NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577091 |
2mhz   |
19661 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhz
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 123
_Distance_constraint_stats_list.Viol_count 863
_Distance_constraint_stats_list.Viol_total 4047.796
_Distance_constraint_stats_list.Viol_max 1.881
_Distance_constraint_stats_list.Viol_rms 0.4205
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5142
_Distance_constraint_stats_list.Viol_average_violations_only 0.5863
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 40.760 1.467 5 8 [****+***]
1 2 DG 24.573 1.467 5 8 [****+***]
1 3 DG 41.602 1.219 3 8 [-*+*****]
1 4 DA 61.773 1.279 4 8 [-**+****]
1 5 DC 57.346 1.279 4 8 [*-*+****]
1 7 DA 15.768 0.678 3 8 [**+-****]
1 8 DG 35.026 1.272 2 8 [*+*-****]
1 9 DA 48.665 1.389 5 8 [****+-**]
1 10 DA 28.675 1.182 7 8 [*****-+*]
1 11 DG 20.940 1.182 7 8 [****-*+*]
2 1 DC 33.216 1.390 7 8 [******+*]
2 2 DT 63.918 1.827 5 8 [****+**-]
2 3 DT 50.649 1.881 8 8 [****-**+]
2 4 DC 39.759 1.881 8 8 [*******+]
2 5 DT 10.756 1.660 2 8 [-+******]
2 6 DT 16.899 1.660 2 8 [*+***-**]
2 7 DG 7.518 0.523 4 2 "[ +.- ]"
2 8 DT 22.520 1.034 2 8 [*+***-**]
2 9 DC 49.333 1.302 5 8 [****+***]
2 10 DC 29.356 1.302 5 8 [****+***]
2 11 DG 29.833 1.586 8 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 DC H1' 2 1 DC H6 . . 3.130 3.703 3.671 3.718 0.588 1 8 [+*****-*] 1
2 2 1 DC H1' 2 1 DC H3' . . 3.710 3.893 3.889 3.900 0.190 6 0 "[ . ]" 1
3 2 1 DC H3' 2 1 DC H6 . . 2.920 3.301 3.012 3.376 0.456 8 0 "[ . ]" 1
4 2 1 DC H1' 2 2 DT H6 . . 3.610 4.806 4.656 5.000 1.390 7 8 [******+-] 1
5 2 1 DC H6 2 2 DT H6 . . 4.500 5.313 5.195 5.440 0.940 3 8 [**+-****] 1
6 2 1 DC H3' 2 2 DT H6 . . 3.100 4.106 3.827 4.227 1.127 8 8 [******-+] 1
7 2 2 DT H1' 2 2 DT H6 . . 2.940 3.746 3.740 3.751 0.811 3 8 [**+***-*] 1
8 2 2 DT H1' 2 2 DT H3' . . 3.170 3.842 3.826 3.861 0.691 1 8 [+******-] 1
9 2 2 DT H3' 2 2 DT H6 . . 2.930 4.016 3.938 4.065 1.135 8 8 [-******+] 1
10 2 2 DT H1' 2 3 DT H6 . . 3.180 4.044 3.885 4.161 0.981 8 8 [*****-*+] 1
