NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569485 |
2mfp   |
19557 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mfp
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 107
_Distance_constraint_stats_list.Viol_count 205
_Distance_constraint_stats_list.Viol_total 491.472
_Distance_constraint_stats_list.Viol_max 0.517
_Distance_constraint_stats_list.Viol_rms 0.0563
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.1199
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 CYS 0.155 0.041 1 0 "[ . 1 . 2]"
1 4 ASP 1.845 0.207 14 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 1.578 0.207 14 0 "[ . 1 . 2]"
1 7 CYS 0.193 0.066 6 0 "[ . 1 . 2]"
1 8 GLY 0.641 0.088 20 0 "[ . 1 . 2]"
1 9 CYS 2.230 0.090 18 0 "[ . 1 . 2]"
1 10 ALA 10.179 0.517 18 9 "[ * *.** -** . +*2]"
1 11 VAL 3.791 0.285 13 0 "[ . 1 . 2]"
1 12 PRO 3.783 0.285 13 0 "[ . 1 . 2]"
1 13 CYS 9.911 0.517 18 9 "[ * *.** -** . +*2]"
1 14 PRO 2.976 0.357 14 0 "[ . 1 . 2]"
1 15 GLY 0.033 0.033 16 0 "[ . 1 . 2]"
1 17 THR 0.840 0.178 17 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 1.406 0.178 17 0 "[ . 1 . 2]"
1 20 ARG 4.648 0.357 14 0 "[ . 1 . 2]"
1 21 CYS 2.411 0.168 15 0 "[ . 1 . 2]"
1 22 THR 0.655 0.168 15 0 "[ . 1 . 2]"
1 23 SER 0.257 0.075 20 0 "[ . 1 . 2]"
1 24 ALA 0.346 0.075 20 0 "[ . 1 . 2]"
1 25 ARG 0.089 0.060 15 0 "[ . 1 . 2]"
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 10 ALA MB 1 13 CYS HA . . 3.650 2.166 2.013 2.332 . 0 0 "[ . 1 . 2]" 1
2 1 11 VAL HA 1 13 CYS H . . 3.570 3.096 2.659 3.415 . 0 0 "[ . 1 . 2]" 1
3 1 9 CYS HB2 1 10 ALA H . . 3.670 3.666 3.490 3.720 0.050 16 0 "[ . 1 . 2]" 1
4 1 4 ASP H 1 9 CYS HB3 . . 5.140 5.157 4.799 5.230 0.090 18 0 "[ . 1 . 2]" 1
5 1 9 CYS H 1 9 CYS HB3 . . 3.420 3.423 3.335 3.485 0.065 16 0 "[ . 1 . 2]" 1
6 1 13 CYS QB 1 15 GLY H . . 4.610 3.844 3.399 4.145 . 0 0 "[ . 1 . 2]" 1
7 1 13 CYS HA 1 15 GLY H . . 5.500 3.995 3.793 4.337 . 0 0 "[ . 1 . 2]" 1
8 1 13 CYS HA 1 14 PRO HG3 . . 5.500 4.261 3.904 4.525 . 0 0 "[ . 1 . 2]" 1
9 1 13 CYS H 1 13 CYS QB . . 2.810 2.327 2.264 2.407 . 0 0 "[ . 1 . 2]" 1
10 1 11 VAL H 1 13 CYS H . . 5.500 5.320 5.024 5.513 0.013 5 0 "[ . 1 . 2]" 1
11 1 6 LYS HA 1 6 LYS HD3 . . 4.390 3.207 1.991 4.516 0.126 18 0 "[ . 1 . 2]" 1
12 1 6 LYS HA 1 6 LYS HD2 . . 4.390 3.152 2.058 4.515 0.125 20 0 "[ . 1 . 2]" 1
13 1 13 CYS HA 1 14 PRO HD2 . . 3.110 2.496 2.269 2.880 . 0 0 "[ . 1 . 2]" 1
14 1 13 CYS HA 1 14 PRO HD3 . . 2.920 2.075 1.866 2.444 . 0 0 "[ . 1 . 2]" 1
15 1 10 ALA MB 1 14 PRO HD2 . . 3.840 2.710 2.458 3.225 . 0 0 "[ . 1 . 2]" 1
16 1 10 ALA H 1 10 ALA MB . . 2.850 2.157 2.124 2.196 . 0 0 "[ . 1 . 2]" 1
