NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607384 |
2n9h   |
25906 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9h
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 250
_Distance_constraint_stats_list.Viol_count 2065
_Distance_constraint_stats_list.Viol_total 23571.943
_Distance_constraint_stats_list.Viol_max 3.074
_Distance_constraint_stats_list.Viol_rms 0.7845
_Distance_constraint_stats_list.Viol_average_all_restraints 0.9429
_Distance_constraint_stats_list.Viol_average_violations_only 1.1415
_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 119.404 2.555 9 10 [******-*+*]
1 2 DA 225.791 2.610 1 10 [+*****-***]
1 3 DT 250.526 2.827 4 10 [***+****-*]
1 4 DG 192.692 2.861 9 10 [*-******+*]
1 5 DA 182.745 2.591 1 10 [+*****-***]
1 6 DC 174.271 2.591 1 10 [+*******-*]
1 7 DT 136.997 2.453 5 10 [**-*+*****]
1 8 DG 197.799 2.629 2 10 [*+********]
1 9 DC 281.974 3.074 1 10 [+****-****]
1 10 DT 163.003 3.074 1 10 [+****-****]
1 11 DA 126.182 2.153 6 10 [*****+-***]
1 12 DG 88.828 2.153 6 10 [*****+-***]
2 1 DC 137.138 2.393 3 10 [**+*******]
2 2 DT 143.182 2.293 6 10 [**-**+****]
2 3 DA 151.837 2.779 7 10 [******+**-]
2 4 DG 164.349 2.779 7 10 [-*****+***]
2 5 DC 96.019 2.042 6 10 [****-+****]
2 7 DG 74.498 2.184 7 10 [******+*-*]
2 8 DT 134.914 2.357 10 10 [-********+]
2 9 DC 121.258 2.357 10 10 [****-****+]
2 10 DA 189.464 2.861 9 10 [****-***+*]
2 11 DT 188.394 2.326 3 10 [**+*-*****]
2 12 DC 76.425 1.777 2 10 [*+**-*****]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1' 1 1 DG Q2' . . 1.960 2.255 2.247 2.263 0.303 3 0 "[ . 1]" 1
2 1 1 DG H1' 1 1 DG H8 . . 2.330 3.701 3.695 3.710 1.380 6 10 [-****+****] 1
3 1 1 DG H1' 1 2 DA H8 . . 2.140 2.658 2.587 2.692 0.552 10 9 "[** ***-**+]" 1
4 1 1 DG Q2' 1 1 DG H8 . . 1.920 1.914 1.907 1.932 0.012 5 0 "[ . 1]" 1
5 1 1 DG Q2' 1 2 DA H8 . . 2.310 2.121 2.102 2.129 . 0 0 "[ . 1]" 1
6 1 1 DG H3' 1 1 DG H8 . . 2.360 3.996 3.978 4.008 1.648 5 10 [****+***-*] 1
7 1 1 DG H3' 1 2 DA H8 . . 2.610 4.727 4.704 4.744 2.134 9 10 [**-*****+*] 1
8 1 1 DG H4' 1 1 DG H8 . . 2.950 4.590 4.583 4.600 1.650 1 10 [+**-******] 1
9 1 1 DG Q5' 1 1 DG H8 . . 2.070 2.096 2.076 2.114 0.044 8 0 "[ . 1]" 1
10 1 1 DG Q5' 1 2 DA H8 . . 2.700 5.241 5.225 5.255 2.555 9 10 [**-*****+*] 1
11 1 1 DG H8 1 2 DA H8 . . 2.700 4.495 4.472 4.521 1.821 2 10 [*+*-******] 1
12 1 2 DA H1' 1 2 DA H2 . . 3.340 4.209 4.200 4.216 0.876 1 10 [+****-****] 1
13 1 2 DA H1' 1 2 DA Q2' . . 2.320 2.278 2.263 2.285 . 0 0 "[ . 1]" 1
14 1 2 DA H1' 1 2 DA H8 . . 2.590 3.721 3.709 3.728 1.138 1 10 [+*-*******] 1
