NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372181 |
1d6d   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d6d
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 225
_Distance_constraint_stats_list.Viol_count 363
_Distance_constraint_stats_list.Viol_total 13674.129
_Distance_constraint_stats_list.Viol_max 21.572
_Distance_constraint_stats_list.Viol_rms 3.2460
_Distance_constraint_stats_list.Viol_average_all_restraints 0.9496
_Distance_constraint_stats_list.Viol_average_violations_only 4.7087
_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
2 1 DA 449.873 21.572 8 8 [****-**+]
2 2 DA 656.689 15.076 7 8 [***-**+*]
2 3 DG 287.803 9.517 1 8 [+*****-*]
2 4 DG 2.320 0.200 1 0 "[ . ]"
2 5 DT 2.076 0.270 6 0 "[ . ]"
2 6 DT 2.835 0.371 3 0 "[ . ]"
2 7 DT 449.193 21.572 8 8 [****-**+]
2 8 DT 1.625 0.188 7 0 "[ . ]"
2 9 DA 308.917 11.700 2 8 [*+-*****]
2 10 DA 942.142 15.076 7 8 [******+*]
2 11 DG 2.806 0.277 5 0 "[ . ]"
2 12 DG 308.048 11.700 2 8 [*+-*****]
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 2 1 DA H2' 2 1 DA H8 3.100 2.480 3.720 3.723 3.641 3.804 0.084 5 0 "[ . ]" 1
2 2 1 DA H1' 2 1 DA H3' 3.330 2.660 4.000 3.981 3.966 4.000 0.000 3 0 "[ . ]" 1
3 2 1 DA H1' 2 1 DA Q5' 4.370 3.720 5.240 4.274 4.105 4.375 . 0 0 "[ . ]" 1
4 2 1 DA H1' 2 1 DA H8 2.460 . 2.950 2.536 2.501 2.581 . 0 0 "[ . ]" 1
5 2 1 DA H2'' 2 1 DA H8 3.170 2.540 3.800 3.531 3.389 3.651 . 0 0 "[ . ]" 1
6 2 1 DA H4' 2 1 DA Q5' 2.340 . 2.810 2.296 2.206 2.395 . 0 0 "[ . ]" 1
7 2 1 DA H3' 2 1 DA H8 4.120 2.620 5.620 5.673 5.615 5.728 0.108 5 0 "[ . ]" 1
8 2 1 DA H8 2 2 DA H3' 5.800 4.640 6.960 6.101 5.899 6.249 . 0 0 "[ . ]" 1
9 2 1 DA H1' 2 2 DA H3' 4.530 3.420 5.640 5.667 5.498 5.770 0.130 2 0 "[ . ]" 1
10 2 1 DA H1' 2 2 DA H8 3.640 2.440 4.840 4.585 4.426 4.741 . 0 0 "[ . ]" 1
11 2 1 DA H8 2 2 DA Q5' 4.460 3.570 4.500 4.541 4.494 4.589 0.089 1 0 "[ . ]" 1
12 2 1 DA H1' 2 2 DA H2 5.540 4.430 6.650 6.731 6.628 6.841 0.191 7 0 "[ . ]" 1
13 2 1 DA H1' 2 2 DA H4' 3.180 2.060 4.300 4.383 4.306 4.462 0.162 1 0 "[ . ]" 1
14 2 1 DA H8 2 2 DA H4' 4.570 3.660 5.480 4.812 4.607 5.071 . 0 0 "[ . ]" 1
15 2 1 DA H3' 2 2 DA H8 3.680 2.940 4.420 4.221 3.934 4.474 0.054 1 0 "[ . ]" 1
16 2 1 DA H8 2 2 DA H8 4.180 3.340 5.020 4.439 4.225 4.742 . 0 0 "[ . ]" 1
17 2 1 DA H8 2 2 DA H2 4.740 3.790 5.690 4.228 4.087 4.339 . 0 0 "[ . ]" 1
18 2 1 DA H2' 2 2 DA H8 2.660 2.130 3.190 2.725 2.589 2.812 . 0 0 "[ . ]" 1
19 2 1 DA H2 2 7 DT Q2' 3.170 2.380 3.580 21.844 20.820 22.624 19.044 8 8 [****-**+] 1
20 2 1 DA H2 2 7 DT H3' 4.370 3.500 5.240 25.941 25.026 26.812 21.572 8 8 [****-**+] 1
21 2 1 DA H2 2 7 DT H1' 4.390 3.510 5.270 22.201 21.420 23.039 17.769 8 8 [****-**+] 1
22 2 2 DA H3' 2 2 DA H8 3.400 2.720 4.080 3.686 3.500 3.920 . 0 0 "[ . ]" 1
23 2 2 DA H3' 2 2 DA Q5' 2.820 2.260 3.220 2.556 2.521 2.663 . 0 0 "[ . ]" 1
24 2 2 DA Q2' 2 2 DA H8 2.780 . 3.780 2.294 2.251 2.337 . 0 0 "[ . ]" 1
25 2 2 DA H1' 2 2 DA H8 3.290 2.630 3.950 3.894 3.887 3.901 . 0 0 "[ . ]" 1
26 2 2 DA H1' 2 2 DA Q2' 2.620 2.100 3.120 2.199 2.179 2.219 . 0 0 "[ . ]" 1
27 2 2 DA H1' 2 2 DA H3' 3.410 2.730 4.090 3.945 3.922 3.966 . 0 0 "[ . ]" 1
28 2 2 DA Q2' 2 2 DA H3' 2.440 2.060 2.930 2.149 2.144 2.159 . 0 0 "[ . ]" 1
29 2 2 DA H4' 2 2 DA H8 4.420 3.540 5.300 4.963 4.895 5.051 . 0 0 "[ . ]" 1
