NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604351 |
5b81   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5b81
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 282
_Distance_constraint_stats_list.Viol_count 5625
_Distance_constraint_stats_list.Viol_total 170829.344
_Distance_constraint_stats_list.Viol_max 3.745
_Distance_constraint_stats_list.Viol_rms 0.7743
_Distance_constraint_stats_list.Viol_average_all_restraints 1.5144
_Distance_constraint_stats_list.Viol_average_violations_only 1.5185
_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 264.817 3.744 1 20 [+*******-***********]
1 2 DC 345.887 3.744 1 20 [+****************-**]
1 3 DG 361.149 3.509 6 20 [*****+********-*****]
1 4 DC 374.974 3.509 6 20 [*****+**********-***]
1 5 DA 469.052 3.745 5 20 [****+-**************]
1 6 DT 347.483 3.745 5 20 [****+********-******]
1 7 DG 379.990 3.030 11 20 [**********+*****-***]
1 8 DC 245.885 2.602 2 20 [*+*****************-]
1 9 DG 357.613 3.655 9 20 [********+***********]
1 10 DC 403.472 3.655 9 20 [********+****-******]
1 11 DT 373.291 2.982 3 20 [**+*******-*********]
1 12 DA 327.784 2.754 14 20 [**-**********+******]
1 13 DC 365.755 3.399 20 20 [**-****************+]
1 14 DG 408.036 3.399 20 20 [****************-**+]
1 15 DC 440.029 3.346 14 20 [**********-**+******]
1 16 DG 288.002 3.346 14 20 [*********-***+******]
2 1 DC 215.890 2.581 10 20 [*********+***-******]
2 2 DG 295.774 2.816 17 20 [*-**************+***]
2 3 DC 299.115 2.816 17 20 [**********-*****+***]
2 4 DG 330.306 2.846 11 20 [*-********+*********]
2 5 DT 269.201 2.373 20 20 [************-******+]
2 6 DA 227.461 2.508 12 20 [*******-***+********]
2 7 DC 266.309 2.619 9 20 [********+*****-*****]
2 8 DG 288.258 2.777 5 20 [****+***-***********]
2 9 DC 319.436 2.571 16 20 [********-******+****]
2 10 DG 300.444 2.951 20 20 [**-****************+]
2 11 DA 274.544 2.666 1 20 [+*******************]
2 12 DT 327.808 2.352 18 20 [*********-*******+**]
2 13 DG 335.995 2.845 18 20 [********-********+**]
2 14 DC 257.111 2.614 16 20 [**-************+****]
2 15 DG 255.361 2.800 12 20 [******-****+********]
2 16 DC 203.443 2.589 9 20 [********+********-**]
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 H8 . . 1.800 3.580 3.399 3.799 1.999 15 20 [**************+***-*] 1
2 1 1 DG Q2' 1 1 DG H8 . . 1.800 4.025 3.576 4.281 2.481 5 20 [*-**+***************] 1
3 1 1 DG H3' 1 1 DG H8 . . 1.800 3.522 2.673 4.268 2.468 19 20 [*-****************+*] 1
4 1 1 DG H4' 1 1 DG H8 . . 1.800 4.228 4.009 4.425 2.625 5 20 [****+********-******] 1
5 1 1 DG Q5' 1 1 DG H8 . . 1.800 3.264 2.899 3.783 1.983 13 20 [************+-******] 1
6 1 1 DG H1' 1 1 DG Q2' . . 1.800 2.216 2.053 2.343 0.543 20 4 "[ * . -1 *. +]" 1
7 1 1 DG H1' 1 2 DC H6 . . 1.800 5.005 4.482 5.544 3.744 1 20 [+**-****************] 1
8 1 2 DC H1' 1 2 DC H6 . . 1.800 3.656 3.525 3.802 2.002 10 20 [******-**+**********] 1
9 1 2 DC H3' 1 2 DC H6 . . 2.000 3.414 2.912 3.935 1.935 2 20 [*+****-*************] 1
10 1 2 DC H4' 1 2 DC H6 . . 1.800 4.228 4.046 4.429 2.629 10 20 [******-**+**********] 1
11 1 2 DC Q5' 1 2 DC H6 . . 1.800 3.199 2.807 3.476 1.676 10 20 [*********+********-*] 1
12 1 2 DC Q2' 1 2 DC H6 . . 1.800 2.659 2.221 3.082 1.282 18 19 "[*****-****** ****+**]" 1
13 1 2 DC H1' 1 2 DC Q2' . . 1.800 1.992 1.803 2.215 0.415 6 0 "[ . 1 . 2]" 1
14 1 2 DC H5 1 2 DC H6 . . 1.800 2.472 2.346 2.616 0.816 5 20 [****+************-**] 1
15 1 2 DC H1' 1 3 DG H8 . . 1.800 3.968 3.587 4.250 2.450 3 20 [**+*********-*******] 1
16 1 2 DC Q2' 1 2 DC H4' . . 2.000 3.346 3.123 3.571 1.571 4 20 [***+***-************] 1
17 1 2 DC Q2' 1 2 DC Q5' . . 2.000 3.755 3.513 3.935 1.935 8 20 [*****-*+************] 1
18 1 3 DG H1' 1 3 DG H8 . . 1.800 3.813 3.732 3.912 2.112 19 20 [***-**************+*] 1
19 1 3 DG Q2' 1 3 DG H8 . . 1.800 2.614 2.234 3.011 1.211 20 18 "[****. ********-****+]" 1
20 1 3 DG H3' 1 3 DG H8 . . 1.800 3.471 2.831 4.033 2.233 9 20 [********+**********-] 1
21 1 3 DG H4' 1 3 DG H8 . . 1.800 4.444 4.221 4.641 2.841 12 20 [******-****+********] 1
22 1 3 DG Q5' 1 3 DG H8 . . 1.800 3.345 3.137 3.803 2.003 13 20 [************+-******] 1
23 1 3 DG H1' 1 3 DG Q2' . . 1.800 1.989 1.818 2.172 0.372 6 0 "[ . 1 . 2]" 1
