300 6.510 4.537 4.537 4.537 . 0 0 "[ ]" 1
254 2 6 DT H3' 2 6 DT H4' 2.910 2.820 4.910 2.940 2.940 2.940 . 0 0 "[ ]" 1
255 2 7 DT H1' 2 7 DT H4' 2.990 2.900 4.990 2.993 2.993 2.993 . 0 0 "[ ]" 1
256 2 7 DT H3' 2 7 DT H4' 2.780 2.680 4.780 2.884 2.884 2.884 . 0 0 "[ ]" 1
257 2 8 DC H1' 2 8 DC H4' 2.920 2.850 4.920 2.913 2.913 2.913 . 0 0 "[ ]" 1
258 2 8 DC Q2' 2 8 DC H4' 3.390 3.280 5.390 3.248 3.248 3.248 0.032 1 0 "[ ]" 1
259 2 9 DG H1' 2 9 DG H4' 3.160 3.100 5.160 3.226 3.226 3.226 . 0 0 "[ ]" 1
260 2 9 DG H4' 2 9 DG H8 5.730 4.970 7.730 5.076 5.076 5.076 . 0 0 "[ ]" 1
261 2 9 DG H3' 2 9 DG H4' 2.710 2.670 4.710 2.787 2.787 2.787 . 0 0 "[ ]" 1
262 2 9 DG H2' 2 9 DG H4' 4.270 3.690 6.270 3.809 3.809 3.809 . 0 0 "[ ]" 1
263 2 9 DG H2'' 2 9 DG H4' 4.270 3.810 6.270 3.945 3.945 3.945 . 0 0 "[ ]" 1
264 2 10 DC H1' 2 10 DC H4' 3.060 2.990 5.060 2.962 2.962 2.962 0.028 1 0 "[ ]" 1
265 1 2 DC Q2' 1 2 DC H5 5.330 4.600 7.330 4.379 4.379 4.379 0.221 1 0 "[ ]" 1
266 2 2 DC Q2' 2 2 DC H5 5.080 4.350 7.080 4.349 4.349 4.349 0.001 1 0 "[ ]" 1
267 1 3 DG H2'' 1 3 DG H8 4.080 3.390 6.080 3.330 3.330 3.330 0.060 1 0 "[ ]" 1
268 1 4 DA H2'' 1 4 DA H8 4.030 3.210 6.030 3.909 3.909 3.909 . 0 0 "[ ]" 1
269 1 9 DG H2'' 1 9 DG H8 4.700 3.720 6.700 3.692 3.692 3.692 0.028 1 0 "[ ]" 1
270 2 3 DG H2'' 2 3 DG H8 4.080 3.330 6.080 3.250 3.250 3.250 0.080 1 0 "[ ]" 1
271 2 4 DA H2'' 2 4 DA H8 3.950 3.170 5.950 4.092 4.092 4.092 . 0 0 "[ ]" 1
272 2 9 DG H2'' 2 9 DG H8 4.970 3.850 6.970 3.751 3.751 3.751 0.099 1 0 "[ ]" 1
273 1 3 DG H3' 1 3 DG H8 5.580 4.570 7.580 4.643 4.643 4.643 . 0 0 "[ ]" 1
274 1 4 DA H3' 1 4 DA H8 6.000 4.460 8.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
275 1 5 DA H3' 1 5 DA H8 5.620 4.530 7.620 4.240 4.240 4.240 0.290 1 0 "[ ]" 1
276 2 3 DG H3' 2 3 DG H8 5.630 4.740 7.630 4.679 4.679 4.679 0.061 1 0 "[ ]" 1
277 2 4 DA H3' 2 4 DA H8 6.040 4.980 8.040 4.701 4.701 4.701 0.279 1 0 "[ ]" 1
278 2 5 DA H3' 2 5 DA H8 5.590 4.590 7.590 4.280 4.280 4.280 0.310 1 0 "[ ]" 1
279 1 6 DT H1' 1 7 DT H6 5.300 4.360 7.300 4.587 4.587 4.587 . 0 0 "[ ]" 1
280 1 6 DT H3' 1 7 DT H6 5.200 4.330 7.200 4.548 4.548 4.548 . 0 0 "[ ]" 1
281 2 6 DT H1' 2 7 DT H6 4.980 4.110 6.980 4.448 4.448 4.448 . 0 0 "[ ]" 1
282 2 6 DT H3' 2 7 DT H6 5.340 4.220 7.340 4.442 4.442 4.442 . 0 0 "[ ]" 1
283 1 4 DA H2' 1 5 DA H8 4.970 4.200 6.970 4.130 4.130 4.130 0.070 1 0 "[ ]" 1
284 2 4 DA H2' 2 5 DA H8 3.370 3.100 5.370 3.527 3.527 3.527 . 0 0 "[ ]" 1
285 1 4 DA H3' 1 5 DA H8 5.500 4.480 7.500 4.786 4.786 4.786 . 0 0 "[ ]" 1
286 2 4 DA H3' 2 5 DA H8 5.630 4.640 7.630 4.644 4.644 4.644 . 0 0 "[ ]" 1
287 1 1 DG H3' 1 1 DG H8 5.660 4.730 7.660 4.672 4.672 4.672 0.058 1 0 "[ ]" 1
288 2 1 DG H3' 2 1 DG H8 5.680 4.780 7.680 4.702 4.702 4.702 0.078 1 0 "[ ]" 1