30 2 2 DA Q5' 2 2 DA H8 3.930 3.670 4.720 4.273 4.187 4.515 . 0 0 "[ . ]" 1
31 2 2 DA H1' 2 2 DA H2 4.240 3.390 5.090 4.458 4.430 4.474 . 0 0 "[ . ]" 1
32 2 2 DA H8 2 10 DA H2 4.710 3.610 5.810 13.319 12.476 14.953 9.143 1 8 [+**-****] 1
33 2 2 DA H3' 2 10 DA H2 4.370 3.170 5.570 13.546 12.478 15.035 9.465 1 8 [+*****-*] 1
34 2 2 DA H2 2 10 DA H3' 4.030 3.220 4.840 19.617 18.455 19.916 15.076 7 8 [****-*+*] 1
35 2 2 DA H2 2 10 DA H2 5.800 4.100 7.500 16.934 16.278 18.193 10.693 1 8 [+**-****] 1
36 2 2 DA H1' 2 10 DA H2 3.040 2.430 3.650 15.203 14.390 16.590 12.940 1 8 [+**-****] 1
37 2 2 DA Q2' 2 10 DA H2 3.030 2.420 3.640 11.565 10.876 12.813 9.173 1 8 [+**-****] 1
38 2 2 DA H2 2 10 DA Q2' 3.250 2.600 3.900 16.200 15.338 16.697 12.797 1 8 [+***-***] 1
39 2 2 DA H2 2 10 DA H1' 4.520 3.320 5.720 16.068 14.983 16.570 10.850 1 8 [+***-***] 1
40 2 3 DG H2' 2 3 DG H4' 3.260 2.610 3.910 3.922 3.913 3.930 0.020 6 0 "[ . ]" 1
41 2 3 DG H2' 2 3 DG Q5' 2.700 2.260 3.240 2.866 2.827 2.959 . 0 0 "[ . ]" 1
42 2 3 DG H2' 2 3 DG H8 3.960 3.170 4.750 4.443 4.416 4.489 . 0 0 "[ . ]" 1
43 2 3 DG H2'' 2 3 DG H4' 3.480 2.780 4.180 3.905 3.857 3.925 . 0 0 "[ . ]" 1
44 2 3 DG H1' 2 3 DG H3' 3.470 2.780 4.160 3.962 3.946 3.983 . 0 0 "[ . ]" 1
45 2 3 DG H4' 2 3 DG H8 4.390 3.090 5.690 5.547 5.504 5.592 . 0 0 "[ . ]" 1
46 2 3 DG H2'' 2 3 DG H8 3.650 2.920 4.380 4.294 4.244 4.358 . 0 0 "[ . ]" 1
47 2 3 DG H3' 2 3 DG H8 5.280 4.220 6.340 6.085 6.056 6.116 . 0 0 "[ . ]" 1
48 2 3 DG H1' 2 3 DG H2' 2.920 2.340 3.500 2.983 2.975 2.993 . 0 0 "[ . ]" 1
49 2 3 DG H1' 2 3 DG H8 2.380 . 2.860 2.545 2.529 2.566 . 0 0 "[ . ]" 1
50 2 3 DG H1' 2 3 DG H2'' 2.640 2.110 3.170 2.299 2.291 2.312 . 0 0 "[ . ]" 1
51 2 3 DG H4' 2 4 DG H8 5.260 4.210 6.310 6.407 6.351 6.469 0.159 1 0 "[ . ]" 1
52 2 3 DG H1' 2 4 DG H8 3.250 2.600 3.900 3.958 3.790 4.039 0.139 3 0 "[ . ]" 1
53 2 3 DG H2'' 2 4 DG H8 2.650 2.120 3.180 2.558 2.509 2.627 . 0 0 "[ . ]" 1
54 2 3 DG H8 2 4 DG H2'' 4.650 3.720 5.580 5.387 5.341 5.467 . 0 0 "[ . ]" 1
55 2 3 DG H8 2 4 DG H8 4.120 3.300 4.940 4.710 4.311 4.845 . 0 0 "[ . ]" 1
56 2 3 DG H8 2 4 DG H2' 5.030 4.020 6.040 5.425 5.212 5.552 . 0 0 "[ . ]" 1
57 2 3 DG H3' 2 4 DG H8 4.170 3.340 5.000 4.953 4.827 5.092 0.092 5 0 "[ . ]" 1
58 2 3 DG H8 2 4 DG H1' 3.360 2.690 4.030 3.212 3.168 3.276 . 0 0 "[ . ]" 1
59 2 3 DG H8 2 4 DG Q5' 3.910 3.130 4.630 4.538 4.459 4.632 0.002 6 0 "[ . ]" 1
60 2 3 DG H1' 2 4 DG H3' 4.210 3.370 5.050 4.648 4.545 4.717 . 0 0 "[ . ]" 1
61 2 3 DG H8 2 4 DG H4' 3.710 2.970 4.450 4.364 4.296 4.466 0.016 1 0 "[ . ]" 1
62 2 3 DG H8 2 4 DG H3' 5.420 4.340 6.500 5.971 5.768 6.087 . 0 0 "[ . ]" 1
63 2 3 DG H2' 2 4 DG H8 2.990 2.390 3.590 3.236 3.031 3.412 . 0 0 "[ . ]" 1
64 2 3 DG H4' 2 10 DA H2 4.310 3.450 5.170 13.976 13.505 14.687 9.517 1 8 [+*****-*] 1
65 2 3 DG H8 2 10 DA H1' 4.250 3.400 5.100 13.210 12.215 13.480 8.380 3 8 [**+*-***] 1
66 2 3 DG H3' 2 10 DA H2 5.540 4.430 6.650 11.550 10.976 12.157 5.507 1 8 [+*****-*] 1
67 2 3 DG H8 2 10 DA H2 4.870 3.900 5.840 12.367 11.692 13.202 7.362 1 8 [+**-****] 1
68 2 3 DG Q5' 2 10 DA H2 3.200 2.820 3.840 11.271 10.690 12.121 8.281 1 8 [+**-****] 1
69 2 4 DG H3' 2 4 DG Q5' 2.730 2.540 3.280 2.515 2.484 2.597 0.056 2 0 "[ . ]" 1
70 2 4 DG H2' 2 4 DG H3' 2.460 . 2.950 2.249 2.242 2.265 . 0 0 "[ . ]" 1