24 1 3 DG Q2' 1 3 DG Q5' . . 2.000 3.766 3.421 3.927 1.927 20 20 [********-**********+] 1
25 1 3 DG H1' 1 4 DC H6 . . 1.800 3.884 3.370 4.198 2.398 1 20 [+****-**************] 1
26 1 4 DC H1' 1 4 DC H6 . . 1.800 3.635 3.486 3.779 1.979 20 20 [*************-*****+] 1
27 1 4 DC Q2' 1 4 DC H6 . . 1.800 2.538 2.283 2.721 0.921 12 19 "[*-*********+**** ***]" 1
28 1 4 DC H3' 1 4 DC H6 . . 2.000 2.680 2.235 3.210 1.210 10 11 "[** ** *+* * .*- *]" 1
29 1 4 DC H4' 1 4 DC H6 . . 1.800 4.240 4.082 4.405 2.605 1 20 [+************-******] 1
30 1 4 DC Q5' 1 4 DC H6 . . 1.800 3.797 3.472 3.934 2.134 13 20 [************+*****-*] 1
31 1 4 DC H1' 1 4 DC Q2' . . 2.000 1.955 1.754 2.123 0.123 17 0 "[ . 1 . 2]" 1
32 1 4 DC H5 1 4 DC H6 . . 1.800 2.493 2.378 2.629 0.829 2 20 [*+**************-***] 1
33 1 4 DC H1' 1 5 DA H8 . . 1.800 4.064 3.827 4.344 2.544 16 20 [**********-****+****] 1
34 1 3 DG H8 1 4 DC H6 . . 1.800 4.963 4.547 5.309 3.509 6 20 [*****+******-*******] 1
35 1 4 DC H6 1 5 DA H8 . . 1.800 4.637 4.231 5.032 3.232 9 20 [********+*******-***] 1
36 1 5 DA H1' 1 5 DA H8 . . 1.800 3.795 3.695 3.919 2.119 18 20 [***-*************+**] 1
37 1 5 DA Q2' 1 5 DA H8 . . 1.800 2.253 2.034 2.505 0.705 5 9 "[ * +- 1** *. * **]" 1
38 1 5 DA H3' 1 5 DA H8 . . 2.000 4.244 3.946 4.446 2.446 14 20 [***********-*+******] 1
39 1 5 DA H4' 1 5 DA H8 . . 2.000 4.582 4.459 4.695 2.695 3 20 [**+***-*************] 1
40 1 5 DA Q5' 1 5 DA H8 . . 2.000 3.635 3.388 3.849 1.849 17 20 [*********-******+***] 1
41 1 5 DA H1' 1 5 DA Q2' . . 1.800 2.181 2.006 2.371 0.571 8 3 "[ . + 1* . - 2]" 1
42 1 5 DA Q2' 1 5 DA H4' . . 1.800 3.467 3.387 3.526 1.726 10 20 [*********+*******-**] 1
43 1 5 DA Q2' 1 5 DA Q5' . . 1.800 3.298 3.102 3.508 1.708 5 20 [****+-**************] 1
44 1 5 DA H8 1 6 DT M7 . . 1.800 3.046 2.795 3.266 1.466 10 20 [*******-*+**********] 1
45 1 5 DA H1' 1 6 DT H6 . . 1.800 3.089 2.797 3.297 1.497 17 20 [*-**************+***] 1
46 1 6 DT H6 1 6 DT M7 . . 2.000 2.316 2.128 2.482 0.482 1 0 "[ . 1 . 2]" 1
47 1 6 DT H3' 1 6 DT H6 . . 1.800 3.758 3.495 4.135 2.335 2 20 [*+********-*********] 1
48 1 6 DT H4' 1 6 DT H6 . . 2.000 4.071 3.937 4.215 2.215 16 20 [*******-*******+****] 1
49 1 6 DT Q5' 1 6 DT H6 . . 2.000 2.724 1.918 3.278 1.278 13 16 "[** -****** *+** ** *]" 1
50 1 6 DT M7 1 7 DG H8 . . 1.800 2.822 2.707 2.985 1.185 5 20 [****+*****-*********] 1
51 1 6 DT H1' 1 6 DT H6 . . 1.800 3.545 3.471 3.648 1.848 17 20 [*******-********+***] 1
52 1 6 DT Q2' 1 6 DT H6 . . 1.800 2.027 1.879 2.226 0.426 6 0 "[ . 1 . 2]" 1
53 1 6 DT H1' 1 6 DT Q2' . . 1.800 2.223 2.081 2.332 0.532 3 3 "[ +*. 1 -. 2]" 1
54 1 5 DA H8 1 6 DT H6 . . 1.800 5.161 4.635 5.545 3.745 5 20 [*-**+***************] 1
55 1 6 DT H6 1 7 DG H8 . . 1.800 3.257 2.938 3.600 1.800 3 20 [**+*-***************] 1
56 1 6 DT H1' 1 7 DG H8 . . 1.800 3.329 3.126 3.534 1.734 1 20 [+******-************] 1
57 1 7 DG H1' 1 7 DG H8 . . 1.800 3.842 3.706 3.969 2.169 11 20 [********-*+*********] 1
58 1 7 DG Q2' 1 7 DG H8 . . 1.800 2.488 2.304 2.827 1.027 7 20 [******+*********-***] 1
59 1 7 DG H3' 1 7 DG H8 . . 1.800 3.985 3.644 4.266 2.466 16 20 [********-******+****] 1
60 1 7 DG H4' 1 7 DG H8 . . 1.800 4.658 4.525 4.830 3.030 11 20 [**********+**-******] 1
61 1 7 DG Q5' 1 7 DG H8 . . 1.800 4.214 3.859 4.390 2.590 15 20 [***-**********+*****] 1
62 1 7 DG H1' 1 7 DG Q2' . . 1.800 2.254 2.141 2.454 0.654 4 5 "[** +.- 1 * . 2]" 1
63 1 7 DG Q2' 1 7 DG H4' . . 2.000 3.134 2.962 3.323 1.323 9 20 [**-*****+***********] 1
64 1 7 DG Q2' 1 7 DG Q5' . . 2.000 3.843 3.669 3.955 1.955 3 20 [**+-****************] 1
65 1 7 DG H1' 1 8 DC H6 . . 1.800 3.173 2.992 3.386 1.586 7 20 [******+************-] 1
66 1 8 DC H5 1 8 DC H6 . . 1.800 2.530 2.416 2.662 0.862 1 20 [+******************-] 1
67 1 8 DC H1' 1 8 DC H6 . . 1.700 3.646 3.481 3.775 2.075 6 20 [*****+*-************] 1
68 1 8 DC H3' 1 8 DC H6 . . 2.000 2.944 2.631 3.161 1.161 17 20 [******-*********+***] 1
69 1 8 DC H4' 1 8 DC H6 . . 1.800 4.287 4.169 4.402 2.602 2 20 [*+*********-********] 1
70 1 8 DC Q5' 1 8 DC H6 . . 1.800 3.890 3.660 4.064 2.264 1 20 [+**********-********] 1
71 1 8 DC H1' 1 9 DG H8 . . 1.800 3.320 3.008 3.513 1.713 11 20 [*****-****+*********] 1
72 1 8 DC H1' 1 8 DC Q2' . . 1.800 1.995 1.857 2.116 0.316 9 0 "[ . 1 . 2]" 1