11 2 2 DT H6 2 3 DT H6 . . 3.270 4.817 4.544 5.097 1.827 5 8 [*-**+***] 1
12 2 3 DT H1' 2 3 DT H6 . . 3.110 3.754 3.748 3.759 0.649 2 8 [*+**-***] 1
13 2 3 DT H1' 2 3 DT H3' . . 3.360 3.788 3.766 3.815 0.455 5 0 "[ . ]" 1
14 2 3 DT H1' 2 3 DT H2'' . . 2.150 2.375 2.365 2.387 0.237 8 0 "[ . ]" 1
15 2 3 DT H1' 2 4 DC H6 . . 2.890 3.869 3.762 3.983 1.093 6 8 [*****+-*] 1
16 2 4 DC H1' 2 4 DC H6 . . 3.150 3.738 3.732 3.748 0.598 5 8 [****+**-] 1
17 2 3 DT H3' 2 4 DC H5 . . 4.450 6.095 5.783 6.331 1.881 8 8 [****-**+] 1
18 2 4 DC H1' 2 4 DC H3' . . 3.700 3.826 3.816 3.835 0.135 2 0 "[ . ]" 1
19 2 4 DC H3' 2 4 DC H6 . . 3.240 3.986 3.920 4.034 0.794 7 8 [-*****+*] 1
20 2 4 DC H1' 2 4 DC Q2' . . 2.180 2.272 2.261 2.278 0.098 6 0 "[ . ]" 1
21 2 4 DC Q2' 2 4 DC H6 . . 1.740 2.495 2.396 2.574 0.834 7 8 [*****-+*] 1
22 2 4 DC Q2' 2 4 DC H3' . . 2.150 2.189 2.186 2.193 0.043 6 0 "[ . ]" 1
23 2 5 DT H1' 2 6 DT H6 . . 2.970 4.315 4.145 4.630 1.660 2 8 [-+******] 1
24 2 6 DT H1' 2 6 DT H6 . . 3.540 3.758 3.754 3.761 0.221 5 0 "[ . ]" 1
25 2 6 DT H1' 2 6 DT Q2' . . 2.370 2.296 2.283 2.310 . 0 0 "[ . ]" 1
26 2 6 DT Q2' 2 6 DT H6 . . 1.970 2.160 2.111 2.195 0.225 1 0 "[ . ]" 1
27 2 6 DT H1' 2 7 DG H8 . . 3.530 3.842 3.613 4.053 0.523 4 2 "[ +.- ]" 1
28 2 6 DT Q2' 2 7 DG H8 . . 2.410 2.431 2.255 2.624 0.214 2 0 "[ . ]" 1
29 2 7 DG H1' 2 7 DG H3' . . 3.630 3.938 3.916 3.955 0.325 5 0 "[ . ]" 1
30 2 7 DG H1' 2 7 DG Q2' . . 2.120 2.242 2.233 2.251 0.131 1 0 "[ . ]" 1
31 2 7 DG Q2' 2 7 DG H3' . . 2.050 2.199 2.195 2.204 0.154 1 0 "[ . ]" 1
32 2 7 DG Q2' 2 8 DT H6 . . 2.580 2.259 2.214 2.294 . 0 0 "[ . ]" 1
33 2 8 DT H1' 2 8 DT H6 . . 3.010 3.750 3.748 3.753 0.743 5 8 [****+-**] 1
34 2 8 DT H1' 2 9 DC H5 . . 4.100 5.069 4.997 5.134 1.034 2 8 [-+******] 1
35 2 8 DT H6 2 9 DC H5 . . 3.510 3.767 3.703 3.922 0.412 1 0 "[ . ]" 1
36 2 8 DT Q2' 2 9 DC H5 . . 2.540 3.390 3.342 3.427 0.887 4 8 [***+***-] 1
37 2 9 DC H1' 2 9 DC H3' . . 3.510 3.750 3.740 3.760 0.250 7 0 "[ . ]" 1
38 2 9 DC H1' 2 9 DC Q2' . . 1.800 2.320 2.318 2.325 0.525 6 8 [*****+-*] 1