71 2 4 DG H4' 2 4 DG H8 3.870 2.880 4.860 4.798 4.722 4.837 . 0 0 "[ . ]" 1
72 2 4 DG H1' 2 4 DG Q5' 3.490 2.390 4.260 4.268 4.254 4.282 0.022 1 0 "[ . ]" 1
73 2 4 DG Q5' 2 4 DG H8 3.860 3.090 4.630 4.317 4.200 4.389 . 0 0 "[ . ]" 1
74 2 4 DG H1' 2 4 DG H8 3.640 2.910 4.370 3.865 3.855 3.872 . 0 0 "[ . ]" 1
75 2 4 DG H1' 2 4 DG H3' 3.410 2.730 4.090 3.927 3.915 3.933 . 0 0 "[ . ]" 1
76 2 4 DG H1' 2 4 DG H4' 2.830 2.260 3.400 2.961 2.931 3.019 . 0 0 "[ . ]" 1
77 2 4 DG H1' 2 4 DG H2' 2.600 2.080 3.120 2.946 2.911 2.965 . 0 0 "[ . ]" 1
78 2 4 DG H3' 2 4 DG H8 3.380 2.700 4.060 3.485 3.148 3.681 . 0 0 "[ . ]" 1
79 2 4 DG H2'' 2 4 DG H8 2.830 . 4.130 4.070 4.048 4.092 . 0 0 "[ . ]" 1
80 2 4 DG H1' 2 4 DG H2'' 2.430 . 2.920 2.268 2.257 2.279 . 0 0 "[ . ]" 1
81 2 4 DG H2' 2 4 DG H8 2.620 2.100 3.140 2.545 2.526 2.583 . 0 0 "[ . ]" 1
82 2 4 DG H2'' 2 4 DG H3' 2.630 2.100 3.160 2.894 2.865 2.941 . 0 0 "[ . ]" 1
83 2 4 DG H3' 2 5 DT H6 4.120 3.300 4.940 4.607 4.437 4.771 . 0 0 "[ . ]" 1
84 2 4 DG H2'' 2 5 DT H6 2.950 2.360 3.540 2.756 2.603 2.860 . 0 0 "[ . ]" 1
85 2 4 DG H8 2 5 DT H6 4.050 3.240 4.860 4.905 4.777 5.060 0.200 1 0 "[ . ]" 1
86 2 4 DG H1' 2 5 DT H6 3.620 2.320 4.920 4.496 4.273 4.676 . 0 0 "[ . ]" 1
87 2 5 DT H1' 2 5 DT Q5' 3.590 2.870 4.260 4.257 4.183 4.310 0.050 1 0 "[ . ]" 1
88 2 5 DT Q5' 2 5 DT H6 3.760 3.010 4.270 4.007 3.509 4.294 0.024 5 0 "[ . ]" 1
89 2 5 DT H4' 2 5 DT H6 3.950 3.160 4.740 4.636 4.506 4.763 0.023 5 0 "[ . ]" 1
90 2 5 DT H2'' 2 5 DT H6 2.610 . 3.860 3.779 3.651 3.865 0.005 2 0 "[ . ]" 1
91 2 5 DT H3' 2 5 DT H6 3.740 2.990 4.490 3.664 3.213 4.065 . 0 0 "[ . ]" 1
92 2 5 DT H1' 2 5 DT H3' 3.730 2.980 4.480 3.916 3.837 3.977 . 0 0 "[ . ]" 1
93 2 5 DT H1' 2 5 DT H2' 2.760 2.210 3.310 2.999 2.953 3.021 . 0 0 "[ . ]" 1
94 2 5 DT H1' 2 5 DT H6 3.330 2.660 4.000 3.732 3.715 3.741 . 0 0 "[ . ]" 1
95 2 5 DT H1' 2 5 DT H2'' 2.590 2.070 3.110 2.334 2.286 2.370 . 0 0 "[ . ]" 1
96 2 5 DT H1' 2 6 DT H2' 2.810 . 4.210 2.515 2.306 2.629 . 0 0 "[ . ]" 1
97 2 5 DT H1' 2 6 DT H2'' 2.990 . 3.990 3.710 3.187 4.260 0.270 6 0 "[ . ]" 1
98 2 5 DT H2' 2 6 DT H6 4.340 3.470 5.210 5.299 5.232 5.404 0.194 5 0 "[ . ]" 1
99 2 5 DT H1' 2 6 DT H6 3.320 2.660 3.980 3.493 3.022 4.004 0.024 4 0 "[ . ]" 1
100 2 5 DT H3' 2 6 DT H6 5.800 4.200 7.400 4.705 4.197 5.331 0.003 4 0 "[ . ]" 1
101 2 5 DT H2'' 2 6 DT H6 4.060 3.250 4.870 4.068 3.762 4.356 . 0 0 "[ . ]" 1
102 2 5 DT H6 2 6 DT H3' 4.550 2.550 6.550 6.546 6.395 6.632 0.082 1 0 "[ . ]" 1
103 2 5 DT H1' 2 6 DT H3' 3.560 2.360 4.760 4.283 4.091 4.441 . 0 0 "[ . ]" 1
104 2 5 DT H6 2 6 DT H6 4.890 2.890 6.890 6.629 6.489 6.770 . 0 0 "[ . ]" 1
105 2 5 DT H2'' 2 7 DT H6 3.830 2.830 4.830 3.734 3.228 4.430 . 0 0 "[ . ]" 1
106 2 5 DT H1' 2 7 DT H6 5.150 4.120 6.180 5.043 4.531 5.436 . 0 0 "[ . ]" 1
107 2 6 DT H1' 2 6 DT Q5' 4.370 3.550 5.240 4.379 4.320 4.411 . 0 0 "[ . ]" 1
108 2 6 DT H1' 2 6 DT H2'' 2.610 2.090 3.130 2.335 2.311 2.371 . 0 0 "[ . ]" 1
109 2 6 DT Q5' 2 6 DT H6 3.490 2.790 4.190 3.543 3.369 3.728 . 0 0 "[ . ]" 1
110 2 6 DT H2' 2 6 DT H6 2.750 . 4.750 2.610 2.412 2.845 . 0 0 "[ . ]" 1
111 2 6 DT H1' 2 6 DT H2' 2.860 2.290 3.430 2.992 2.974 3.006 . 0 0 "[ . ]" 1
112 2 6 DT H1' 2 6 DT H6 3.390 2.710 4.070 3.724 3.661 3.761 . 0 0 "[ . ]" 1
113 2 6 DT H2'' 2 6 DT H6 2.980 . 4.180 4.052 3.915 4.201 0.021 8 0 "[ . ]" 1