73 1 8 DC Q2' 1 8 DC H6 . . 1.800 2.808 2.523 3.007 1.207 17 20 [************-***+***] 1
74 1 9 DG H1' 1 9 DG H8 . . 1.800 3.738 3.587 3.868 2.068 7 20 [******+************-] 1
75 1 9 DG Q2' 1 9 DG H8 . . 1.800 2.346 2.127 2.709 0.909 19 11 "[* *. * *1 **** * +-]" 1
76 1 9 DG H3' 1 9 DG H8 . . 1.800 4.188 3.866 4.384 2.584 15 20 [***-**********+*****] 1
77 1 9 DG H4' 1 9 DG H8 . . 1.800 4.558 4.350 4.718 2.918 13 20 [**-*********+*******] 1
78 1 9 DG Q5' 1 9 DG H8 . . 1.800 3.991 3.740 4.379 2.579 7 20 [**-***+*************] 1
79 1 9 DG H1' 1 9 DG Q2' . . 1.800 2.178 1.978 2.301 0.501 9 1 "[ . +1 . 2]" 1
80 1 9 DG Q2' 1 9 DG H4' . . 1.800 3.367 3.241 3.507 1.707 13 20 [***********-+*******] 1
81 1 9 DG H1' 1 10 DC H6 . . 1.800 3.049 2.778 3.266 1.466 12 20 [****-******+********] 1
82 1 10 DC H1' 1 10 DC H6 . . 1.800 3.633 3.462 3.779 1.979 8 20 [***-***+************] 1
83 1 10 DC Q2' 1 10 DC H6 . . 1.800 2.244 2.060 2.413 0.613 13 8 "[* ** *1 *+-. * 2]" 1
84 1 10 DC H1' 1 10 DC Q2' . . 1.800 2.304 2.124 2.505 0.705 12 11 "[ * * * * +- *****2]" 1
85 1 10 DC H3' 1 10 DC H6 . . 2.000 3.977 3.682 4.180 2.180 18 20 [*********-*******+**] 1
86 1 10 DC H4' 1 10 DC H6 . . 1.800 4.249 4.095 4.370 2.570 15 20 [******-*******+*****] 1
87 1 10 DC Q5' 1 10 DC H6 . . 1.800 3.424 3.145 3.923 2.123 15 20 [******-*******+*****] 1
88 1 10 DC Q2' 1 10 DC Q5' . . 1.800 3.439 3.274 3.590 1.790 20 20 [***-***************+] 1
89 1 10 DC H5 1 10 DC H6 . . 1.800 2.482 2.398 2.585 0.785 4 20 [***+********-*******] 1
90 1 9 DG H8 1 10 DC H6 . . 1.800 5.144 4.788 5.455 3.655 9 20 [********+**********-] 1
91 1 10 DC H1' 1 11 DT H6 . . 1.200 3.537 3.051 4.001 2.801 10 20 [-********+**********] 1
92 1 10 DC H6 1 11 DT M7 . . 1.800 3.889 3.112 4.782 2.982 3 20 [**+***************-*] 1
93 1 11 DT H6 1 11 DT M7 . . 1.500 2.313 2.151 2.472 0.972 1 20 [+**********-********] 1
94 1 11 DT M7 1 12 DA H8 . . 1.800 3.194 3.020 3.314 1.514 1 20 [+*******-***********] 1
95 1 11 DT H1' 1 11 DT H6 . . 1.800 3.539 3.408 3.679 1.879 9 20 [**-*****+***********] 1
96 1 11 DT Q2' 1 11 DT H6 . . 1.500 2.081 1.871 2.246 0.746 10 17 "[*** *** *+-** ******]" 1
97 1 11 DT H3' 1 11 DT H6 . . 1.800 3.483 2.983 3.849 2.049 16 20 [***************+***-] 1
98 1 11 DT H4' 1 11 DT H6 . . 2.000 4.094 3.925 4.463 2.463 8 20 [-******+************] 1
99 1 11 DT Q5' 1 11 DT H6 . . 2.000 2.962 2.179 3.289 1.289 4 18 "[***+************ - *]" 1
100 1 11 DT H1' 1 11 DT Q2' . . 1.800 2.048 1.914 2.222 0.422 15 0 "[ . 1 . 2]" 1
101 1 11 DT Q2' 1 11 DT H4' . . 1.800 3.487 3.324 3.641 1.841 8 20 [*-*****+************] 1
102 1 11 DT Q2' 1 11 DT Q5' . . 2.000 3.564 3.216 3.789 1.789 7 20 [******+***********-*] 1
103 1 11 DT H1' 1 12 DA H8 . . 1.800 3.274 3.059 3.583 1.783 9 20 [********+*******-***] 1
104 1 12 DA H1' 1 12 DA H8 . . 1.800 3.825 3.715 3.915 2.115 7 20 [******+**********-**] 1
105 1 12 DA Q2' 1 12 DA H8 . . 1.800 2.616 2.281 2.893 1.093 9 19 "[********+- *********]" 1
106 1 12 DA H3' 1 12 DA H8 . . 2.000 4.424 4.117 4.645 2.645 5 20 [****+****-**********] 1
107 1 12 DA H4' 1 12 DA H8 . . 2.000 4.636 4.443 4.754 2.754 14 20 [*****-*******+******] 1
108 1 12 DA Q5' 1 12 DA H8 . . 2.000 4.063 3.824 4.274 2.274 13 20 [*****-******+*******] 1
109 1 12 DA H1' 1 12 DA Q2' . . 1.800 2.335 2.209 2.506 0.706 13 12 "[**- . * *** + .****2]" 1
110 1 12 DA Q2' 1 12 DA Q5' . . 2.000 3.714 3.516 3.811 1.811 13 20 [******-*****+*******] 1
111 1 12 DA H1' 1 13 DC H6 . . 1.800 3.110 3.004 3.302 1.502 18 20 [*****************+*-] 1
112 1 13 DC H1' 1 13 DC H6 . . 1.800 3.636 3.512 3.744 1.944 3 20 [**+**************-**] 1
113 1 13 DC Q2' 1 13 DC H6 . . 1.800 2.348 2.096 2.696 0.896 9 12 "[* *** **+1 * - * **]" 1
114 1 13 DC H1' 1 13 DC Q2' . . 1.800 2.248 2.052 2.391 0.591 15 8 "[ *- . *** *+ *]" 1
115 1 13 DC Q2' 1 13 DC H4' . . 2.000 3.495 3.409 3.592 1.592 5 20 [****+**********-****] 1
116 1 13 DC Q2' 1 13 DC Q5' . . 2.000 3.429 3.236 3.679 1.679 19 20 [******************+-] 1
117 1 13 DC H3' 1 13 DC H6 . . 2.000 3.957 3.711 4.148 2.148 20 20 [******************-+] 1
118 1 13 DC H4' 1 13 DC H6 . . 1.800 4.230 4.035 4.362 2.562 14 20 [********-****+******] 1
119 1 13 DC Q5' 1 13 DC H6 . . 1.800 3.150 2.718 3.721 1.921 15 20 [**-***********+*****] 1