39 2 9 DC Q2' 2 9 DC H5 . . 3.540 4.276 4.260 4.301 0.761 3 8 [**+*-***] 1
40 2 9 DC Q2' 2 9 DC H3' . . 2.220 2.206 2.202 2.210 . 0 0 "[ . ]" 1
41 2 9 DC H1' 2 10 DC H6 . . 3.260 3.501 3.449 3.567 0.307 2 0 "[ . ]" 1
42 2 9 DC Q2' 2 10 DC H6 . . 2.200 2.232 2.197 2.306 0.106 3 0 "[ . ]" 1
43 2 9 DC H1' 2 10 DC H5 . . 3.340 4.548 4.414 4.642 1.302 5 8 [****+-**] 1
44 2 9 DC Q2' 2 10 DC H5 . . 2.750 3.211 3.078 3.340 0.590 3 3 "[ *+ - ]" 1
45 2 10 DC Q2' 2 10 DC H3' . . 2.220 2.214 2.209 2.222 0.002 6 0 "[ . ]" 1
46 2 10 DC H1' 2 10 DC H3' . . 3.670 3.787 3.768 3.803 0.133 7 0 "[ . ]" 1
47 2 10 DC H1' 2 10 DC Q2' . . 2.330 2.306 2.301 2.312 . 0 0 "[ . ]" 1
48 2 10 DC Q2' 2 10 DC H5 . . 3.100 4.347 4.313 4.379 1.279 2 8 [*+*-****] 1
49 2 10 DC H1' 2 11 DG H8 . . 3.750 4.112 4.004 4.199 0.449 6 0 "[ . ]" 1
50 2 10 DC H6 2 11 DG H8 . . 5.400 5.289 5.207 5.407 0.007 2 0 "[ . ]" 1
51 2 10 DC Q2' 2 11 DG H8 . . 2.750 2.576 2.500 2.664 . 0 0 "[ . ]" 1
52 2 11 DG H1' 2 11 DG H8 . . 3.150 3.907 3.905 3.911 0.761 8 8 [****-**+] 1
53 2 11 DG H1' 2 11 DG H3' . . 3.320 3.772 3.755 3.791 0.471 2 0 "[ . ]" 1
54 2 11 DG H3' 2 11 DG H8 . . 2.940 4.480 4.444 4.526 1.586 8 8 [*-*****+] 1
55 2 11 DG H1' 2 11 DG Q2' . . 1.700 2.317 2.312 2.322 0.622 6 8 [*-***+**] 1
56 1 1 DC H1' 1 1 DC H6 . . 2.710 3.754 3.744 3.760 1.050 4 8 [***+*-**] 1
57 1 1 DC H1' 1 1 DC H3' . . 3.690 3.833 3.809 3.856 0.166 1 0 "[ . ]" 1
58 1 1 DC H3' 1 1 DC H6 . . 3.240 4.087 3.986 4.166 0.926 5 8 [-***+***] 1
59 1 1 DC H1' 1 1 DC Q2' . . 1.780 2.279 2.272 2.292 0.512 2 2 "[ + - ]" 1
60 1 1 DC Q2' 1 1 DC H5 . . 3.340 4.260 4.226 4.325 0.985 2 8 [-+******] 1
61 1 1 DC Q2' 1 1 DC H3' . . 2.050 2.209 2.194 2.220 0.170 3 0 "[ . ]" 1
62 1 1 DC H1' 1 2 DG H8 . . 3.800 3.887 3.736 4.190 0.390 2 0 "[ . ]" 1
63 1 1 DC H6 1 2 DG H8 . . 4.340 4.377 4.287 4.563 0.223 6 0 "[ . ]" 1
64 1 1 DC H3' 1 2 DG H8 . . 3.580 4.918 4.780 5.047 1.467 5 8 [-***+***] 1
65 1 1 DC Q2' 1 2 DG H8 . . 2.440 2.347 2.194 2.419 . 0 0 "[ . ]" 1
66 1 2 DG H1' 1 2 DG H8 . . 3.320 3.919 3.910 3.923 0.603 7 8 [-*****+*] 1