289 1 7 DT H3' 1 8 DC H5 6.200 5.400 8.200 5.326 5.326 5.326 0.074 1 0 "[ ]" 1
290 2 7 DT H3' 2 8 DC H5 6.320 5.500 8.320 5.375 5.375 5.375 0.125 1 0 "[ ]" 1
291 1 2 DC Q2' 1 3 DG H8 . 3.490 5.270 2.505 2.505 2.505 0.985 1 1 [+] 1
292 2 2 DC Q2' 2 3 DG H8 . 3.510 5.270 2.524 2.524 2.524 0.986 1 1 [+] 1
293 1 8 DC Q2' 1 9 DG H8 . 3.350 5.180 2.347 2.347 2.347 1.003 1 1 [+] 1
294 2 8 DC Q2' 2 9 DG H8 . 3.350 5.180 2.333 2.333 2.333 1.017 1 1 [+] 1
295 1 5 DA H4' 1 6 DT M7 7.080 5.720 9.000 5.823 5.823 5.823 . 0 0 "[ ]" 1
296 1 7 DT H3' 1 7 DT M7 6.290 5.790 8.290 5.412 5.412 5.412 0.378 1 0 "[ ]" 1
297 1 7 DT Q2' 1 7 DT M7 6.510 5.460 8.510 3.944 3.944 3.944 1.516 1 1 [+] 1
298 1 2 DC H3' 1 2 DC H6 6.000 . 8.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
299 1 1 DG H3' 1 2 DC H6 6.000 . 8.000 5.290 5.290 5.290 . 0 0 "[ ]" 1
300 1 4 DA H2'' 1 4 DA H4' 6.000 . 8.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
301 1 10 DC H1' 1 10 DC H2' 3.500 . 5.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
302 1 10 DC H1' 1 10 DC H2'' 3.500 . 5.500 2.237 2.237 2.237 . 0 0 "[ ]" 1
303 1 10 DC H2' 1 10 DC H3' 3.500 . 5.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
304 1 10 DC H2'' 1 10 DC H3' 3.500 . 5.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
305 1 10 DC H2' 1 10 DC H6 6.000 . 8.000 2.903 2.903 2.903 . 0 0 "[ ]" 1
306 1 10 DC H2'' 1 10 DC H6 6.000 . 8.000 4.146 4.146 4.146 . 0 0 "[ ]" 1
307 1 4 DA H2' 1 4 DA H8 6.000 . 8.000 2.508 2.508 2.508 . 0 0 "[ ]" 1
308 1 3 DG H2' 1 4 DA H8 6.000 . 8.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
309 1 4 DA H2'' 1 5 DA H8 6.000 . 8.000 2.413 2.413 2.413 . 0 0 "[ ]" 1
310 2 2 DC H3' 2 2 DC H6 6.000 . 8.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
311 2 1 DG H3' 2 2 DC H6 6.000 . 8.000 5.287 5.287 5.287 . 0 0 "[ ]" 1
312 2 6 DT H2'' 2 6 DT H6 6.000 . 8.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
313 2 5 DA H2' 2 6 DT H6 6.000 . 8.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
314 2 4 DA H2'' 2 4 DA H4' 6.000 . 8.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
315 2 5 DA H2'' 2 5 DA H4' 6.000 . 8.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
316 2 7 DT H2'' 2 7 DT H6 6.000 . 8.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
317 2 6 DT H2'' 2 7 DT H6 6.000 . 8.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
318 2 10 DC H1' 2 10 DC H2' 3.500 . 5.500 3.064 3.064 3.064 . 0 0 "[ ]" 1
319 2 10 DC H1' 2 10 DC H2'' 3.500 . 5.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
320 2 10 DC H2' 2 10 DC H3' 3.500 . 5.500 2.341 2.341 2.341 . 0 0 "[ ]" 1
321 2 10 DC H2'' 2 10 DC H3' 3.500 . 5.500 2.755 2.755 2.755 . 0 0 "[ ]" 1