120 1 13 DC H5 1 13 DC H6 . . 1.800 2.489 2.350 2.578 0.778 5 20 [****+*******-*******] 1
121 1 13 DC H1' 1 14 DG H8 . . 1.800 3.472 2.812 3.951 2.151 9 20 [********+*******-***] 1
122 1 13 DC H6 1 14 DG H8 . . 1.800 4.924 4.308 5.199 3.399 20 20 [**********-********+] 1
123 1 14 DG H1' 1 14 DG H8 . . 1.800 3.771 3.608 3.859 2.059 14 20 [****-********+******] 1
124 1 14 DG Q2' 1 14 DG H8 . . 1.500 2.232 2.019 2.473 0.973 19 20 [***********-******+*] 1
125 1 14 DG H3' 1 14 DG H8 . . 1.800 4.082 3.897 4.302 2.502 15 20 [**-***********+*****] 1
126 1 14 DG H4' 1 14 DG H8 . . 1.800 4.542 4.360 4.661 2.861 3 20 [*-+*****************] 1
127 1 14 DG Q5' 1 14 DG H8 . . 1.800 3.814 3.250 4.210 2.410 4 20 [***+************-***] 1
128 1 14 DG H1' 1 14 DG Q2' . . 1.800 2.339 2.214 2.479 0.679 5 13 "[* *+** ** *** -* *]" 1
129 1 14 DG Q2' 1 14 DG Q5' . . 2.500 3.527 3.325 3.714 1.214 9 20 [********+***-*******] 1
130 1 14 DG H1' 1 15 DC H6 . . 1.800 2.995 2.693 3.311 1.511 4 20 [***+**********-*****] 1
131 1 15 DC H1' 1 15 DC H6 . . 1.800 3.647 3.537 3.730 1.930 13 20 [************+**-****] 1
132 1 15 DC H3' 1 15 DC H6 . . 2.000 4.024 3.768 4.275 2.275 15 20 [*****-********+*****] 1
133 1 15 DC H4' 1 15 DC H6 . . 1.800 4.280 4.125 4.361 2.561 5 20 [-***+***************] 1
134 1 15 DC Q5' 1 15 DC H6 . . 1.800 3.498 2.859 3.872 2.072 9 20 [********+*********-*] 1
135 1 15 DC Q2' 1 15 DC H6 . . 1.800 2.400 2.084 2.743 0.943 13 13 "[*** * *-*+ *****2]" 1
136 1 15 DC H1' 1 15 DC Q2' . . 1.800 2.285 2.116 2.477 0.677 9 9 "[* * . *+1* *** -]" 1
137 1 15 DC Q2' 1 15 DC H4' . . 2.000 3.464 3.332 3.595 1.595 7 20 [***-**+*************] 1
138 1 15 DC Q2' 1 15 DC Q5' . . 2.000 3.569 3.290 3.809 1.809 17 20 [*************-**+***] 1
139 1 15 DC H5 1 15 DC H6 . . 1.800 2.519 2.359 2.617 0.817 16 20 [**************-+****] 1
140 1 14 DG H8 1 15 DC H6 . . 1.800 4.904 4.515 5.103 3.303 20 20 [****************-**+] 1
141 1 15 DC H6 1 16 DG H8 . . 1.800 4.859 4.158 5.146 3.346 14 20 [*******-*****+******] 1
142 1 15 DC H1' 1 16 DG H8 . . 1.800 3.558 3.011 3.917 2.117 12 20 [***********+*-******] 1
143 1 16 DG H1' 1 16 DG H8 . . 1.800 3.785 3.652 3.946 2.146 15 20 [****-*********+*****] 1
144 1 16 DG H3' 1 16 DG H8 . . 1.800 3.165 2.258 4.324 2.524 8 19 [*******+**-***.*****] 1
145 1 16 DG H4' 1 16 DG H8 . . 1.800 4.345 3.929 4.495 2.695 13 20 [************+-******] 1
146 1 16 DG Q5' 1 16 DG H8 . . 1.800 3.805 3.011 4.155 2.355 18 20 [*************-***+**] 1
147 1 16 DG Q2' 1 16 DG H8 . . 1.800 3.087 2.501 3.496 1.696 16 20 [****-**********+****] 1
148 1 16 DG H1' 1 16 DG Q2' . . 1.800 2.196 2.027 2.428 0.628 5 4 "[ +* - * . 2]" 1
149 2 1 DC H1' 2 1 DC H6 . . 1.800 3.677 3.533 3.924 2.124 13 20 [************+**-****] 1
150 2 1 DC Q2' 2 1 DC H6 . . 1.800 2.571 2.232 2.927 1.127 13 18 "[*** **** ***+-******]" 1
151 2 1 DC H1' 2 1 DC Q2' . . 1.800 2.202 1.972 2.354 0.554 12 3 "[ * . -1 + . 2]" 1
152 2 1 DC H3' 2 1 DC H6 . . 2.000 3.496 2.340 4.249 2.249 2 18 "[*+**.* -************]" 1
153 2 1 DC H4' 2 1 DC H6 . . 1.800 4.190 3.968 4.381 2.581 10 20 [*********+********-*] 1
154 2 1 DC Q5' 2 1 DC H6 . . 1.800 3.417 2.808 3.888 2.088 5 20 [****+***********-***] 1
155 2 1 DC H5 2 1 DC H6 . . 1.800 2.474 2.348 2.614 0.814 16 20 [***********-***+****] 1
156 2 1 DC H1' 2 2 DG H8 . . 1.800 3.367 2.953 4.033 2.233 5 20 [-***+***************] 1
157 2 2 DG H1' 2 2 DG H8 . . 1.800 3.760 3.620 3.876 2.076 4 20 [***+**-*************] 1
158 2 2 DG H1' 2 2 DG Q2' . . 1.800 2.215 1.973 2.389 0.589 15 5 "[*- . 1 +* *2]" 1
159 2 2 DG H3' 2 2 DG H8 . . 1.800 4.099 3.845 4.328 2.528 14 20 [*******-*****+******] 1
160 2 2 DG H4' 2 2 DG H8 . . 1.800 4.452 4.271 4.581 2.781 3 20 [**+*************-***] 1
161 2 2 DG Q5' 2 2 DG H8 . . 1.800 3.415 3.069 3.825 2.025 8 20 [**-****+************] 1
162 2 2 DG Q2' 2 2 DG H8 . . 1.800 2.358 2.065 2.809 1.009 4 8 "[ *+. **1 * . ** -]" 1
163 2 2 DG H1' 2 3 DC H6 . . 1.800 3.016 2.521 3.592 1.792 8 20 [*******+**********-*] 1
164 2 2 DG H8 2 3 DC H6 . . 2.500 5.008 4.574 5.316 2.816 17 20 [**************-*+***] 1
165 2 3 DC H1' 2 3 DC H6 . . 1.800 3.633 3.414 3.786 1.986 10 20 [*****-***+**********] 1
166 2 3 DC Q2' 2 3 DC H6 . . 1.800 2.376 2.123 2.711 0.911 4 14 "[***+. ****- *** **2]" 1