67 1 2 DG H1' 1 2 DG H3' . . 3.360 3.759 3.749 3.779 0.419 1 0 "[ . ]" 1
68 1 2 DG H1' 1 3 DG H8 . . 3.150 3.739 3.685 3.806 0.656 7 8 [****-*+*] 1
69 1 3 DG H1' 1 3 DG H8 . . 3.080 3.887 3.882 3.894 0.814 1 8 [+*****-*] 1
70 1 3 DG H1' 1 3 DG H3' . . 3.480 3.832 3.818 3.851 0.371 3 0 "[ . ]" 1
71 1 3 DG H3' 1 3 DG H8 . . 3.270 4.411 4.344 4.448 1.178 1 8 [+*-*****] 1
72 1 3 DG H1' 1 3 DG Q2' . . 1.930 2.293 2.280 2.300 0.370 1 0 "[ . ]" 1
73 1 3 DG H1' 1 4 DA H8 . . 3.000 4.162 4.051 4.219 1.219 3 8 [-*+*****] 1
74 1 3 DG H8 1 4 DA H8 . . 4.270 4.864 4.732 4.979 0.709 8 7 "[-** ***+]" 1
75 1 3 DG Q2' 1 4 DA H8 . . 2.150 2.341 2.312 2.392 0.242 4 0 "[ . ]" 1
76 1 4 DA H1' 1 4 DA H8 . . 3.550 3.911 3.909 3.916 0.366 8 0 "[ . ]" 1
77 1 4 DA H1' 1 4 DA H3' . . 3.540 3.820 3.816 3.823 0.283 2 0 "[ . ]" 1
78 1 4 DA Q2' 1 4 DA H8 . . 1.940 2.539 2.461 2.605 0.665 4 8 [***+***-] 1
79 1 4 DA H1' 1 4 DA Q2' . . 2.240 2.298 2.294 2.301 0.061 8 0 "[ . ]" 1
80 1 4 DA H2 1 5 DC H1' . . 3.930 4.991 4.907 5.056 1.126 3 8 [**+***-*] 1
81 1 4 DA H1' 1 5 DC H6 . . 3.400 4.377 4.306 4.433 1.033 4 8 [*-*+****] 1
82 1 4 DA H8 1 5 DC H6 . . 3.470 4.593 4.505 4.749 1.279 4 8 [***+***-] 1
83 1 4 DA H3' 1 5 DC H6 . . 4.780 4.753 4.710 4.864 0.084 8 0 "[ . ]" 1
84 1 4 DA Q2' 1 5 DC H6 . . 2.220 2.389 2.340 2.443 0.223 8 0 "[ . ]" 1
85 1 5 DC H1' 1 5 DC H6 . . 3.360 3.754 3.750 3.757 0.397 8 0 "[ . ]" 1
86 1 4 DA H8 1 5 DC H5 . . 3.520 3.704 3.610 3.824 0.304 4 0 "[ . ]" 1
87 1 4 DA Q2' 1 5 DC H5 . . 3.200 3.417 3.320 3.539 0.339 8 0 "[ . ]" 1
88 1 5 DC H1' 1 5 DC H3' . . 3.260 3.651 3.639 3.660 0.400 6 0 "[ . ]" 1
89 1 5 DC H3' 1 5 DC H6 . . 3.270 4.464 4.449 4.489 1.219 8 8 [*****-*+] 1
90 1 5 DC H1' 1 5 DC Q2' . . 2.410 2.332 2.327 2.336 . 0 0 "[ . ]" 1
91 1 5 DC Q2' 1 5 DC H6 . . 1.920 2.145 2.134 2.158 0.238 7 0 "[ . ]" 1
92 1 5 DC Q2' 1 5 DC H5 . . 3.070 4.292 4.280 4.309 1.239 7 8 [****-*+*] 1
93 1 5 DC Q2' 1 5 DC H3' . . 2.250 2.231 2.228 2.235 . 0 0 "[ . ]" 1
94 1 7 DA H1' 1 7 DA H3' . . 3.150 3.813 3.794 3.828 0.678 3 8 [**+**-**] 1
95 1 7 DA H2' 1 7 DA H8 . . 2.080 2.301 2.266 2.345 0.265 5 0 "[ . ]" 1