15 1 2 DA H1' 1 3 DT H1' . . 2.320 4.892 4.838 4.930 2.610 1 10 [+*******-*] 1
16 1 2 DA H1' 1 3 DT H4' . . 4.330 4.423 4.403 4.444 0.114 7 0 "[ . 1]" 1
17 1 2 DA H1' 1 3 DT H6 . . 2.680 3.099 3.061 3.148 0.468 6 0 "[ . 1]" 1
18 1 2 DA H2 1 3 DT H3 . . 1.800 4.139 4.104 4.179 2.379 5 10 [****+*-***] 1
19 1 2 DA H2 2 11 DT H3 . . 1.800 2.793 2.760 2.816 1.016 9 10 [******-*+*] 1
20 1 2 DA Q2' 1 2 DA H8 . . 2.200 2.168 2.146 2.178 . 0 0 "[ . 1]" 1
21 1 2 DA Q2' 1 3 DT H1' . . 3.270 5.202 5.195 5.212 1.942 1 10 [+*******-*] 1
22 1 2 DA Q2' 1 3 DT H6 . . 2.180 2.112 2.090 2.129 . 0 0 "[ . 1]" 1
23 1 2 DA H3' 1 2 DA H8 . . 3.700 4.163 4.131 4.185 0.485 6 0 "[ . 1]" 1
24 1 2 DA H4' 1 2 DA H8 . . 3.520 4.723 4.705 4.738 1.218 6 10 [**-**+****] 1
25 1 2 DA Q5' 1 2 DA H8 . . 2.760 3.619 3.574 3.650 0.890 9 10 [**-*****+*] 1
26 1 2 DA Q6 2 11 DT H3 . . 1.800 2.337 2.317 2.359 0.559 7 10 [******+*-*] 1
27 1 2 DA H8 1 3 DT H6 . . 2.480 4.677 4.639 4.719 2.239 10 10 [****-****+] 1
28 1 3 DT H1' 1 3 DT Q2' . . 2.220 2.179 2.165 2.189 . 0 0 "[ . 1]" 1
29 1 3 DT H1' 1 3 DT H6 . . 2.180 3.671 3.660 3.681 1.501 10 10 [***-*****+] 1
30 1 3 DT H1' 1 4 DG H8 . . 2.830 3.544 3.531 3.558 0.728 7 10 [******+*-*] 1
31 1 3 DT Q2' 1 3 DT H6 . . 1.850 2.250 2.232 2.262 0.412 4 0 "[ . 1]" 1
32 1 3 DT Q2' 1 4 DG H8 . . 2.810 2.397 2.376 2.413 . 0 0 "[ . 1]" 1
33 1 3 DT H3 1 4 DG H1 . . 1.800 4.551 4.383 4.627 2.827 4 10 [-**+******] 1
34 1 3 DT H3 2 10 DA H2 . . 1.800 2.879 2.841 2.923 1.123 1 10 [+*****-***] 1
35 1 3 DT H3 2 10 DA Q6 . . 1.800 2.252 2.218 2.288 0.488 8 0 "[ . 1]" 1
36 1 3 DT H3 2 11 DT H3 . . 1.800 3.407 3.369 3.480 1.680 1 10 [+***-*****] 1
37 1 3 DT H3' 1 3 DT H6 . . 2.620 3.821 3.805 3.843 1.223 6 10 [**-**+****] 1
38 1 3 DT H3' 1 4 DG H8 . . 2.280 4.879 4.850 4.895 2.615 8 10 [**-****+**] 1
39 1 3 DT H4' 1 3 DT H6 . . 3.730 4.581 4.556 4.599 0.869 10 10 [***-*****+] 1
40 1 3 DT Q5' 1 3 DT H6 . . 2.400 3.756 3.711 3.804 1.404 10 10 [*-*******+] 1
41 1 3 DT H6 1 4 DG H8 . . 3.100 4.099 4.017 4.249 1.149 1 10 [+*-*******] 1
42 1 4 DG H1 1 5 DA H2 . . 1.800 3.840 3.765 3.962 2.162 9 10 [******-*+*] 1
43 1 4 DG H1 2 9 DC Q4 . . 1.800 2.484 2.456 2.508 0.708 4 10 [***+**-***] 1
44 1 4 DG H1 2 10 DA H2 . . 1.800 4.568 4.450 4.661 2.861 9 10 [-*******+*] 1
45 1 4 DG H1' 1 4 DG Q2' . . 2.340 2.322 2.304 2.334 . 0 0 "[ . 1]" 1
46 1 4 DG H1' 1 4 DG H8 . . 2.720 3.872 3.868 3.876 1.156 2 10 [*+**-*****] 1
47 1 4 DG H1' 1 5 DA H8 . . 2.610 3.189 3.175 3.218 0.608 1 10 [+*****-***] 1
48 1 4 DG Q2' 1 4 DG H8 . . 1.900 2.413 2.393 2.426 0.526 5 9 "[ -**+*****]" 1