114 2 6 DT H1' 2 6 DT H3' 3.620 2.900 4.340 3.972 3.942 4.001 . 0 0 "[ . ]" 1
115 2 6 DT H1' 2 6 DT H4' 3.270 2.620 3.920 3.308 3.237 3.404 . 0 0 "[ . ]" 1
116 2 6 DT H2' 2 6 DT H3' 2.490 . 2.990 2.267 2.240 2.291 . 0 0 "[ . ]" 1
117 2 6 DT H3' 2 6 DT H6 3.630 2.900 4.360 3.798 3.509 4.020 . 0 0 "[ . ]" 1
118 2 6 DT H6 2 7 DT Q5' 5.730 4.580 6.580 6.152 6.018 6.222 . 0 0 "[ . ]" 1
119 2 6 DT H3' 2 7 DT H6 3.760 3.010 4.510 4.010 3.451 4.498 . 0 0 "[ . ]" 1
120 2 6 DT H1' 2 7 DT Q5' 3.290 2.910 3.950 3.573 3.387 3.750 . 0 0 "[ . ]" 1
121 2 6 DT H2'' 2 7 DT H6 3.270 2.470 4.070 3.783 3.608 3.891 . 0 0 "[ . ]" 1
122 2 6 DT H1' 2 7 DT H6 5.100 4.080 6.120 6.042 5.822 6.130 0.010 3 0 "[ . ]" 1
123 2 6 DT H2'' 2 7 DT H4' 3.770 2.270 5.270 3.943 3.317 4.386 . 0 0 "[ . ]" 1
124 2 6 DT H6 2 7 DT H6 5.600 4.480 6.720 6.889 6.728 7.091 0.371 3 0 "[ . ]" 1
125 2 7 DT H1' 2 7 DT H6 3.490 2.790 4.190 3.696 3.659 3.712 . 0 0 "[ . ]" 1
126 2 7 DT Q2' 2 7 DT H4' 3.870 3.220 4.640 3.474 3.435 3.495 . 0 0 "[ . ]" 1
127 2 7 DT H3' 2 7 DT H6 3.450 2.760 4.140 3.952 3.691 4.039 . 0 0 "[ . ]" 1
128 2 7 DT H4' 2 7 DT Q5' 2.460 . 2.890 2.203 2.187 2.211 . 0 0 "[ . ]" 1
129 2 7 DT Q2' 2 7 DT H3' 2.580 2.060 3.000 2.196 2.179 2.209 . 0 0 "[ . ]" 1
130 2 7 DT H1' 2 7 DT Q2' 2.710 2.170 3.250 2.230 2.212 2.242 . 0 0 "[ . ]" 1
131 2 7 DT H3' 2 7 DT H4' 2.770 2.220 3.320 2.828 2.814 2.856 . 0 0 "[ . ]" 1
132 2 7 DT H1' 2 7 DT H4' 3.050 2.440 3.660 3.299 3.263 3.331 . 0 0 "[ . ]" 1
133 2 7 DT Q2' 2 7 DT H6 2.570 2.060 3.080 2.593 2.524 2.679 . 0 0 "[ . ]" 1
134 2 7 DT Q5' 2 7 DT H6 3.580 2.960 4.300 3.537 3.459 3.604 . 0 0 "[ . ]" 1
135 2 7 DT H4' 2 7 DT H6 4.300 3.440 5.160 4.347 4.298 4.407 . 0 0 "[ . ]" 1
136 2 7 DT H6 2 9 DA H8 5.800 4.640 6.960 6.528 6.249 6.745 . 0 0 "[ . ]" 1
137 2 7 DT H1' 2 9 DA H8 3.880 3.100 4.660 3.984 3.684 4.293 . 0 0 "[ . ]" 1
138 2 7 DT H4' 2 9 DA H2 3.600 2.880 4.320 3.375 3.269 3.557 . 0 0 "[ . ]" 1
139 2 7 DT H1' 2 9 DA H1' 3.460 . 4.960 4.738 4.388 4.930 . 0 0 "[ . ]" 1
140 2 7 DT H1' 2 9 DA H2' 2.980 2.380 3.580 3.184 2.726 3.626 0.046 5 0 "[ . ]" 1
141 2 7 DT H3' 2 9 DA H2 4.970 3.980 5.960 5.487 4.916 5.879 . 0 0 "[ . ]" 1
142 2 7 DT H1' 2 9 DA H2 5.060 4.050 6.070 4.495 4.227 4.719 . 0 0 "[ . ]" 1
143 2 7 DT H1' 2 10 DA H8 5.790 4.630 6.950 6.920 6.367 7.143 0.193 3 0 "[ . ]" 1
144 2 8 DT Q5' 2 8 DT H6 3.910 3.130 4.400 3.528 3.484 3.581 . 0 0 "[ . ]" 1
145 2 8 DT H1' 2 8 DT H3' 4.080 3.260 4.900 3.966 3.940 3.979 . 0 0 "[ . ]" 1
146 2 8 DT H1' 2 8 DT Q5' 4.750 3.820 5.700 4.344 4.321 4.361 . 0 0 "[ . ]" 1
147 2 8 DT H2' 2 8 DT H6 2.490 . 2.990 2.345 2.325 2.379 . 0 0 "[ . ]" 1
148 2 8 DT H1' 2 8 DT H4' 3.270 2.620 3.920 3.384 3.354 3.426 . 0 0 "[ . ]" 1
149 2 8 DT H2'' 2 8 DT H6 2.790 . 3.890 3.873 3.861 3.889 . 0 0 "[ . ]" 1
150 2 8 DT H4' 2 8 DT H6 4.300 3.440 5.160 4.491 4.479 4.508 . 0 0 "[ . ]" 1
151 2 8 DT H1' 2 8 DT H2'' 2.570 2.060 3.080 2.292 2.285 2.308 . 0 0 "[ . ]" 1
152 2 8 DT H1' 2 8 DT H6 3.170 2.540 3.800 3.761 3.752 3.768 . 0 0 "[ . ]" 1
153 2 8 DT H3' 2 8 DT H6 4.040 3.230 4.850 3.696 3.631 3.843 . 0 0 "[ . ]" 1
154 2 8 DT H1' 2 8 DT H2' 2.870 2.300 3.440 2.980 2.973 2.994 . 0 0 "[ . ]" 1
155 2 8 DT H4' 2 9 DA H2' 3.200 2.560 3.840 3.419 3.312 3.577 . 0 0 "[ . ]" 1