96 1 7 DA H1' 1 7 DA H2'' . . 1.910 2.380 2.373 2.393 0.483 6 0 "[ . ]" 1
97 1 7 DA H1' 1 8 DG H8 . . 3.070 3.518 3.414 3.607 0.537 2 2 "[ + -. ]" 1
98 1 7 DA H8 1 8 DG H8 . . 4.360 4.524 4.321 4.751 0.391 5 0 "[ . ]" 1
99 1 8 DG H1' 1 8 DG H8 . . 3.310 3.908 3.904 3.911 0.601 7 8 [**-***+*] 1
100 1 8 DG H1' 1 8 DG H3' . . 3.250 3.793 3.775 3.812 0.562 3 8 [*-+*****] 1
101 1 8 DG H1' 1 8 DG H2'' . . 2.340 2.395 2.386 2.407 0.067 2 0 "[ . ]" 1
102 1 8 DG H1' 1 9 DA H8 . . 3.120 3.735 3.639 3.818 0.698 2 8 [*+-*****] 1
103 1 8 DG H8 1 9 DA H8 . . 4.000 4.798 4.588 4.936 0.936 8 8 [******-+] 1
104 1 8 DG H3' 1 9 DA H8 . . 4.070 5.154 5.017 5.342 1.272 2 8 [*+-*****] 1
105 1 8 DG H2'' 1 9 DA H8 . . 2.390 2.448 2.320 2.624 0.234 2 0 "[ . ]" 1
106 1 9 DA H1' 1 9 DA H8 . . 3.080 3.905 3.895 3.912 0.832 6 8 [***-*+**] 1
107 1 9 DA H1' 1 9 DA H3' . . 3.300 3.823 3.757 3.853 0.553 4 7 [-**+.***] 1
108 1 9 DA H3' 1 9 DA H8 . . 3.120 4.381 4.312 4.509 1.389 5 8 [***-+***] 1
109 1 9 DA H1' 1 9 DA Q2' . . 2.410 2.300 2.281 2.314 . 0 0 "[ . ]" 1
110 1 9 DA Q2' 1 9 DA H8 . . 2.280 2.522 2.350 2.696 0.416 4 0 "[ . ]" 1
111 1 9 DA H1' 1 10 DA H8 . . 3.240 3.907 3.746 4.075 0.835 4 8 [***+*-**] 1
112 1 10 DA H1' 1 10 DA H8 . . 3.130 3.900 3.805 3.916 0.786 4 8 [***+-***] 1
113 1 10 DA H1' 1 10 DA H3' . . 3.610 3.813 3.778 3.834 0.224 8 0 "[ . ]" 1
114 1 10 DA H1' 1 10 DA H2'' . . 1.900 2.381 2.372 2.388 0.488 7 0 "[ . ]" 1
115 1 10 DA H8 1 11 DG H8 . . 4.080 4.545 4.322 5.094 1.014 5 1 "[ + ]" 1
116 1 10 DA H3' 1 11 DG H8 . . 3.980 4.978 4.259 5.162 1.182 7 7 [****.-+*] 1
117 1 10 DA H2'' 1 11 DG H8 . . 2.820 2.467 2.354 2.587 . 0 0 "[ . ]" 1
118 1 11 DG H1' 1 11 DG H3' . . 3.300 3.736 3.717 3.749 0.449 3 0 "[ . ]" 1
119 1 11 DG H2'' 1 11 DG H3' . . 2.500 2.751 2.742 2.762 0.262 8 0 "[ . ]" 1
120 1 11 DG H2' 1 11 DG H3' . . 1.880 2.346 2.338 2.364 0.484 5 0 "[ . ]" 1
121 1 4 DA H2 2 9 DC H1' . . 3.560 4.214 4.118 4.300 0.740 5 8 [*-**+***] 1
122 1 4 DA H1' 1 4 DA H2 . . 4.400 4.481 4.472 4.486 0.086 1 0 "[ . ]" 1