49 1 4 DG Q2' 1 5 DA H8 . . 1.410 1.992 1.976 2.010 0.600 1 10 [+*-*******] 1
50 1 4 DG H4' 1 4 DG H8 . . 3.110 5.009 4.994 5.028 1.918 2 10 [*+*-******] 1
51 1 4 DG H8 1 5 DA H8 . . 2.800 4.790 4.725 4.840 2.040 4 10 [***+****-*] 1
52 1 5 DA H1' 1 5 DA H2 . . 3.500 4.211 4.198 4.236 0.736 1 10 [+**-******] 1
53 1 5 DA H1' 1 5 DA Q2' . . 2.420 2.313 2.302 2.374 . 0 0 "[ . 1]" 1
54 1 5 DA H1' 1 5 DA H8 . . 2.360 3.872 3.860 3.879 1.519 4 10 [-**+******] 1
55 1 5 DA H1' 1 6 DC H1' . . 2.610 5.098 5.014 5.201 2.591 1 10 [+********-] 1
56 1 5 DA H1' 1 6 DC H5 . . 3.110 4.897 4.671 4.952 1.842 8 10 [-******+**] 1
57 1 5 DA H1' 1 6 DC H6 . . 3.110 3.704 3.468 3.746 0.636 9 9 "[ *****-*+*]" 1
58 1 5 DA H2 2 8 DT H3 . . 1.800 2.679 2.614 2.794 0.994 1 10 [+***-*****] 1
59 1 5 DA Q2' 1 5 DA H8 . . 2.630 2.514 2.450 2.540 . 0 0 "[ . 1]" 1
60 1 5 DA Q2' 1 6 DC H5 . . 2.110 3.917 3.701 4.001 1.891 5 10 [-***+*****] 1
61 1 5 DA Q2' 1 6 DC H6 . . 2.800 2.749 2.649 2.792 . 0 0 "[ . 1]" 1
62 1 5 DA H4' 1 5 DA H8 . . 3.920 4.657 4.643 4.689 0.769 1 10 [+*-*******] 1
63 1 5 DA H5' 1 5 DA H8 . . 4.530 3.662 3.635 3.695 . 0 0 "[ . 1]" 1
64 1 5 DA H8 1 6 DC H5 . . 3.000 3.912 3.882 3.943 0.943 1 10 [+*****-***] 1
65 1 5 DA H8 1 6 DC H6 . . 2.950 4.605 4.563 4.717 1.767 1 10 [+*******-*] 1
66 1 6 DC H1' 1 6 DC Q2' . . 2.090 2.261 2.228 2.282 0.192 2 0 "[ . 1]" 1
67 1 6 DC H1' 1 6 DC H5 . . 3.520 5.307 5.283 5.314 1.794 5 10 [-***+*****] 1
68 1 6 DC H1' 1 6 DC H6 . . 3.450 3.570 3.558 3.618 0.168 1 0 "[ . 1]" 1
69 1 6 DC H1' 1 7 DT H6 . . 2.670 3.332 3.206 3.369 0.699 6 10 [-****+****] 1
70 1 6 DC Q2' 1 6 DC H5 . . 2.470 3.935 3.913 3.974 1.504 2 10 [*+*******-] 1
71 1 6 DC Q2' 1 6 DC H6 . . 2.400 2.091 2.062 2.106 . 0 0 "[ . 1]" 1
72 1 6 DC Q2' 1 7 DT H6 . . 2.480 2.351 2.327 2.408 . 0 0 "[ . 1]" 1
73 1 6 DC H3' 1 6 DC H6 . . 2.690 3.723 3.658 3.833 1.143 2 10 [*+*******-] 1
74 1 6 DC H4' 1 6 DC H6 . . 4.060 4.507 4.459 4.545 0.485 1 0 "[ . 1]" 1
75 1 6 DC Q4 2 7 DG H1 . . 1.800 2.352 2.209 2.480 0.680 2 8 "[*+* ****-1]" 1
76 1 6 DC H5'' 1 6 DC H6 . . 2.770 3.162 2.981 3.315 0.545 5 1 "[ + 1]" 1
77 1 6 DC H6 1 7 DT H6 . . 3.390 4.945 4.909 4.973 1.583 5 10 [****+***-*] 1
78 1 7 DT H1' 1 7 DT Q2' . . 2.240 2.256 2.212 2.296 0.056 1 0 "[ . 1]" 1
79 1 7 DT H1' 1 7 DT H6 . . 2.340 3.571 3.565 3.577 1.237 1 10 [+***-*****] 1
80 1 7 DT H1' 1 8 DG H8 . . 2.170 4.232 4.198 4.286 2.116 10 10 [-********+] 1
81 1 7 DT Q2' 1 7 DT H6 . . 2.460 2.159 2.149 2.170 . 0 0 "[ . 1]" 1
82 1 7 DT Q2' 1 8 DG H8 . . 2.810 2.448 2.400 2.482 . 0 0 "[ . 1]" 1
83 1 7 DT H3' 1 7 DT H6 . . 2.410 4.118 4.071 4.154 1.744 1 10 [+-********] 1