322 2 10 DC H2' 2 10 DC H6 6.000 . 8.000 2.235 2.235 2.235 . 0 0 "[ ]" 1
323 2 10 DC H2'' 2 10 DC H6 6.000 . 8.000 3.653 3.653 3.653 . 0 0 "[ ]" 1
324 2 7 DT H2' 2 8 DC H6 6.000 . 8.000 3.236 3.236 3.236 . 0 0 "[ ]" 1
325 2 4 DA H2' 2 4 DA H8 6.000 . 8.000 2.772 2.772 2.772 . 0 0 "[ ]" 1
326 2 3 DG H2' 2 4 DA H8 6.000 . 8.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
327 2 4 DA H2'' 2 5 DA H8 6.000 . 8.000 2.090 2.090 2.090 . 0 0 "[ ]" 1
328 2 5 DA H2'' 2 5 DA H8 6.000 . 8.000 3.955 3.955 3.955 . 0 0 "[ ]" 1
329 1 2 DC H3' 1 2 DC H4' 3.500 . 5.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
330 1 8 DC H3' 1 8 DC H4' 3.500 . 5.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
331 2 2 DC H3' 2 2 DC H4' 3.500 . 5.500 2.906 2.906 2.906 . 0 0 "[ ]" 1
332 2 8 DC H3' 2 8 DC H4' 3.500 . 5.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
333 1 4 DA H2 1 5 DA H2 4.000 . 6.000 3.489 3.489 3.489 . 0 0 "[ ]" 1
334 2 4 DA H2 2 5 DA H2 4.000 . 6.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
335 1 1 DG H1 2 9 DG H1 4.000 . 6.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
336 1 3 DG H1 2 9 DG H1 4.000 . 6.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
337 1 3 DG H1 2 7 DT H3 4.000 . 6.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
338 2 6 DT H3 2 7 DT H3 4.000 . 6.000 3.377 3.377 3.377 . 0 0 "[ ]" 1
339 1 6 DT H3 2 6 DT H3 4.000 . 6.000 3.463 3.463 3.463 . 0 0 "[ ]" 1
340 1 6 DT H3 1 7 DT H3 4.000 . 6.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
341 1 7 DT H3 2 3 DG H1 4.000 . 6.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
342 1 9 DG H1 2 3 DG H1 4.000 . 6.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
343 1 9 DG H1 2 1 DG H1 4.000 . 6.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
344 1 4 DA H2 2 7 DT H3 4.000 . 6.000 2.703 2.703 2.703 . 0 0 "[ ]" 1
345 1 7 DT H3 2 4 DA H2 4.000 . 6.000 2.833 2.833 2.833 . 0 0 "[ ]" 1
346 1 5 DA H2 2 6 DT H3 4.000 . 6.000 2.827 2.827 2.827 . 0 0 "[ ]" 1
347 1 6 DT H3 2 5 DA H2 4.000 . 6.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
348 1 3 DG H1 1 4 DA H2 4.000 . 6.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
349 2 3 DG H1 2 4 DA H2 4.000 . 6.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
350 1 7 DT H3 2 5 DA H2 4.000 . 6.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
351 1 5 DA H2 2 7 DT H3 4.000 . 6.000 3.765 3.765 3.765 . 0 0 "[ ]" 1
352 1 6 DT H1' 2 7 DT H1' 8.000 5.000 8.500 5.316 5.316 5.316 . 0 0 "[ ]" 1
353 1 7 DT H1' 2 6 DT H1' 8.000 5.000 8.500 5.317 5.317 5.317 . 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 26
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 0.376
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0141