123 1 7 DA H2 1 8 DG H1' . . 4.840 4.637 4.577 4.670 . 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 42
_Distance_constraint_stats_list.Viol_count 336
_Distance_constraint_stats_list.Viol_total 269.653
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0547
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1003
_Distance_constraint_stats_list.Viol_average_violations_only 0.1003
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 3.257 0.113 5 0 "[ . ]"
1 2 DG 2.772 0.094 8 0 "[ . ]"
1 3 DG 3.027 0.089 3 0 "[ . ]"
1 4 DA 3.332 0.202 5 0 "[ . ]"
1 5 DC 3.962 0.138 8 0 "[ . ]"
1 7 DA 3.456 0.222 4 0 "[ . ]"
1 8 DG 2.801 0.089 8 0 "[ . ]"
1 9 DA 3.731 0.241 7 0 "[ . ]"
1 10 DA 3.653 0.240 5 0 "[ . ]"
1 11 DG 3.715 0.140 7 0 "[ . ]"
2 1 DC 3.715 0.140 7 0 "[ . ]"
2 2 DT 3.653 0.240 5 0 "[ . ]"
2 3 DT 3.731 0.241 7 0 "[ . ]"
2 4 DC 2.801 0.089 8 0 "[ . ]"
2 5 DT 3.456 0.222 4 0 "[ . ]"
2 7 DG 3.962 0.138 8 0 "[ . ]"
2 8 DT 3.332 0.202 5 0 "[ . ]"
2 9 DC 3.027 0.089 3 0 "[ . ]"
2 10 DC 2.772 0.094 8 0 "[ . ]"
2 11 DG 3.257 0.113 5 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 11 DG O6 2 1 DC H42 . . 1.800 1.913 1.897 1.939 0.139 7 0 "[ . ]" 2
2 1 11 DG H1 2 1 DC N3 . . 1.840 1.924 1.918 1.935 0.095 2 0 "[ . ]" 2
3 1 11 DG N1 2 1 DC N3 . . 2.850 2.922 2.915 2.938 0.088 7 0 "[ . ]" 2
4 1 11 DG O6 2 1 DC N4 . . 2.810 2.924 2.909 2.950 0.140 7 0 "[ . ]" 2
5 1 11 DG H22 2 1 DC O2 . . 1.750 1.832 1.800 1.853 0.103 2 0 "[ . ]" 2
6 1 10 DA N1 2 2 DT H3 . . 1.710 1.931 1.918 1.950 0.240 5 0 "[ . ]" 2
7 1 10 DA N1 2 2 DT N3 . . 2.720 2.931 2.915 2.957 0.237 5 0 "[ . ]" 2
8 1 10 DA H61 2 2 DT O4 . . 1.840 1.864 1.846 1.875 0.035 4 0 "[ . ]" 2
9 1 9 DA N1 2 3 DT H3 . . 1.710 1.927 1.913 1.951 0.241 7 0 "[ . ]" 2
10 1 9 DA N1 2 3 DT N3 . . 2.720 2.919 2.905 2.939 0.219 1 0 "[ . ]" 2
11 1 9 DA H61 2 3 DT O4 . . 1.840 1.890 1.867 1.935 0.095 2 0 "[ . ]" 2
12 1 8 DG O6 2 4 DC H42 . . 1.800 1.861 1.845 1.880 0.080 4 0 "[ . ]" 2
13 1 8 DG H1 2 4 DC N3 . . 1.840 1.922 1.914 1.929 0.089 8 0 "[ . ]" 2
14 1 8 DG N1 2 4 DC N3 . . 2.850 2.920 2.913 2.926 0.076 4 0 "[ . ]" 2