167 2 3 DC H3' 2 3 DC H6 . . 2.000 3.999 3.818 4.145 2.145 19 20 [****-*************+*] 1
168 2 3 DC H4' 2 3 DC H6 . . 1.800 4.258 4.084 4.442 2.642 15 20 [********-*****+*****] 1
169 2 3 DC Q5' 2 3 DC H6 . . 1.800 3.417 3.068 3.912 2.112 3 20 [**+******-**********] 1
170 2 3 DC H1' 2 3 DC Q2' . . 1.800 2.240 2.066 2.354 0.554 13 4 "[ * 1* + . - 2]" 1
171 2 3 DC H5 2 3 DC H6 . . 1.800 2.469 2.366 2.599 0.799 6 20 [*****+***********-**] 1
172 2 3 DC H1' 2 4 DG H8 . . 1.800 3.440 3.167 3.722 1.922 11 20 [*******-**+*********] 1
173 2 4 DG H1' 2 4 DG H8 . . 1.800 3.790 3.672 3.956 2.156 1 20 [+**-****************] 1
174 2 4 DG Q2' 2 4 DG H8 . . 1.800 2.214 2.043 2.456 0.656 9 5 "[*- *. * +1 . 2]" 1
175 2 4 DG H1' 2 4 DG Q2' . . 1.800 2.275 1.998 2.458 0.658 8 8 "[ * +*1 -* .*** 2]" 1
176 2 4 DG H3' 2 4 DG H8 . . 1.800 4.032 3.635 4.326 2.526 14 20 [*********-***+******] 1
177 2 4 DG H4' 2 4 DG H8 . . 1.800 4.481 4.375 4.646 2.846 11 20 [*********-+*********] 1
178 2 4 DG Q5' 2 4 DG H8 . . 1.800 3.387 3.078 3.666 1.866 11 20 [*********-+*********] 1
179 2 4 DG Q2' 2 4 DG H4' . . 1.800 3.471 3.390 3.554 1.754 10 20 [*********+*******-**] 1
180 2 4 DG Q2' 2 4 DG Q5' . . 2.000 3.385 3.160 3.506 1.506 3 20 [**+***********-*****] 1
181 2 4 DG H8 2 5 DT M7 . . 1.800 2.610 2.489 2.840 1.040 7 20 [****-*+*************] 1
182 2 4 DG H1' 2 5 DT H6 . . 1.800 3.429 3.054 3.618 1.818 19 20 [**************-***+*] 1
183 2 5 DT H6 2 5 DT M7 . . 1.800 2.329 2.089 2.501 0.701 4 11 "[* +.** 1 *- .*****]" 1
184 2 5 DT H1' 2 5 DT H6 . . 1.800 3.602 3.485 3.716 1.916 13 20 [*-**********+*******] 1
185 2 5 DT Q2' 2 5 DT H6 . . 1.800 2.305 2.045 2.536 0.736 15 11 "[ * ** * * ***+ - *]" 1
186 2 5 DT H3' 2 5 DT H6 . . 1.800 3.967 3.795 4.173 2.373 20 20 [***********-*******+] 1
187 2 5 DT H4' 2 5 DT H6 . . 2.000 3.965 3.810 4.086 2.086 19 20 [******-***********+*] 1
188 2 5 DT Q5' 2 5 DT H6 . . 2.000 2.193 2.004 2.400 0.400 5 0 "[ . 1 . 2]" 1
189 2 5 DT H1' 2 5 DT Q2' . . 1.800 2.252 2.141 2.403 0.603 8 4 "[ *- + 1 . *2]" 1
190 2 5 DT Q2' 2 5 DT H4' . . 1.800 3.491 3.315 3.575 1.775 10 20 [**-******+**********] 1
191 2 5 DT Q2' 2 5 DT Q5' . . 1.800 2.428 2.111 2.790 0.990 14 13 "[ -** **** +*** **]" 1
192 2 5 DT H1' 2 6 DA H8 . . 1.800 2.889 2.688 3.147 1.347 17 20 [****-***********+***] 1
193 2 6 DA H1' 2 6 DA H8 . . 1.800 3.822 3.709 3.921 2.121 16 20 [*******-*******+****] 1
194 2 6 DA H3' 2 6 DA H8 . . 2.000 2.695 2.335 3.086 1.086 20 17 "[*** ***-******. ***+]" 1
195 2 6 DA H4' 2 6 DA H8 . . 2.000 4.246 4.039 4.508 2.508 12 20 [***********+*-******] 1
196 2 6 DA Q5' 2 6 DA H8 . . 2.000 3.524 3.175 3.865 1.865 18 20 [*******-*********+**] 1
197 2 6 DA Q2' 2 6 DA H8 . . 1.800 3.485 3.314 3.654 1.854 5 20 [****+*****-*********] 1
198 2 6 DA H1' 2 6 DA Q2' . . 1.800 2.055 1.949 2.173 0.373 5 0 "[ . 1 . 2]" 1
199 2 6 DA H1' 2 7 DC H6 . . 1.800 3.657 3.278 3.907 2.107 19 20 [***-**************+*] 1
200 2 7 DC H1' 2 7 DC H6 . . 1.600 3.660 3.544 3.758 2.158 18 20 [***********-*****+**] 1
201 2 7 DC Q2' 2 7 DC H6 . . 1.800 2.430 2.154 2.655 0.855 2 17 "[ +-******* ********]" 1
202 2 7 DC H3' 2 7 DC H6 . . 2.000 4.117 3.933 4.269 2.269 4 20 [***+******-*********] 1
203 2 7 DC H4' 2 7 DC H6 . . 1.800 4.224 3.960 4.419 2.619 9 20 [*******-+***********] 1
204 2 7 DC Q5' 2 7 DC H6 . . 1.800 3.266 2.635 3.873 2.073 9 20 [*******-+***********] 1
205 2 7 DC H1' 2 7 DC Q2' . . 1.800 2.276 2.157 2.408 0.608 2 8 "[*+ * 1 * *-* * 2]" 1
206 2 7 DC H5 2 7 DC H6 . . 1.800 2.489 2.366 2.627 0.827 10 20 [*********+********-*] 1
207 2 7 DC H1' 2 8 DG H8 . . 1.800 3.398 2.842 3.904 2.104 2 20 [*+****************-*] 1
208 2 8 DG H1' 2 8 DG H8 . . 1.800 3.809 3.714 4.018 2.218 9 20 [*-******+***********] 1
209 2 8 DG H3' 2 8 DG H8 . . 1.800 4.105 3.872 4.341 2.541 2 20 [*+************-*****] 1
210 2 8 DG H4' 2 8 DG H8 . . 1.800 4.471 4.392 4.577 2.777 5 20 [****+**************-] 1
211 2 8 DG Q5' 2 8 DG H8 . . 1.800 3.499 3.020 3.879 2.079 2 20 [*+**************-***] 1
212 2 8 DG Q2' 2 8 DG H8 . . 1.800 2.384 2.136 2.612 0.812 7 14 "[****.*+ -* **** * *]" 1
213 2 8 DG H1' 2 8 DG Q2' . . 1.800 2.269 2.092 2.444 0.644 11 7 "[ * . * -+** . *]" 1