84 1 7 DT H3' 1 8 DG H8 . . 2.940 4.812 4.630 4.874 1.934 7 10 [******+**-] 1
85 1 7 DT H4' 1 7 DT H6 . . 3.030 4.584 4.516 4.623 1.593 1 10 [+-********] 1
86 1 7 DT Q5' 1 7 DT H6 . . 3.240 3.865 3.732 4.018 0.778 1 9 "[+ -*******]" 1
87 1 7 DT H6 1 8 DG H8 . . 2.720 5.130 5.097 5.173 2.453 5 10 [****+***-*] 1
88 1 8 DG H1 2 5 DC Q4 . . 1.800 2.412 2.376 2.476 0.676 2 10 [-+********] 1
89 1 8 DG H1' 1 8 DG H2'' . . 3.010 2.324 2.312 2.338 . 0 0 "[ . 1]" 1
90 1 8 DG H1' 1 8 DG H8 . . 2.350 3.812 3.809 3.816 1.466 10 10 [**-******+] 1
91 1 8 DG H1' 1 9 DC H1' . . 2.540 4.384 4.336 4.424 1.884 6 10 [*-***+****] 1
92 1 8 DG H1' 1 9 DC H5 . . 3.050 3.837 3.747 3.917 0.867 6 10 [*-***+****] 1
93 1 8 DG H1' 1 9 DC H6 . . 2.260 2.676 2.598 2.738 0.478 10 0 "[ . 1]" 1
94 1 8 DG H2'' 1 9 DC H5 . . 2.960 3.251 3.185 3.313 0.353 8 0 "[ . 1]" 1
95 1 8 DG H2'' 1 9 DC H6 . . 2.540 2.072 2.053 2.110 . 0 0 "[ . 1]" 1
96 1 8 DG H3' 1 8 DG H8 . . 3.030 3.928 3.916 3.944 0.914 6 10 [*****+**-*] 1
97 1 8 DG H3' 1 9 DC H6 . . 3.500 4.795 4.778 4.841 1.341 2 10 [*+-*******] 1
98 1 8 DG H4' 1 8 DG H8 . . 3.290 4.822 4.783 4.846 1.556 3 10 [-*+*******] 1
99 1 8 DG H4' 1 9 DC H5 . . 4.020 6.633 6.616 6.649 2.629 2 10 [*+*******-] 1
100 1 8 DG Q5' 1 8 DG H8 . . 2.680 3.441 3.198 3.647 0.967 10 10 [*-*******+] 1
101 1 8 DG H8 1 9 DC H5 . . 3.410 3.387 3.363 3.429 0.019 1 0 "[ . 1]" 1
102 1 8 DG H8 1 9 DC H6 . . 3.550 4.473 4.434 4.527 0.977 1 10 [+******-**] 1
103 1 9 DC H1' 1 9 DC Q2' . . 3.070 2.235 2.229 2.243 . 0 0 "[ . 1]" 1
104 1 9 DC H1' 1 9 DC H6 . . 2.050 3.637 3.630 3.642 1.592 2 10 [*+***-****] 1
105 1 9 DC H1' 1 10 DT H6 . . 2.690 3.175 3.139 3.206 0.516 8 4 "[ * .-*+ 1]" 1
106 1 9 DC Q2' 1 9 DC H5 . . 2.640 3.875 3.858 3.887 1.247 2 10 [*+****-***] 1
107 1 9 DC Q2' 1 9 DC H6 . . 1.980 2.038 2.028 2.051 0.071 2 0 "[ . 1]" 1
108 1 9 DC Q2' 1 10 DT H6 . . 1.500 2.026 2.021 2.032 0.532 1 10 [+****-****] 1
109 1 9 DC H3' 1 9 DC H5 . . 4.090 5.920 5.897 5.938 1.848 3 10 [**+*-*****] 1
110 1 9 DC H3' 1 9 DC H6 . . 2.590 3.697 3.680 3.713 1.123 6 10 [****-+****] 1
111 1 9 DC H3' 1 10 DT H6 . . 3.390 4.618 4.596 4.628 1.238 9 10 [*****-**+*] 1
112 1 9 DC H4' 1 9 DC H5 . . 4.190 6.694 6.680 6.705 2.515 8 10 [*****-*+**] 1
113 1 9 DC H4' 1 9 DC H6 . . 3.260 4.433 4.407 4.450 1.190 8 10 [*****-*+**] 1
114 1 9 DC H4' 1 10 DT H6 . . 3.740 5.359 5.336 5.380 1.640 1 10 [+*******-*] 1
115 1 9 DC Q4 1 10 DT H3 . . 1.800 3.821 3.726 3.896 2.096 6 10 [**-**+****] 1
116 1 9 DC Q4 2 4 DG H1 . . 1.800 2.087 2.060 2.113 0.313 9 0 "[ . 1]" 1