15 1 8 DG O6 2 4 DC N4 . . 2.810 2.873 2.858 2.892 0.082 4 0 "[ . ]" 2
16 1 8 DG H22 2 4 DC O2 . . 1.750 1.824 1.811 1.833 0.083 6 0 "[ . ]" 2
17 1 7 DA N1 2 5 DT H3 . . 1.710 1.906 1.893 1.932 0.222 4 0 "[ . ]" 2
18 1 7 DA N1 2 5 DT N3 . . 2.720 2.905 2.891 2.926 0.206 4 0 "[ . ]" 2
19 1 7 DA H61 2 5 DT O4 . . 1.840 1.891 1.857 1.920 0.080 5 0 "[ . ]" 2
20 1 5 DC N3 2 7 DG H1 . . 1.840 1.953 1.944 1.962 0.122 8 0 "[ . ]" 2
21 1 5 DC O2 2 7 DG H22 . . 1.750 1.818 1.807 1.834 0.084 5 0 "[ . ]" 2
22 1 5 DC N3 2 7 DG N1 . . 2.850 2.946 2.941 2.952 0.102 8 0 "[ . ]" 2
23 1 5 DC H42 2 7 DG O6 . . 1.800 1.912 1.884 1.938 0.138 8 0 "[ . ]" 2
24 1 5 DC N4 2 7 DG O6 . . 2.810 2.916 2.890 2.938 0.128 8 0 "[ . ]" 2
25 1 4 DA N1 2 8 DT H3 . . 1.710 1.906 1.900 1.912 0.202 5 0 "[ . ]" 2
26 1 4 DA N1 2 8 DT N3 . . 2.720 2.913 2.906 2.920 0.200 5 0 "[ . ]" 2
27 1 4 DA H61 2 8 DT O4 . . 1.840 1.868 1.856 1.885 0.045 4 0 "[ . ]" 2
28 1 3 DG O6 2 9 DC H42 . . 1.800 1.875 1.866 1.882 0.082 2 0 "[ . ]" 2
29 1 3 DG H1 2 9 DC N3 . . 1.840 1.924 1.917 1.929 0.089 3 0 "[ . ]" 2
30 1 3 DG N1 2 9 DC N3 . . 2.850 2.922 2.916 2.926 0.076 1 0 "[ . ]" 2
31 1 3 DG O6 2 9 DC N4 . . 2.810 2.887 2.879 2.894 0.084 2 0 "[ . ]" 2
32 1 3 DG H22 2 9 DC O2 . . 1.750 1.820 1.812 1.826 0.076 6 0 "[ . ]" 2
33 1 2 DG O6 2 10 DC H42 . . 1.800 1.879 1.867 1.892 0.092 8 0 "[ . ]" 2
34 1 2 DG H1 2 10 DC N3 . . 1.840 1.917 1.911 1.923 0.083 1 0 "[ . ]" 2
35 1 2 DG N1 2 10 DC N3 . . 2.850 2.918 2.914 2.922 0.072 3 0 "[ . ]" 2
36 1 2 DG O6 2 10 DC N4 . . 2.810 2.891 2.879 2.904 0.094 8 0 "[ . ]" 2
37 1 2 DG H22 2 10 DC O2 . . 1.750 1.792 1.774 1.808 0.058 1 0 "[ . ]" 2
38 1 1 DC N3 2 11 DG H1 . . 1.840 1.940 1.934 1.951 0.111 7 0 "[ . ]" 2
39 1 1 DC O2 2 11 DG H22 . . 1.750 1.848 1.842 1.863 0.113 5 0 "[ . ]" 2
40 1 1 DC N3 2 11 DG N1 . . 2.850 2.937 2.930 2.950 0.100 5 0 "[ . ]" 2
41 1 1 DC H42 2 11 DG O6 . . 1.800 1.860 1.854 1.868 0.068 2 0 "[ . ]" 2
42 1 1 DC N4 2 11 DG O6 . . 2.810 2.872 2.867 2.879 0.069 2 0 "[ . ]" 2
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