156 2 8 DT Q5' 2 9 DA H1' 4.250 3.400 5.100 5.015 4.778 5.104 0.004 6 0 "[ . ]" 1
157 2 8 DT H3' 2 9 DA H2 3.550 2.840 4.260 3.650 3.294 4.184 . 0 0 "[ . ]" 1
158 2 8 DT H4' 2 9 DA H1' 4.320 2.820 5.820 5.882 5.707 6.008 0.188 7 0 "[ . ]" 1
159 2 8 DT H4' 2 9 DA H8 5.440 3.440 7.440 7.467 7.253 7.598 0.158 7 0 "[ . ]" 1
160 2 8 DT H4' 2 9 DA H2 4.590 3.290 5.890 5.759 5.529 5.872 . 0 0 "[ . ]" 1
161 2 8 DT Q5' 2 9 DA H2 3.880 3.100 4.380 3.597 3.314 3.964 . 0 0 "[ . ]" 1
162 2 8 DT H1' 2 9 DA H2 5.800 4.000 7.600 7.450 7.162 7.627 0.027 7 0 "[ . ]" 1
163 2 8 DT H6 2 9 DA H2 4.670 3.740 5.600 5.609 5.368 5.758 0.158 2 0 "[ . ]" 1
164 2 9 DA H3' 2 9 DA H8 4.480 3.130 5.830 5.900 5.828 5.976 0.146 2 0 "[ . ]" 1
165 2 9 DA H1' 2 9 DA H2' 2.960 2.370 3.550 2.976 2.966 3.005 . 0 0 "[ . ]" 1
166 2 9 DA H2' 2 9 DA Q5' 2.940 2.350 3.530 3.163 3.076 3.259 . 0 0 "[ . ]" 1
167 2 9 DA H1' 2 9 DA H2'' 2.550 2.040 3.060 2.302 2.285 2.331 . 0 0 "[ . ]" 1
168 2 9 DA H1' 2 9 DA H8 2.460 . 2.950 2.482 2.462 2.510 . 0 0 "[ . ]" 1
169 2 9 DA H1' 2 9 DA Q5' 4.210 3.370 4.980 4.092 4.076 4.117 . 0 0 "[ . ]" 1
170 2 9 DA H1' 2 9 DA H3' 3.410 2.730 4.090 3.951 3.903 3.969 . 0 0 "[ . ]" 1
171 2 9 DA H2 2 9 DA Q5' 3.960 3.170 4.750 3.572 3.494 3.841 . 0 0 "[ . ]" 1
172 2 9 DA H2' 2 9 DA H8 3.780 3.020 4.540 4.119 3.984 4.282 . 0 0 "[ . ]" 1
173 2 9 DA H2 2 9 DA H2' 4.180 3.340 5.020 4.322 3.867 4.590 . 0 0 "[ . ]" 1
174 2 9 DA H2'' 2 9 DA Q5' 2.950 . 4.250 4.186 4.153 4.215 . 0 0 "[ . ]" 1
175 2 9 DA Q5' 2 9 DA H8 4.890 3.910 5.870 5.564 5.376 5.742 . 0 0 "[ . ]" 1
176 2 9 DA H1' 2 9 DA H4' 3.390 2.710 4.070 3.270 3.099 3.359 . 0 0 "[ . ]" 1
177 2 9 DA H2 2 9 DA H3' 4.580 3.660 5.500 5.140 4.784 5.543 0.043 7 0 "[ . ]" 1
178 2 9 DA H2'' 2 9 DA H8 3.130 2.130 4.130 3.867 3.644 4.122 . 0 0 "[ . ]" 1
179 2 9 DA H1' 2 10 DA H8 2.580 2.060 3.100 2.466 2.432 2.507 . 0 0 "[ . ]" 1
180 2 9 DA H2'' 2 10 DA H8 3.210 2.570 3.850 3.532 3.318 3.926 0.076 2 0 "[ . ]" 1
181 2 9 DA H2' 2 10 DA H8 4.160 3.330 4.990 4.810 4.504 5.006 0.016 2 0 "[ . ]" 1
182 2 9 DA H3' 2 10 DA H8 4.190 3.090 5.290 4.879 4.296 5.401 0.111 7 0 "[ . ]" 1
183 2 9 DA H8 2 10 DA H8 3.390 2.040 4.740 4.353 3.654 4.801 0.061 3 0 "[ . ]" 1
184 2 9 DA H2 2 12 DG H8 3.930 2.530 5.330 14.414 13.533 15.204 9.874 5 8 [**-*+***] 1
185 2 9 DA H2 2 12 DG Q2' 3.230 2.580 3.520 13.477 12.652 14.307 10.787 2 8 [*+-*****] 1
186 2 9 DA H2 2 12 DG H1' 3.570 2.860 4.280 12.790 11.843 13.796 9.516 2 8 [*+-*****] 1
187 2 9 DA H2 2 12 DG H3' 4.420 3.540 5.300 16.042 15.252 17.000 11.700 2 8 [*+-*****] 1
188 2 10 DA H1' 2 10 DA Q2' 2.740 2.190 3.110 2.209 2.195 2.224 . 0 0 "[ . ]" 1
189 2 10 DA Q2' 2 10 DA Q5' 4.020 3.490 4.820 3.793 3.731 3.841 . 0 0 "[ . ]" 1
190 2 10 DA Q5' 2 10 DA H8 4.210 3.370 4.390 3.684 3.577 3.813 . 0 0 "[ . ]" 1
191 2 10 DA Q2' 2 10 DA H8 3.440 2.980 4.480 3.726 3.651 3.804 . 0 0 "[ . ]" 1
192 2 10 DA H1' 2 10 DA H8 3.720 2.980 4.460 3.485 3.425 3.556 . 0 0 "[ . ]" 1
193 2 10 DA H3' 2 10 DA H8 4.620 3.700 5.540 5.016 4.880 5.196 . 0 0 "[ . ]" 1
194 2 10 DA H1' 2 10 DA H3' 3.430 2.740 4.120 3.938 3.881 3.970 . 0 0 "[ . ]" 1
195 2 10 DA H4' 2 10 DA Q5' 2.410 . 2.890 2.218 2.179 2.236 . 0 0 "[ . ]" 1
196 2 10 DA H1' 2 10 DA Q5' 4.430 3.540 5.300 4.324 4.287 4.344 . 0 0 "[ . ]" 1
197 2 10 DA H3' 2 10 DA Q5' 2.720 2.180 3.260 2.748 2.707 2.775 . 0 0 "[ . ]" 1