117 1 9 DC H5 1 10 DT H6 . . 3.050 6.103 6.065 6.124 3.074 1 10 [+*-*******] 1
118 1 9 DC Q5' 1 9 DC H6 . . 2.590 3.904 3.831 3.962 1.372 8 10 [*****-*+**] 1
119 1 10 DT H1' 1 10 DT Q2' . . 1.910 2.276 2.270 2.284 0.374 3 0 "[ . 1]" 1
120 1 10 DT H1' 1 10 DT H6 . . 2.700 3.577 3.573 3.585 0.885 6 10 [****-+****] 1
121 1 10 DT H1' 1 11 DA H8 . . 2.860 3.825 3.806 3.841 0.981 5 10 [**-*+*****] 1
122 1 10 DT Q2' 1 10 DT H6 . . 1.910 1.947 1.940 1.959 0.049 1 0 "[ . 1]" 1
123 1 10 DT Q2' 1 11 DA H8 . . 2.410 2.475 2.458 2.504 0.094 6 0 "[ . 1]" 1
124 1 10 DT H3 2 3 DA H2 . . 1.800 2.798 2.764 2.833 1.033 8 10 [**-****+**] 1
125 1 10 DT H3 2 3 DA Q6 . . 1.800 2.280 2.251 2.305 0.505 9 3 "[ * +-]" 1
126 1 10 DT H3' 1 10 DT H6 . . 2.690 3.806 3.788 3.827 1.137 1 10 [+-********] 1
127 1 10 DT H4' 1 10 DT H6 . . 3.300 4.279 4.263 4.286 0.986 6 10 [**-**+****] 1
128 1 10 DT H5' 1 10 DT H6 . . 3.820 3.436 3.398 3.491 . 0 0 "[ . 1]" 1
129 1 10 DT H6 1 11 DA H8 . . 2.980 4.466 4.418 4.507 1.527 2 10 [-+********] 1
130 1 11 DA H1' 1 11 DA H2 . . 2.660 4.353 4.341 4.360 1.700 4 10 [**-+******] 1
131 1 11 DA H1' 1 11 DA Q2' . . 2.100 2.363 2.360 2.367 0.267 4 0 "[ . 1]" 1
132 1 11 DA H1' 1 11 DA H8 . . 2.270 3.819 3.815 3.822 1.552 7 10 [***-**+***] 1
133 1 11 DA H1' 1 12 DG H8 . . 2.380 2.953 2.928 2.964 0.584 9 10 [******-*+*] 1
134 1 11 DA H2 2 2 DT H3 . . 1.800 2.886 2.847 2.908 1.108 1 10 [+***-*****] 1
135 1 11 DA Q2' 1 11 DA H8 . . 1.990 2.114 2.101 2.132 0.142 2 0 "[ . 1]" 1
136 1 11 DA Q2' 1 12 DG H8 . . 2.560 2.385 2.352 2.402 . 0 0 "[ . 1]" 1
137 1 11 DA H3' 1 11 DA H8 . . 3.640 4.297 4.285 4.313 0.673 5 10 [**-*+*****] 1
138 1 11 DA H4' 1 12 DG H8 . . 4.030 5.623 5.607 5.638 1.608 5 10 [-***+*****] 1
139 1 11 DA Q6 2 2 DT H3 . . 1.800 2.220 2.201 2.266 0.466 5 0 "[ . 1]" 1
140 1 11 DA H8 1 12 DG H8 . . 2.400 4.543 4.526 4.553 2.153 6 10 [*****+-***] 1
141 1 12 DG H1' 1 12 DG Q2' . . 1.760 2.160 2.151 2.171 0.411 10 0 "[ . 1]" 1
142 1 12 DG H1' 1 12 DG H8 . . 2.640 3.613 3.608 3.620 0.980 3 10 [*-+*******] 1
143 1 12 DG Q2' 1 12 DG H8 . . 2.020 2.012 1.996 2.024 0.004 9 0 "[ . 1]" 1
144 1 12 DG H3' 1 12 DG H8 . . 2.350 4.019 3.995 4.044 1.694 6 10 [*****+**-*] 1
145 1 12 DG H4' 1 12 DG H8 . . 3.220 4.751 4.722 4.777 1.557 5 10 [**-*+*****] 1
146 1 12 DG H5' 1 12 DG H8 . . 4.130 3.822 3.742 3.914 . 0 0 "[ . 1]" 1
147 2 1 DC H1' 2 1 DC Q2' . . 1.910 2.260 2.247 2.270 0.360 5 0 "[ . 1]" 1
148 2 1 DC H1' 2 1 DC H6 . . 1.930 3.604 3.597 3.608 1.678 5 10 [****+****-] 1
149 2 1 DC H1' 2 2 DT H6 . . 2.400 2.926 2.861 2.979 0.579 10 7 "[* -*** *+]" 1
150 2 1 DC Q2' 2 1 DC H5 . . 2.970 3.899 3.888 3.912 0.942 3 10 [**+****-**] 1