214 2 8 DG Q2' 2 8 DG Q5' . . 1.800 3.452 3.149 3.749 1.949 20 20 [****-**************+] 1
215 2 8 DG H1' 2 9 DC H6 . . 1.800 3.226 2.657 3.573 1.773 19 20 [*********-********+*] 1
216 2 9 DC H1' 2 9 DC H6 . . 1.800 3.658 3.526 3.758 1.958 16 20 [*****-*********+****] 1
217 2 9 DC Q2' 2 9 DC H6 . . 1.800 2.282 2.031 2.466 0.666 18 9 "[* * . *-** *. + *]" 1
218 2 9 DC H3' 2 9 DC H6 . . 2.000 3.781 3.465 4.115 2.115 17 20 [*-**************+***] 1
219 2 9 DC H4' 2 9 DC H6 . . 1.800 4.245 4.026 4.371 2.571 16 20 [*********-*****+****] 1
220 2 9 DC Q5' 2 9 DC H6 . . 1.800 3.394 3.071 3.855 2.055 17 20 [*********-******+***] 1
221 2 9 DC H1' 2 9 DC Q2' . . 1.800 2.253 2.022 2.472 0.672 17 6 "[ . * ***- + 2]" 1
222 2 9 DC Q2' 2 9 DC H4' . . 1.800 3.439 3.302 3.570 1.770 10 20 [*********+******-***] 1
223 2 9 DC Q2' 2 9 DC Q5' . . 2.000 3.582 3.408 3.785 1.785 18 20 [****************-+**] 1
224 2 9 DC H5 2 9 DC H6 . . 1.800 2.497 2.310 2.650 0.850 6 20 [*****+*********-****] 1
225 2 9 DC H1' 2 10 DG H8 . . 1.800 3.814 3.393 4.152 2.352 5 20 [****+*********-*****] 1
226 2 10 DG H1' 2 10 DG H8 . . 1.800 3.746 3.587 3.880 2.080 2 20 [*+****************-*] 1
227 2 10 DG H3' 2 10 DG H8 . . 1.800 4.189 3.946 4.361 2.561 3 20 [**+**********-******] 1
228 2 10 DG H4' 2 10 DG H8 . . 1.800 4.586 4.352 4.751 2.951 20 20 [***-***************+] 1
229 2 10 DG Q5' 2 10 DG H8 . . 1.800 3.984 3.624 4.277 2.477 20 20 [***-***************+] 1
230 2 10 DG Q2' 2 10 DG H8 . . 1.800 2.171 1.980 2.391 0.591 4 3 "[ +. 1 .-* 2]" 1
231 2 10 DG H1' 2 10 DG Q2' . . 1.800 2.334 2.126 2.421 0.621 2 17 "[*+-******1****** * *]" 1
232 2 10 DG Q2' 2 10 DG Q5' . . 2.000 3.495 3.260 3.688 1.688 16 20 [****-**********+****] 1
233 2 10 DG H1' 2 11 DA H8 . . 1.800 3.103 2.557 3.423 1.623 18 20 [*****************+-*] 1
234 2 11 DA H1' 2 11 DA H8 . . 1.800 3.810 3.723 3.944 2.144 20 20 [********-**********+] 1
235 2 11 DA H3' 2 11 DA H8 . . 2.000 4.377 4.025 4.665 2.665 13 20 [*********-**+*******] 1
236 2 11 DA H4' 2 11 DA H8 . . 2.000 4.526 4.434 4.666 2.666 1 20 [+******-************] 1
237 2 11 DA Q5' 2 11 DA H8 . . 2.000 3.409 2.945 4.009 2.009 5 20 [****+*********-*****] 1
238 2 11 DA Q2' 2 11 DA H8 . . 1.800 2.568 2.209 2.894 1.094 13 19 "[** *********+**-****]" 1
239 2 11 DA H8 2 12 DT M7 . . 1.800 3.410 2.952 3.714 1.914 6 20 [*****+*********-****] 1
240 2 11 DA H1' 2 11 DA Q2' . . 1.800 2.136 1.977 2.303 0.503 1 1 "[+ . 1 . 2]" 1
241 2 11 DA H1' 2 12 DT H6 . . 1.800 3.190 2.898 3.332 1.532 20 20 [******************-+] 1
242 2 12 DT H1' 2 12 DT H6 . . 1.800 3.603 3.500 3.752 1.952 16 20 [***********-***+****] 1
243 2 12 DT H6 2 12 DT M7 . . 1.800 2.394 2.235 2.605 0.805 17 17 "[******* *-******+ *2]" 1
244 2 12 DT H3' 2 12 DT H6 . . 1.800 3.807 3.337 4.152 2.352 18 20 [*******-*********+**] 1
245 2 12 DT H4' 2 12 DT H6 . . 2.000 3.997 3.877 4.200 2.200 13 20 [************+*****-*] 1
246 2 12 DT Q5' 2 12 DT H6 . . 2.000 3.083 2.683 3.571 1.571 20 20 [******-************+] 1
247 2 12 DT Q2' 2 12 DT H6 . . 1.800 2.422 2.069 2.687 0.887 7 16 "[* *** +-******** **]" 1
248 2 12 DT H1' 2 12 DT Q2' . . 1.800 2.190 2.016 2.358 0.558 10 2 "[ . + . -]" 1
249 2 12 DT Q2' 2 12 DT H4' . . 2.000 3.428 3.257 3.570 1.570 14 20 [****-********+******] 1
250 2 12 DT Q2' 2 12 DT Q5' . . 2.000 3.580 3.246 3.817 1.817 14 20 [*****-*******+******] 1
251 2 12 DT H1' 2 13 DG H8 . . 1.800 3.686 3.290 4.019 2.219 11 20 [*-********+*********] 1
252 2 13 DG H1' 2 13 DG H8 . . 1.800 3.738 3.639 3.829 2.029 10 20 [**-******+**********] 1
253 2 13 DG H1' 2 14 DC H6 . . 1.800 3.363 2.952 3.682 1.882 19 20 [*-****************+*] 1
254 2 13 DG H1' 2 13 DG Q2' . . 1.800 2.341 2.214 2.471 0.671 5 15 "[ ***+***-**** *** 2]" 1
255 2 13 DG H3' 2 13 DG H8 . . 1.800 4.080 3.656 4.333 2.533 6 20 [*****+***-**********] 1
256 2 13 DG H4' 2 13 DG H8 . . 1.800 4.526 4.397 4.645 2.845 18 20 [****-************+**] 1
257 2 13 DG Q5' 2 13 DG H8 . . 1.800 3.906 2.992 4.208 2.408 7 20 [******+**-**********] 1
258 2 13 DG Q2' 2 13 DG H4' . . 1.800 3.336 2.898 3.553 1.753 2 20 [*+****************-*] 1
259 2 13 DG Q2' 2 13 DG Q5' . . 2.000 3.678 3.414 3.903 1.903 19 20 [*********-********+*] 1
260 2 13 DG Q2' 2 13 DG H8 . . 1.800 2.346 2.089 2.841 1.041 6 8 "[ *+* 1* -* **2]" 1