198 2 10 DA H4' 2 10 DA H8 3.250 2.050 4.450 4.508 4.464 4.553 0.103 2 0 "[ . ]" 1
199 2 10 DA H3' 2 10 DA H4' 2.630 2.100 3.160 2.891 2.866 2.909 . 0 0 "[ . ]" 1
200 2 10 DA Q2' 2 10 DA H3' 2.480 2.050 2.980 2.195 2.187 2.219 . 0 0 "[ . ]" 1
201 2 10 DA H1' 2 10 DA H4' 3.310 2.650 3.970 3.189 3.101 3.309 . 0 0 "[ . ]" 1
202 2 10 DA Q5' 2 11 DG H8 4.030 3.750 4.840 4.515 4.187 4.806 . 0 0 "[ . ]" 1
203 2 11 DG H4' 2 11 DG H8 4.790 3.830 5.750 5.286 4.933 5.463 . 0 0 "[ . ]" 1
204 2 11 DG H3' 2 11 DG H8 4.340 2.790 5.890 6.006 5.940 6.035 0.145 5 0 "[ . ]" 1
205 2 11 DG H1' 2 11 DG H2'' 2.580 2.060 3.100 2.290 2.254 2.355 . 0 0 "[ . ]" 1
206 2 11 DG H2'' 2 11 DG H8 3.340 2.440 4.240 4.297 4.181 4.486 0.246 7 0 "[ . ]" 1
207 2 11 DG H1' 2 11 DG H3' 3.360 2.690 4.030 3.908 3.779 4.051 0.021 7 0 "[ . ]" 1
208 2 11 DG H1' 2 11 DG H2' 2.880 2.300 3.460 2.980 2.917 3.029 . 0 0 "[ . ]" 1
209 2 11 DG H2' 2 11 DG H8 3.890 3.110 4.670 4.465 4.410 4.617 . 0 0 "[ . ]" 1
210 2 11 DG H1' 2 11 DG H8 2.440 . 2.930 2.521 2.501 2.549 . 0 0 "[ . ]" 1
211 2 11 DG H8 2 12 DG H1' 4.180 3.340 5.020 3.982 3.795 4.310 . 0 0 "[ . ]" 1
212 2 11 DG H3' 2 12 DG H8 3.810 2.610 5.010 4.818 4.578 5.104 0.094 1 0 "[ . ]" 1
213 2 11 DG H1' 2 12 DG H3' 3.900 3.120 4.680 4.723 4.385 4.908 0.228 3 0 "[ . ]" 1
214 2 11 DG H8 2 12 DG H3' 4.910 3.410 6.410 6.267 6.105 6.471 0.061 5 0 "[ . ]" 1
215 2 11 DG H1' 2 12 DG H8 3.760 3.010 4.510 4.127 3.851 4.371 . 0 0 "[ . ]" 1
216 2 11 DG H8 2 12 DG H4' 4.320 3.460 5.180 4.549 4.187 5.076 . 0 0 "[ . ]" 1
217 2 11 DG H2' 2 12 DG H8 3.110 2.490 3.730 3.290 3.019 4.007 0.277 5 0 "[ . ]" 1
218 2 12 DG H1' 2 12 DG H8 3.420 2.740 4.100 3.886 3.866 3.897 . 0 0 "[ . ]" 1
219 2 12 DG H3' 2 12 DG H4' 2.590 2.070 3.110 2.877 2.822 2.943 . 0 0 "[ . ]" 1
220 2 12 DG Q2' 2 12 DG H3' 2.360 . 2.830 2.154 2.142 2.163 . 0 0 "[ . ]" 1
221 2 12 DG H1' 2 12 DG H4' 2.850 2.280 3.420 3.136 2.945 3.273 . 0 0 "[ . ]" 1
222 2 12 DG H4' 2 12 DG H8 4.570 3.660 5.480 5.030 4.905 5.267 . 0 0 "[ . ]" 1
223 2 12 DG H1' 2 12 DG H3' 3.220 2.580 3.860 3.913 3.898 3.937 0.077 1 0 "[ . ]" 1
224 2 12 DG Q2' 2 12 DG H8 2.740 . 3.940 2.240 2.085 2.308 . 0 0 "[ . ]" 1
225 2 12 DG H3' 2 12 DG H8 3.440 2.750 4.130 3.829 3.677 3.961 . 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 37
_Distance_constraint_stats_list.Viol_count 84
_Distance_constraint_stats_list.Viol_total 2865.146
_Distance_constraint_stats_list.Viol_max 15.220
_Distance_constraint_stats_list.Viol_rms 3.3424
_Distance_constraint_stats_list.Viol_average_all_restraints 1.2099
_Distance_constraint_stats_list.Viol_average_violations_only 4.2636
_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
2 1 DA 203.513 15.220 8 8 [***-***+]
2 2 DA 151.244 9.607 5 8 [****+**-]
2 3 DG 0.000 0.000 . 0 "[ . ]"
2 4 DG 0.591 0.487 5 0 "[ . ]"
2 5 DT 81.060 6.715 1 8 [+******-]
2 6 DT 2.247 0.271 4 0 "[ . ]"
2 7 DT 276.488 15.220 8 8 [***-***+]
2 8 DT 0.005 0.005 5 0 "[ . ]"
2 9 DA 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 2 1 DA H2 2 7 DT M7 3.990 . 6.190 20.905 20.425 21.410 15.220 8 8 [******-+] 2
2 2 1 DA H8 2 7 DT M7 5.120 2.920 7.320 18.044 17.625 18.782 11.462 5 8 [***-+***] 2
3 2 2 DA H8 2 5 DT M7 4.020 2.720 5.320 11.480 10.881 12.035 6.715 1 8 [+*****-*] 2