151 2 1 DC Q2' 2 1 DC H6 . . 2.100 1.939 1.934 1.946 . 0 0 "[ . 1]" 1
152 2 1 DC Q2' 2 2 DT H6 . . 2.740 2.143 2.109 2.168 . 0 0 "[ . 1]" 1
153 2 1 DC H3' 2 1 DC H6 . . 2.260 3.571 3.549 3.606 1.346 3 10 [**+-******] 1
154 2 1 DC H3' 2 2 DT H6 . . 2.810 4.676 4.652 4.687 1.877 8 10 [*****-*+**] 1
155 2 1 DC H4' 2 1 DC H6 . . 2.110 4.461 4.439 4.503 2.393 3 10 [-*+*******] 1
156 2 1 DC H5 2 1 DC Q5' . . 2.290 4.472 4.394 4.544 2.254 3 10 [**+*-*****] 1
157 2 1 DC Q5' 2 1 DC H6 . . 2.110 2.379 2.293 2.450 0.340 3 0 "[ . 1]" 1
158 2 1 DC H6 2 2 DT H6 . . 2.330 4.586 4.554 4.623 2.293 6 10 [**-**+****] 1
159 2 2 DT H1' 2 2 DT Q2' . . 2.040 2.274 2.269 2.283 0.243 6 0 "[ . 1]" 1
160 2 2 DT H1' 2 2 DT H6 . . 2.310 3.609 3.602 3.613 1.303 5 10 [*-**+*****] 1
161 2 2 DT H1' 2 3 DA H8 . . 2.960 3.763 3.747 3.775 0.815 5 10 [****+****-] 1
162 2 2 DT Q2' 2 2 DT H6 . . 1.950 2.184 2.158 2.217 0.267 9 0 "[ . 1]" 1
163 2 2 DT Q2' 2 3 DA H8 . . 2.440 2.392 2.363 2.421 . 0 0 "[ . 1]" 1
164 2 2 DT H3' 2 3 DA H8 . . 3.560 5.059 5.031 5.073 1.513 6 10 [*****+***-] 1
165 2 2 DT H4' 2 2 DT H6 . . 2.450 4.487 4.474 4.498 2.048 6 10 [*-***+****] 1
166 2 2 DT H5' 2 2 DT H6 . . 4.100 3.846 3.829 3.866 . 0 0 "[ . 1]" 1
167 2 2 DT H6 2 3 DA H8 . . 2.360 4.416 4.240 4.525 2.165 10 10 [*****-***+] 1
168 2 3 DA H1' 2 3 DA Q2' . . 2.280 2.323 2.315 2.329 0.049 8 0 "[ . 1]" 1
169 2 3 DA H1' 2 3 DA H8 . . 2.230 3.822 3.818 3.828 1.598 10 10 [******-**+] 1
170 2 3 DA H1' 2 4 DG H8 . . 2.740 3.224 3.178 3.271 0.531 6 4 "[ * .+* -1]" 1
171 2 3 DA H2 2 4 DG H1 . . 1.800 4.496 4.379 4.579 2.779 7 10 [*-****+***] 1
172 2 3 DA Q2' 2 3 DA H8 . . 2.050 2.205 2.186 2.219 0.169 9 0 "[ . 1]" 1
173 2 3 DA Q2' 2 4 DG H8 . . 2.740 2.358 2.349 2.379 . 0 0 "[ . 1]" 1
174 2 3 DA H3' 2 3 DA H8 . . 3.550 4.198 4.176 4.213 0.663 7 10 [-*****+***] 1
175 2 3 DA H3' 2 4 DG H8 . . 5.430 5.163 5.145 5.195 . 0 0 "[ . 1]" 1
176 2 3 DA H4' 2 4 DG H8 . . 3.750 5.457 5.442 5.476 1.726 2 10 [-+********] 1
177 2 3 DA H8 2 4 DG H8 . . 2.940 4.963 4.924 4.987 2.047 9 10 [******-*+*] 1
178 2 4 DG H1' 2 4 DG Q2' . . 2.010 2.183 2.175 2.224 0.214 6 0 "[ . 1]" 1
179 2 4 DG H1' 2 4 DG H8 . . 2.150 3.684 3.679 3.689 1.539 9 10 [*******-+*] 1
180 2 4 DG H1' 2 5 DC H6 . . 2.510 4.123 4.083 4.163 1.653 1 10 [+-********] 1
181 2 4 DG Q2' 2 4 DG H8 . . 2.040 2.086 2.067 2.106 0.066 10 0 "[ . 1]" 1
182 2 4 DG Q2' 2 5 DC H5 . . 2.320 2.898 2.838 2.933 0.613 10 10 [*****-***+] 1
183 2 4 DG Q2' 2 5 DC H6 . . 3.190 2.745 2.726 2.773 . 0 0 "[ . 1]" 1
184 2 4 DG H3' 2 4 DG H8 . . 3.620 4.085 4.051 4.121 0.501 1 1 "[+ . 1]" 1