261 2 14 DC H1' 2 14 DC H6 . . 1.800 3.649 3.522 3.776 1.976 15 20 [*********-****+*****] 1
262 2 14 DC Q2' 2 14 DC H6 . . 1.800 2.658 2.081 3.139 1.339 13 18 "[** -******* +*******]" 1
263 2 14 DC H3' 2 14 DC H6 . . 2.000 3.443 2.873 4.158 2.158 5 20 [****+***********-***] 1
264 2 14 DC H4' 2 14 DC H6 . . 1.800 4.220 4.039 4.414 2.614 16 20 [******-********+****] 1
265 2 14 DC Q5' 2 14 DC H6 . . 1.800 3.616 3.181 4.043 2.243 20 20 [******-************+] 1
266 2 14 DC H1' 2 14 DC Q2' . . 1.800 2.059 1.921 2.301 0.501 3 1 "[ + . 1 . 2]" 1
267 2 14 DC H5 2 14 DC H6 . . 1.800 2.463 2.258 2.572 0.772 12 19 [*****-*****+**.*****] 1
268 2 14 DC H1' 2 15 DG H8 . . 1.800 3.784 3.350 4.111 2.311 20 20 [***-***************+] 1
269 2 15 DG H1' 2 15 DG H8 . . 1.800 3.784 3.664 3.962 2.162 18 20 [**********-******+**] 1
270 2 15 DG Q2' 2 15 DG H8 . . 1.800 2.282 2.026 2.494 0.694 16 9 "[ * ** * 1 * .+*-*2]" 1
271 2 15 DG H3' 2 15 DG H8 . . 1.800 4.109 3.776 4.330 2.530 17 20 [**********-*****+***] 1
272 2 15 DG H4' 2 15 DG H8 . . 1.800 4.483 4.360 4.600 2.800 12 20 [***-*******+********] 1
273 2 15 DG Q5' 2 15 DG H8 . . 1.800 3.492 2.909 3.854 2.054 12 20 [***********+-*******] 1
274 2 15 DG H1' 2 15 DG Q2' . . 1.800 2.241 2.078 2.475 0.675 14 6 "[ * * - 1 +. * *2]" 1
275 2 15 DG H1' 2 16 DC H6 . . 1.800 2.992 2.609 3.327 1.527 3 20 [**+***********-*****] 1
276 2 16 DC H1' 2 16 DC H6 . . 1.800 3.652 3.525 3.775 1.975 6 20 [*-***+**************] 1
277 2 16 DC H3' 2 16 DC H6 . . 2.000 2.630 2.155 3.552 1.552 9 12 "[ * **+* *****- *2]" 1
278 2 16 DC H4' 2 16 DC H6 . . 1.800 4.137 3.934 4.389 2.589 9 20 [*****-**+***********] 1
279 2 16 DC Q5' 2 16 DC H6 . . 1.800 3.566 3.283 3.891 2.091 9 20 [********+****-******] 1
280 2 16 DC Q2' 2 16 DC H6 . . 1.800 3.159 2.673 3.512 1.712 12 20 [*********-*+********] 1
281 2 16 DC H1' 2 16 DC Q2' . . 1.800 2.173 2.012 2.306 0.506 18 1 "[ . 1 . + 2]" 1
282 2 16 DC H5 2 16 DC H6 . . 1.800 2.462 2.394 2.613 0.813 1 20 [+****************-**] 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 56
_Distance_constraint_stats_list.Viol_count 1038
_Distance_constraint_stats_list.Viol_total 9215.408
_Distance_constraint_stats_list.Viol_max 2.640
_Distance_constraint_stats_list.Viol_rms 0.4319
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4114
_Distance_constraint_stats_list.Viol_average_violations_only 0.4439
_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 2 DC 45.249 1.045 20 20 [***************-***+]
1 3 DG 19.766 0.820 9 11 "[-* .** +** * .** *2]"
1 4 DC 47.963 1.155 3 20 [**+****************-]
1 5 DA 33.194 1.129 4 20 [***+********-*******]
1 6 DT 38.217 1.163 15 20 [*********-****+*****]
1 7 DG 44.718 2.640 9 20 [********+****-******]
1 8 DC 13.633 1.007 18 19 "[-** *************+**]"
1 9 DG 29.253 2.240 2 20 [*+**************-***]
1 10 DC 15.009 1.429 7 19 "[** *-*+*************]"
1 11 DT 26.519 0.981 8 12 "[* ****-+*1 ***. *]"
1 12 DA 30.169 1.050 13 20 [**********-*+*******]
1 13 DC 36.544 1.008 5 20 [****+*******-*******]
1 14 DG 31.642 1.059 10 20 [*********+*******-**]
1 15 DC 48.895 1.091 4 20 [***+**********-*****]
2 2 DG 48.895 1.091 4 20 [***+**********-*****]
2 3 DC 31.642 1.059 10 20 [*********+*******-**]
2 4 DG 36.544 1.008 5 20 [****+*******-*******]
2 5 DT 30.169 1.050 13 20 [**********-*+*******]
2 6 DA 26.519 0.981 8 12 "[* ****-+*1 ***. *]"
2 8 DG 44.261 2.240 2 20 [*+**-***************]
2 9 DC 44.718 2.640 9 20 [********+****-******]
2 10 DG 13.633 1.007 18 19 "[-** *************+**]"
2 11 DA 38.217 1.163 15 20 [*********-****+*****]
2 12 DT 33.194 1.129 4 20 [***+********-*******]
2 13 DG 47.963 1.155 3 20 [**+****************-]
2 14 DC 19.766 0.820 9 11 "[-* .** +** * .** *2]"
2 15 DG 45.249 1.045 20 20 [***************-***+]
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 2 DC Q4 2 15 DG H1 . . 1.800 2.480 1.938 2.845 1.045 20 14 "[* *** - ** ****** +]" 2
2 1 2 DC Q4 2 15 DG O6 . . 1.800 1.867 1.733 2.065 0.265 18 0 "[ . 1 . 2]" 2
3 1 2 DC N3 2 15 DG H1 . . 1.800 1.932 1.773 2.060 0.260 15 0 "[ . 1 . 2]" 2
4 1 2 DC N3 2 15 DG N1 . . 2.500 2.915 2.754 3.030 0.530 15 2 "[ . 1 +- 2]" 2
5 1 2 DC N4 2 15 DG O6 . . 2.000 2.858 2.683 3.040 1.040 18 20 [***********-*****+**] 2