4 2 2 DA H2 2 5 DT M7 5.800 2.800 8.800 12.518 12.236 12.864 4.064 4 8 [***+***-] 2
5 2 2 DA H8 2 7 DT M7 5.800 4.640 6.960 15.987 15.510 16.567 9.607 5 8 [***-+***] 2
6 2 3 DG H8 2 5 DT M7 5.800 4.640 6.960 6.372 6.119 6.623 . 0 0 "[ . ]" 2
7 2 4 DG H8 2 5 DT M7 3.760 2.760 4.760 2.965 2.809 3.272 . 0 0 "[ . ]" 2
8 2 4 DG H2'' 2 5 DT M7 3.790 3.030 4.550 3.600 3.449 3.718 . 0 0 "[ . ]" 2
9 2 4 DG H3' 2 5 DT M7 4.240 3.390 5.090 3.957 3.668 4.281 . 0 0 "[ . ]" 2
10 2 4 DG H1' 2 5 DT M7 4.380 3.500 5.260 4.594 4.457 4.829 . 0 0 "[ . ]" 2
11 2 4 DG H1' 2 7 DT M7 5.800 4.200 7.400 7.254 6.766 7.887 0.487 5 0 "[ . ]" 2
12 2 5 DT H6 2 5 DT M7 3.030 2.420 3.640 2.374 2.365 2.385 0.055 6 0 "[ . ]" 2
13 2 5 DT H1' 2 5 DT M7 5.800 4.640 6.960 5.167 5.161 5.177 . 0 0 "[ . ]" 2
14 2 5 DT H2'' 2 5 DT M7 5.180 4.140 6.220 5.175 5.045 5.278 . 0 0 "[ . ]" 2
15 2 5 DT H2' 2 5 DT M7 3.320 2.660 3.980 3.891 3.838 3.991 0.011 2 0 "[ . ]" 2
16 2 5 DT H1' 2 6 DT M7 3.900 2.900 4.900 3.548 2.760 4.336 0.140 8 0 "[ . ]" 2
17 2 5 DT H4' 2 6 DT M7 3.090 2.140 4.040 1.972 1.869 2.060 0.271 4 0 "[ . ]" 2
18 2 5 DT H6 2 6 DT M7 5.510 4.410 6.610 5.522 5.024 5.919 . 0 0 "[ . ]" 2
19 2 5 DT H6 2 7 DT M7 3.470 2.780 4.160 3.719 3.331 4.254 0.094 5 0 "[ . ]" 2
20 2 5 DT H1' 2 7 DT M7 4.150 3.320 4.980 4.101 3.827 4.632 . 0 0 "[ . ]" 2
21 2 5 DT M7 2 7 DT H6 5.800 4.640 6.960 5.982 5.710 6.256 . 0 0 "[ . ]" 2
22 2 5 DT H2' 2 7 DT M7 3.530 . 5.280 2.329 2.090 2.925 . 0 0 "[ . ]" 2
23 2 5 DT H2'' 2 7 DT M7 3.500 . 5.100 2.275 2.088 2.606 . 0 0 "[ . ]" 2
24 2 5 DT M7 2 7 DT M7 4.290 2.990 5.590 3.846 3.311 4.276 . 0 0 "[ . ]" 2
25 2 5 DT M7 2 9 DA H8 5.800 4.300 7.300 5.138 4.913 5.499 . 0 0 "[ . ]" 2
26 2 6 DT H6 2 6 DT M7 2.980 2.380 3.580 2.348 2.244 2.379 0.136 1 0 "[ . ]" 2
27 2 6 DT H1' 2 6 DT M7 4.940 3.950 5.930 5.157 5.129 5.173 . 0 0 "[ . ]" 2
28 2 6 DT H3' 2 6 DT M7 4.150 2.950 5.350 5.335 5.081 5.502 0.152 4 0 "[ . ]" 2
29 2 6 DT H1' 2 7 DT M7 5.520 4.420 6.620 6.194 5.852 6.551 . 0 0 "[ . ]" 2
30 2 6 DT H6 2 7 DT M7 5.800 4.640 6.960 5.680 5.251 6.181 . 0 0 "[ . ]" 2
31 2 6 DT H4' 2 7 DT M7 4.490 2.770 6.210 5.741 5.145 6.105 . 0 0 "[ . ]" 2
32 2 6 DT H3' 2 7 DT M7 3.540 2.340 4.740 3.348 2.663 3.769 . 0 0 "[ . ]" 2
33 2 6 DT H2'' 2 7 DT M7 3.920 2.820 5.020 4.378 4.196 4.708 . 0 0 "[ . ]" 2
34 2 7 DT H6 2 7 DT M7 3.000 2.400 3.600 2.391 2.384 2.402 0.016 6 0 "[ . ]" 2
35 2 8 DT H1' 2 8 DT M7 5.430 4.340 6.520 5.179 5.176 5.181 . 0 0 "[ . ]" 2
36 2 8 DT H6 2 8 DT M7 2.950 2.360 3.540 2.364 2.355 2.371 0.005 5 0 "[ . ]" 2
37 2 8 DT H2' 2 8 DT M7 4.450 3.560 5.340 3.932 3.913 3.960 . 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 40
_Distance_constraint_stats_list.Viol_count 162
_Distance_constraint_stats_list.Viol_total 4142.666
_Distance_constraint_stats_list.Viol_max 13.207
_Distance_constraint_stats_list.Viol_rms 2.8396
_Distance_constraint_stats_list.Viol_average_all_restraints 1.6182
_Distance_constraint_stats_list.Viol_average_violations_only 3.1965
_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
2 2 DA 188.695 13.207 1 8 [+***-***]
2 3 DG 118.249 4.174 7 8 [**-***+*]
2 4 DG 116.744 6.079 5 8 [****+*-*]
2 5 DT 69.412 7.542 5 8 [****+**-]
2 7 DT 188.695 13.207 1 8 [+***-***]
2 9 DA 68.470 2.722 5 8 [**-*+***]
2 10 DA 48.494 2.684 1 8 [+***-***]
2 11 DG 83.125 4.174 7 8 [**-***+*]