185 2 4 DG H4' 2 4 DG H8 . . 3.500 4.695 4.680 4.727 1.227 2 10 [*+***-****] 1
186 2 4 DG Q5' 2 4 DG H8 . . 2.340 3.511 3.449 3.610 1.270 6 10 [*-***+****] 1
187 2 4 DG H8 2 5 DC H5 . . 3.030 3.530 3.510 3.578 0.548 6 5 "[ * -+ **1]" 1
188 2 4 DG H8 2 5 DC H6 . . 3.030 4.993 4.959 5.072 2.042 6 10 [*****+***-] 1
189 2 5 DC H1' 2 5 DC Q2' . . 2.400 2.317 2.309 2.332 . 0 0 "[ . 1]" 1
190 2 5 DC H1' 2 5 DC H5 . . 3.760 5.244 5.240 5.255 1.495 6 10 [**-**+****] 1
191 2 5 DC H1' 2 5 DC H6 . . 2.910 3.637 3.630 3.663 0.753 6 10 [*****+*-**] 1
192 2 5 DC Q2' 2 5 DC H5 . . 2.580 4.073 4.060 4.078 1.498 5 10 [-***+*****] 1
193 2 5 DC Q2' 2 5 DC H6 . . 2.420 2.029 2.023 2.034 . 0 0 "[ . 1]" 1
194 2 5 DC H3' 2 5 DC H6 . . 3.600 4.234 4.136 4.262 0.662 4 10 [-**+******] 1
195 2 7 DG H1' 2 7 DG Q2' . . 2.210 2.314 2.279 2.329 0.119 6 0 "[ . 1]" 1
196 2 7 DG H1' 2 7 DG H8 . . 2.800 3.877 3.872 3.884 1.084 1 10 [+-********] 1
197 2 7 DG H1' 2 8 DT H6 . . 2.830 3.658 3.433 4.127 1.297 10 10 [-********+] 1
198 2 7 DG Q2' 2 7 DG H8 . . 2.870 2.561 2.539 2.602 . 0 0 "[ . 1]" 1
199 2 7 DG Q2' 2 8 DT H6 . . 2.700 2.478 2.430 2.679 . 0 0 "[ . 1]" 1
200 2 7 DG H3' 2 7 DG H8 . . 3.640 4.498 4.455 4.603 0.963 9 10 [-*******+*] 1
201 2 7 DG H4' 2 7 DG H8 . . 2.630 4.782 4.723 4.814 2.184 7 10 [******+**-] 1
202 2 7 DG H5' 2 7 DG H8 . . 4.130 4.075 3.981 4.160 0.030 7 0 "[ . 1]" 1
203 2 7 DG H8 2 8 DT H6 . . 3.270 5.144 5.099 5.189 1.919 1 10 [+********-] 1
204 2 8 DT H1' 2 8 DT Q2' . . 2.200 2.270 2.236 2.284 0.084 1 0 "[ . 1]" 1
205 2 8 DT H1' 2 8 DT H6 . . 2.310 3.698 3.688 3.739 1.429 9 10 [******-*+*] 1
206 2 8 DT H1' 2 9 DC H5 . . 2.710 4.137 4.076 4.201 1.491 10 10 [*****-***+] 1
207 2 8 DT H1' 2 9 DC H6 . . 2.620 3.368 3.321 3.568 0.948 10 10 [********-+] 1
208 2 8 DT Q2' 2 8 DT H6 . . 2.860 2.065 2.038 2.155 . 0 0 "[ . 1]" 1
209 2 8 DT Q2' 2 9 DC H5 . . 2.950 2.663 2.490 2.758 . 0 0 "[ . 1]" 1
210 2 8 DT H3' 2 8 DT H6 . . 2.450 4.034 4.004 4.095 1.645 10 10 [*-*******+] 1
211 2 8 DT H4' 2 8 DT H6 . . 4.780 4.713 4.688 4.730 . 0 0 "[ . 1]" 1
212 2 8 DT Q5' 2 8 DT H6 . . 2.020 3.567 2.423 3.885 1.865 1 9 "[+******* -]" 1
213 2 8 DT H6 2 9 DC H5 . . 2.970 3.905 3.844 3.936 0.966 9 10 [**-*****+*] 1
214 2 8 DT H6 2 9 DC H6 . . 2.880 5.091 5.000 5.237 2.357 10 10 [****-****+] 1
215 2 9 DC H1' 2 9 DC Q2' . . 1.930 2.279 2.261 2.289 0.359 8 0 "[ . 1]" 1
216 2 9 DC H1' 2 9 DC H6 . . 3.300 3.702 3.693 3.705 0.405 4 0 "[ . 1]" 1
217 2 9 DC H1' 2 10 DA H8 . . 2.740 3.336 3.303 3.361 0.621 9 10 [****-***+*] 1
218 2 9 DC Q2' 2 9 DC H5 . . 1.970 3.930 3.923 3.943 1.973 9 10 [*****-**+*] 1