6 1 2 DC O2 2 15 DG H22 . . 1.800 1.889 1.730 2.184 0.384 17 0 "[ . 1 . 2]" 2
7 1 3 DG H1 2 14 DC Q4 . . 1.800 2.344 2.082 2.620 0.820 9 11 "[-* .** +** * .** *2]" 2
8 1 3 DG H1 2 14 DC N3 . . 1.840 1.936 1.830 2.084 0.244 12 0 "[ . 1 . 2]" 2
9 1 3 DG H22 2 14 DC O2 . . 1.800 1.840 1.680 2.047 0.247 9 0 "[ . 1 . 2]" 2
10 1 3 DG N1 2 14 DC N3 . . 2.850 2.923 2.787 3.093 0.243 12 0 "[ . 1 . 2]" 2
11 1 3 DG O6 2 14 DC Q4 . . 1.800 1.915 1.750 2.087 0.287 2 0 "[ . 1 . 2]" 2
12 1 3 DG O6 2 14 DC N4 . . 2.810 2.898 2.743 3.083 0.273 2 0 "[ . 1 . 2]" 2
13 1 4 DC Q4 2 13 DG H1 . . 1.800 2.361 2.032 2.584 0.784 13 14 "[ * ***-*1* + ******]" 2
14 1 4 DC Q4 2 13 DG O6 . . 1.800 1.973 1.770 2.138 0.338 3 0 "[ . 1 . 2]" 2
15 1 4 DC N3 2 13 DG H1 . . 1.840 1.987 1.861 2.089 0.249 5 0 "[ . 1 . 2]" 2
16 1 4 DC N3 2 13 DG N1 . . 2.500 2.969 2.861 3.079 0.579 5 7 "[ * *+ ** 1 . * -]" 2
17 1 4 DC N4 2 13 DG O6 . . 2.000 2.970 2.749 3.155 1.155 3 20 [**+******-**********] 2
18 1 4 DC O2 2 13 DG H22 . . 1.800 1.862 1.685 2.037 0.237 18 0 "[ . 1 . 2]" 2
19 1 5 DA Q6 2 12 DT H3 . . 1.800 2.306 1.838 2.665 0.865 8 11 "[* . *+*1*** * *-*]" 2
20 1 5 DA Q6 2 12 DT O4 . . 1.840 1.933 1.680 2.351 0.511 13 1 "[ . 1 + . 2]" 2
21 1 5 DA N1 2 12 DT H3 . . 1.800 1.929 1.857 2.138 0.338 4 0 "[ . 1 . 2]" 2
22 1 5 DA N1 2 12 DT N3 . . 2.000 2.913 2.844 3.129 1.129 4 20 [**-+****************] 2
23 1 6 DT H3 2 11 DA Q6 . . 1.800 2.535 2.162 2.913 1.113 18 18 "[*********- ** ***+**]" 2
24 1 6 DT H3 2 11 DA N1 . . 1.800 1.958 1.802 2.180 0.380 15 0 "[ . 1 . 2]" 2
25 1 6 DT N3 2 11 DA N1 . . 2.000 2.929 2.804 3.163 1.163 15 20 [**-***********+*****] 2
26 1 6 DT O4 2 11 DA Q6 . . 1.800 1.882 1.706 2.092 0.292 2 0 "[ . 1 . 2]" 2
27 1 7 DG H1 2 9 DC Q4 . . 1.800 4.036 3.699 4.440 2.640 9 20 [********+****-******] 2
28 1 8 DC Q4 2 10 DG H1 . . 1.800 2.482 2.146 2.807 1.007 18 19 "[-** *************+**]" 2
29 1 9 DG H1 2 8 DG H1 . . 1.800 3.263 2.733 4.040 2.240 2 20 [*+**************-***] 2
30 1 10 DC Q4 2 8 DG H1 . . 1.800 2.550 2.220 3.229 1.429 7 19 "[** *-*+*************]" 2
31 1 11 DT H3 2 6 DA Q6 . . 1.800 2.383 1.924 2.781 0.981 8 12 "[* ****-+*1 ***. *]" 2
32 1 11 DT H3 2 6 DA N1 . . 1.800 2.115 1.918 2.548 0.748 5 3 "[ * + - 1 . 2]" 2
33 1 11 DT N3 2 6 DA N1 . . 2.720 2.954 2.770 3.161 0.441 1 0 "[ . 1 . 2]" 2
34 1 11 DT O4 2 6 DA Q6 . . 1.840 2.031 1.808 2.223 0.383 11 0 "[ . 1 . 2]" 2
35 1 12 DA H61 2 5 DT H3 . . 1.800 2.269 2.014 2.582 0.782 16 7 "[* * * 1- *+ *2]" 2
36 1 12 DA H61 2 5 DT O4 . . 1.800 1.861 1.756 1.993 0.193 1 0 "[ . 1 . 2]" 2
37 1 12 DA N1 2 5 DT H3 . . 1.800 1.890 1.753 2.056 0.256 13 0 "[ . 1 . 2]" 2
38 1 12 DA N1 2 5 DT N3 . . 2.000 2.879 2.746 3.050 1.050 13 20 [*-**********+*******] 2
39 1 13 DC H42 2 4 DG H1 . . 1.800 2.071 1.808 2.359 0.559 19 2 "[ . - 1 . +2]" 2
40 1 13 DC H42 2 4 DG O6 . . 1.800 1.902 1.745 2.172 0.372 5 0 "[ . 1 . 2]" 2
41 1 13 DC N3 2 4 DG H1 . . 1.840 1.931 1.840 2.108 0.268 5 0 "[ . 1 . 2]" 2
42 1 13 DC N3 2 4 DG N1 . . 2.500 2.905 2.808 3.091 0.591 5 3 "[ + 1 *- . 2]" 2
43 1 13 DC N4 2 4 DG O6 . . 2.000 2.862 2.703 3.008 1.008 5 20 [****+********-******] 2
44 1 13 DC O2 2 4 DG H22 . . 1.800 1.885 1.742 2.044 0.244 11 0 "[ . 1 . 2]" 2
45 1 14 DG H1 2 3 DC Q4 . . 1.200 1.993 1.724 2.259 1.059 10 20 [*********+-*********] 2
46 1 14 DG H1 2 3 DC N3 . . 1.600 1.954 1.794 2.148 0.548 11 2 "[ . 1+ . - 2]" 2
47 1 14 DG H21 2 3 DC O2 . . 1.800 1.807 1.654 2.050 0.250 17 0 "[ . 1 . 2]" 2
48 1 14 DG N1 2 3 DC N3 . . 2.850 2.902 2.792 3.063 0.213 11 0 "[ . 1 . 2]" 2
49 1 14 DG O6 2 3 DC Q4 . . 1.800 1.974 1.775 2.235 0.435 11 0 "[ . 1 . 2]" 2
50 1 14 DG O6 2 3 DC N4 . . 2.800 2.948 2.730 3.166 0.366 10 0 "[ . 1 . 2]" 2
51 1 15 DC Q4 2 2 DG H1 . . 1.800 2.560 2.135 2.891 1.091 4 17 "[* *+*****1* *-******]" 2
52 1 15 DC Q4 2 2 DG O6 . . 1.800 1.909 1.791 2.102 0.302 19 0 "[ . 1 . 2]" 2
53 1 15 DC N3 2 2 DG H1 . . 1.840 1.963 1.800 2.103 0.263 16 0 "[ . 1 . 2]" 2
54 1 15 DC N3 2 2 DG N1 . . 2.500 2.944 2.793 3.056 0.556 16 5 "[ * *. 1 *-+ 2]" 2
55 1 15 DC N4 2 2 DG O6 . . 2.000 2.899 2.797 3.024 1.024 1 20 [+*********-*********] 2
56 1 15 DC O2 2 2 DG H22 . . 1.800 1.899 1.746 2.225 0.425 15 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 9:49:06 PM GMT (wattos1)