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.0188
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.052 0.035 1 0 "[ ]"
1 2 DC 0.038 0.026 1 0 "[ ]"
1 3 DG 0.059 0.026 1 0 "[ ]"
1 4 DA 0.000 0.000 . 0 "[ ]"
1 5 DA 0.051 0.051 1 0 "[ ]"
1 6 DT 0.035 0.035 1 0 "[ ]"
1 7 DT 0.000 0.000 . 0 "[ ]"
1 8 DC 0.053 0.031 1 0 "[ ]"
1 9 DG 0.038 0.023 1 0 "[ ]"
1 10 DC 0.052 0.032 1 0 "[ ]"
2 1 DG 0.052 0.032 1 0 "[ ]"
2 2 DC 0.038 0.023 1 0 "[ ]"
2 3 DG 0.053 0.031 1 0 "[ ]"
2 4 DA 0.000 0.000 . 0 "[ ]"
2 5 DA 0.035 0.035 1 0 "[ ]"
2 6 DT 0.051 0.051 1 0 "[ ]"
2 7 DT 0.000 0.000 . 0 "[ ]"
2 8 DC 0.059 0.026 1 0 "[ ]"
2 9 DG 0.038 0.026 1 0 "[ ]"
2 10 DC 0.052 0.035 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG O6 2 10 DC N4 3.010 2.810 3.510 2.775 2.775 2.775 0.035 1 0 "[ ]" 2
2 1 1 DG N1 2 10 DC N3 3.050 2.850 3.550 2.840 2.840 2.840 0.010 1 0 "[ ]" 2
3 1 1 DG N2 2 10 DC O2 2.960 2.760 3.460 2.753 2.753 2.753 0.007 1 0 "[ ]" 2
4 1 2 DC N4 2 9 DG O6 3.010 2.810 3.510 2.801 2.801 2.801 0.009 1 0 "[ ]" 2
5 1 2 DC N3 2 9 DG N1 3.050 2.850 3.550 2.848 2.848 2.848 0.002 1 0 "[ ]" 2
6 1 2 DC O2 2 9 DG N2 2.960 2.760 3.460 2.734 2.734 2.734 0.026 1 0 "[ ]" 2
7 1 3 DG O6 2 8 DC N4 3.010 2.810 3.510 2.784 2.784 2.784 0.026 1 0 "[ ]" 2
8 1 3 DG N1 2 8 DC N3 3.050 2.850 3.550 2.838 2.838 2.838 0.012 1 0 "[ ]" 2
9 1 3 DG N2 2 8 DC O2 2.960 2.760 3.460 2.740 2.740 2.740 0.020 1 0 "[ ]" 2
10 1 8 DC N4 2 3 DG O6 3.010 2.810 3.510 2.779 2.779 2.779 0.031 1 0 "[ ]" 2
11 1 8 DC N3 2 3 DG N1 3.050 2.850 3.550 2.838 2.838 2.838 0.012 1 0 "[ ]" 2
12 1 8 DC O2 2 3 DG N2 2.960 2.760 3.460 2.750 2.750 2.750 0.010 1 0 "[ ]" 2
13 1 9 DG O6 2 2 DC N4 3.010 2.810 3.510 2.796 2.796 2.796 0.014 1 0 "[ ]" 2
14 1 9 DG N1 2 2 DC N3 3.050 2.850 3.550 2.849 2.849 2.849 0.001 1 0 "[ ]" 2
15 1 9 DG N2 2 2 DC O2 2.960 2.760 3.460 2.737 2.737 2.737 0.023 1 0 "[ ]" 2
16 1 10 DC N4 2 1 DG O6 3.010 2.810 3.510 2.778 2.778 2.778 0.032 1 0 "[ ]" 2
17 1 10 DC N3 2 1 DG N1 3.050 2.850 3.550 2.839 2.839 2.839 0.011 1 0 "[ ]" 2
18 1 10 DC O2 2 1 DG N2 2.960 2.760 3.460 2.750 2.750 2.750 0.010 1 0 "[ ]" 2
19 1 5 DA N1 2 6 DT N3 2.920 2.720 3.420 2.833 2.833 2.833 . 0 0 "[ ]" 2
20 1 5 DA N6 2 6 DT O4 3.050 2.850 3.550 2.799 2.799 2.799 0.051 1 0 "[ ]" 2
21 1 6 DT N3 2 5 DA N1 2.920 2.720 3.420 2.803 2.803 2.803 . 0 0 "[ ]" 2
22 1 6 DT O4 2 5 DA N6 3.050 2.850 3.550 2.815 2.815 2.815 0.035 1 0 "[ ]" 2
23 1 4 DA N1 2 7 DT N3 2.920 2.720 3.420 2.815 2.815 2.815 . 0 0 "[ ]" 2
24 1 4 DA N6 2 7 DT O4 3.050 2.850 3.550 2.937 2.937 2.937 . 0 0 "[ ]" 2
25 1 7 DT N3 2 4 DA N1 2.920 2.720 3.420 2.829 2.829 2.829 . 0 0 "[ ]" 2
26 1 7 DT O4 2 4 DA N6 3.050 2.850 3.550 2.875 2.875 2.875 . 0 0 "[ ]" 2
stop_
save_
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