219 2 9 DC Q2' 2 9 DC H6 . . 1.870 1.931 1.923 1.941 0.071 4 0 "[ . 1]" 1
220 2 9 DC Q2' 2 10 DA H8 . . 2.570 2.430 2.400 2.455 . 0 0 "[ . 1]" 1
221 2 9 DC H3' 2 9 DC H6 . . 2.230 3.893 3.859 3.913 1.683 9 10 [********+-] 1
222 2 9 DC H6 2 10 DA H8 . . 3.730 4.819 4.722 4.853 1.123 1 10 [+*******-*] 1
223 2 10 DA H1' 2 10 DA H2 . . 3.430 4.238 4.229 4.251 0.821 10 10 [***-*****+] 1
224 2 10 DA H1' 2 10 DA Q2' . . 2.090 2.320 2.299 2.337 0.247 10 0 "[ . 1]" 1
225 2 10 DA H1' 2 10 DA H8 . . 2.420 3.686 3.671 3.699 1.279 7 10 [***-**+***] 1
226 2 10 DA H1' 2 11 DT H1' . . 2.810 4.989 4.878 5.035 2.225 9 10 [*-******+*] 1
227 2 10 DA H1' 2 11 DT H6 . . 2.400 3.199 3.108 3.260 0.860 10 10 [*-*******+] 1
228 2 10 DA H2 2 11 DT H1' . . 3.610 3.970 3.890 4.013 0.403 4 0 "[ . 1]" 1
229 2 10 DA H2 2 11 DT H3 . . 1.800 4.086 4.024 4.126 2.326 3 10 [**+***-***] 1
230 2 10 DA Q2' 2 10 DA H8 . . 2.280 2.094 2.087 2.099 . 0 0 "[ . 1]" 1
231 2 10 DA Q2' 2 11 DT H6 . . 2.860 2.687 2.677 2.699 . 0 0 "[ . 1]" 1
232 2 10 DA H3' 2 10 DA H8 . . 3.930 4.287 4.268 4.303 0.373 4 0 "[ . 1]" 1
233 2 10 DA H4' 2 10 DA H8 . . 4.050 4.937 4.921 4.950 0.900 2 10 [*+******-*] 1
234 2 10 DA Q5' 2 10 DA H8 . . 2.250 3.904 3.868 3.960 1.710 10 10 [**-******+] 1
235 2 10 DA H8 2 11 DT H6 . . 2.690 4.826 4.796 4.864 2.174 4 10 [**-+******] 1
236 2 11 DT H1' 2 11 DT Q2' . . 2.250 2.314 2.311 2.320 0.070 6 0 "[ . 1]" 1
237 2 11 DT H1' 2 11 DT H6 . . 2.570 3.483 3.477 3.490 0.920 4 10 [**-+******] 1
238 2 11 DT H1' 2 12 DC H6 . . 2.430 3.662 3.578 3.711 1.281 9 10 [*-******+*] 1
239 2 11 DT Q2' 2 11 DT H6 . . 2.060 1.970 1.967 1.976 . 0 0 "[ . 1]" 1
240 2 11 DT Q2' 2 12 DC H6 . . 1.980 2.480 2.447 2.500 0.520 9 6 "[ *-** +*]" 1
241 2 11 DT H3' 2 11 DT H6 . . 2.850 3.892 3.883 3.904 1.054 1 10 [+-********] 1
242 2 11 DT H3' 2 12 DC H6 . . 5.470 5.280 5.256 5.293 . 0 0 "[ . 1]" 1
243 2 11 DT H4' 2 11 DT H6 . . 2.460 4.317 4.299 4.332 1.872 9 10 [**-*****+*] 1
244 2 11 DT H6 2 12 DC H5 . . 3.160 3.752 3.744 3.767 0.607 6 10 [*-***+****] 1
245 2 11 DT H6 2 12 DC H6 . . 2.540 4.284 4.247 4.317 1.777 2 10 [*+******-*] 1
246 2 12 DC H1' 2 12 DC Q2' . . 1.920 2.169 2.155 2.182 0.262 1 0 "[ . 1]" 1
247 2 12 DC H1' 2 12 DC H6 . . 2.700 3.564 3.556 3.569 0.869 9 10 [**-*****+*] 1
248 2 12 DC Q2' 2 12 DC H6 . . 1.920 2.495 2.447 2.558 0.638 3 10 [-*+*******] 1
249 2 12 DC H3' 2 12 DC H6 . . 3.600 3.823 3.762 3.894 0.294 6 0 "[ . 1]" 1
250 2 12 DC H4' 2 12 DC H6 . . 2.800 4.464 4.411 4.497 1.697 10 10 [**-******+] 1
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