2 12 DG 149.804 7.542 5 8 [**-*+***]
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 2 5 DT H3 2 9 DA H8 2.500 . 3.600 2.305 2.138 2.498 . 0 0 "[ . ]" 3
2 2 4 DG H1 2 5 DT H3 3.500 2.500 4.500 3.297 2.966 3.897 . 0 0 "[ . ]" 3
3 2 5 DT H3 2 9 DA H1' 4.500 2.500 6.500 4.734 4.604 4.939 . 0 0 "[ . ]" 3
4 2 5 DT H3 2 7 DT H6 4.500 2.500 6.500 5.475 4.945 6.174 . 0 0 "[ . ]" 3
5 2 5 DT H1' 2 5 DT H3 4.500 3.500 5.500 4.440 4.390 4.480 . 0 0 "[ . ]" 3
6 2 5 DT H3 2 5 DT M7 4.500 3.500 5.500 4.139 4.134 4.144 . 0 0 "[ . ]" 3
7 2 5 DT H3 2 7 DT M7 4.500 2.500 6.500 5.347 4.829 6.019 . 0 0 "[ . ]" 3
8 2 5 DT H3 2 12 DG H8 4.500 2.500 6.500 13.453 12.668 14.042 7.542 5 8 [****+*-*] 3
9 2 2 DA H8 2 7 DT H3 2.500 . 3.500 15.859 15.471 16.707 13.207 1 8 [+*****-*] 3
10 2 2 DA Q6 2 7 DT H3 2.500 . 3.500 14.728 14.267 15.139 11.639 4 8 [***+-***] 3
11 2 5 DT M7 2 7 DT H3 3.500 . 5.500 3.247 2.889 3.683 . 0 0 "[ . ]" 3
12 2 7 DT H3 2 9 DA H8 4.500 3.500 5.500 4.232 3.921 4.504 . 0 0 "[ . ]" 3
13 2 7 DT H3 2 9 DA H1' 4.500 2.500 6.500 5.728 5.440 6.082 . 0 0 "[ . ]" 3
14 2 7 DT H3 2 7 DT M7 4.500 3.500 5.500 4.139 4.134 4.146 . 0 0 "[ . ]" 3
15 2 10 DA H8 2 12 DG H1 3.500 2.500 4.500 6.478 6.202 7.038 2.538 7 8 [*****-+*] 3
16 2 9 DA H1' 2 12 DG H1 3.500 2.500 4.500 6.667 6.201 7.193 2.693 2 8 [*+-*****] 3
17 2 11 DG H8 2 12 DG H1 4.500 3.500 5.500 5.682 4.381 6.228 0.728 6 2 "[ - .+ ]" 3
18 2 9 DA H8 2 12 DG H1 4.500 3.500 5.500 7.163 6.738 7.466 1.966 7 8 [**-***+*] 3
19 2 10 DA H1' 2 11 DG H1 2.500 . 4.000 3.317 2.861 3.512 . 0 0 "[ . ]" 3
20 2 11 DG H1 2 11 DG Q2 2.500 . 3.500 2.227 2.216 2.241 . 0 0 "[ . ]" 3
21 2 10 DA H8 2 11 DG H1 3.500 2.500 4.500 3.491 2.987 4.125 . 0 0 "[ . ]" 3
22 2 3 DG H1 2 11 DG H1 3.500 2.500 4.500 5.367 4.922 5.660 1.160 7 7 [****.*+-] 3
23 2 3 DG H8 2 11 DG H1 4.500 2.500 6.500 10.272 9.023 10.674 4.174 7 8 [****-*+*] 3
24 2 9 DA H1' 2 11 DG H1 4.500 3.500 5.500 5.121 4.804 5.714 0.214 8 0 "[ . ]" 3
25 2 10 DA Q2' 2 11 DG H1 4.500 3.500 5.500 4.884 4.585 5.043 . 0 0 "[ . ]" 3
26 2 4 DG H1 2 9 DA H8 2.500 . 4.000 3.350 2.890 4.041 0.041 7 0 "[ . ]" 3
27 2 4 DG H1 2 11 DG H1 2.500 . 4.000 6.118 5.082 6.503 2.503 6 8 [****-+**] 3
28 2 4 DG H1 2 12 DG H8 3.500 . 5.500 11.121 10.852 11.579 6.079 5 8 [****+*-*] 3
29 2 4 DG H1 2 9 DA H1' 3.500 . 5.500 4.976 4.316 5.415 . 0 0 "[ . ]" 3
30 2 4 DG H1 2 11 DG Q2 3.500 2.500 4.500 7.746 6.823 8.048 3.548 6 8 [****-+**] 3
31 2 4 DG H1 2 10 DA H8 4.500 2.500 6.500 6.200 5.163 6.634 0.134 6 0 "[ . ]" 3
32 2 4 DG H1 2 10 DA H1' 4.500 2.500 6.500 8.690 8.007 9.184 2.684 1 8 [+***-***] 3
33 2 4 DG H1 2 5 DT M7 4.500 2.500 6.500 5.572 4.908 5.988 . 0 0 "[ . ]" 3
34 2 3 DG H1 2 4 DG H1 4.500 3.500 5.500 5.871 5.469 6.330 0.830 5 2 "[- + ]" 3
35 2 3 DG H1 2 4 DG H8 3.500 . 5.500 6.507 6.150 6.877 1.377 6 8 [*****+-*] 3
36 2 3 DG H1 2 5 DT M7 3.500 . 5.500 7.223 6.621 7.692 2.192 6 8 [*****+*-] 3
37 2 3 DG H1 2 9 DA H8 4.500 3.500 5.500 7.988 7.438 8.222 2.722 5 8 [**-*+***] 3
38 2 3 DG H1 2 9 DA H1' 4.500 2.500 6.500 8.690 8.150 9.139 2.639 2 8 [*+-*****] 3
39 2 3 DG H1 2 3 DG H1' 4.500 2.500 6.500 6.997 6.980 7.015 0.515 5 4 "[ -*+ * ]" 3
40 2 3 DG H1 2 10 DA H1' 4.500 2.500 6.500 8.362 7.696 8.659 2.159 2 8 [*+**-***] 3
stop_
save_
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