17 1 14 PRO HD2 1 19 CYS HA . . 4.010 3.848 3.782 3.890 . 0 0 "[ . 1 . 2]" 1
18 1 5 ASP HA 1 7 CYS H . . 5.500 3.566 3.317 3.799 . 0 0 "[ . 1 . 2]" 1
19 1 17 THR HB 1 19 CYS H . . 4.900 4.893 4.697 5.078 0.178 17 0 "[ . 1 . 2]" 1
20 1 4 ASP H 1 5 ASP HA . . 5.500 4.961 4.582 5.339 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS HA 1 4 ASP H . . 2.780 2.327 2.044 2.678 . 0 0 "[ . 1 . 2]" 1
22 1 13 CYS H 1 14 PRO HD3 . . 5.240 4.687 4.435 5.015 . 0 0 "[ . 1 . 2]" 1
23 1 12 PRO HA 1 13 CYS H . . 2.960 2.287 2.187 2.382 . 0 0 "[ . 1 . 2]" 1
24 1 9 CYS HB3 1 10 ALA H . . 3.780 2.271 2.036 2.438 . 0 0 "[ . 1 . 2]" 1
25 1 15 GLY HA3 1 19 CYS HB2 . . 4.540 4.015 3.753 4.211 . 0 0 "[ . 1 . 2]" 1
26 1 13 CYS HA 1 14 PRO HG2 . . 5.500 4.474 4.400 4.575 . 0 0 "[ . 1 . 2]" 1
27 1 11 VAL HB 1 12 PRO HD2 . . 5.500 5.280 5.074 5.516 0.016 3 0 "[ . 1 . 2]" 1
28 1 11 VAL HB 1 12 PRO HD3 . . 5.500 4.887 4.649 5.068 . 0 0 "[ . 1 . 2]" 1
29 1 21 CYS H 1 22 THR HB . . 5.010 4.225 3.304 5.178 0.168 15 0 "[ . 1 . 2]" 1
30 1 10 ALA H 1 13 CYS QB . . 3.020 3.514 3.490 3.537 0.517 18 9 "[ * *.** -** . +*2]" 1
31 1 9 CYS H 1 9 CYS HB2 . . 2.900 2.198 2.087 2.445 . 0 0 "[ . 1 . 2]" 1
32 1 1 ALA MB 1 2 GLY H . . 4.470 2.761 2.003 3.513 . 0 0 "[ . 1 . 2]" 1
33 1 24 ALA H 1 25 ARG HA . . 5.220 4.746 4.151 5.280 0.060 15 0 "[ . 1 . 2]" 1
34 1 21 CYS H 1 22 THR HA . . 5.110 4.325 3.931 5.140 0.030 14 0 "[ . 1 . 2]" 1
35 1 9 CYS HB2 1 20 ARG H . . 5.500 4.852 4.494 5.341 . 0 0 "[ . 1 . 2]" 1
36 1 11 VAL HA 1 12 PRO HB3 . . 4.430 4.221 4.139 4.285 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS H 1 6 LYS HD3 . . 5.500 4.121 2.864 4.867 . 0 0 "[ . 1 . 2]" 1
38 1 5 ASP HB2 1 6 LYS H . . 4.700 4.058 3.904 4.199 . 0 0 "[ . 1 . 2]" 1
39 1 4 ASP H 1 6 LYS H . . 4.380 4.268 3.603 4.587 0.207 14 0 "[ . 1 . 2]" 1
40 1 6 LYS H 1 7 CYS H . . 2.640 2.505 2.210 2.659 0.019 6 0 "[ . 1 . 2]" 1
41 1 5 ASP H 1 6 LYS H . . 3.250 2.424 2.116 2.793 . 0 0 "[ . 1 . 2]" 1
42 1 4 ASP QB 1 5 ASP H . . 3.060 2.426 1.677 2.878 . 0 0 "[ . 1 . 2]" 1
43 1 15 GLY H 1 19 CYS HA . . 5.500 4.178 3.843 4.644 . 0 0 "[ . 1 . 2]" 1
44 1 19 CYS HA 1 20 ARG H . . 3.000 2.180 2.059 2.338 . 0 0 "[ . 1 . 2]" 1
45 1 10 ALA H 1 19 CYS HA . . 5.240 4.160 3.710 4.894 . 0 0 "[ . 1 . 2]" 1
46 1 19 CYS HA 1 19 CYS HB2 . . 2.960 2.486 2.399 2.537 . 0 0 "[ . 1 . 2]" 1
47 1 3 CYS QB 1 10 ALA H . . 5.500 4.799 4.407 5.202 . 0 0 "[ . 1 . 2]" 1
48 1 5 ASP H 1 5 ASP HB2 . . 3.750 3.145 2.559 3.743 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLY H 1 9 CYS H . . 2.750 2.188 2.068 2.363 . 0 0 "[ . 1 . 2]" 1
50 1 3 CYS QB 1 4 ASP H . . 3.160 2.615 2.276 3.087 . 0 0 "[ . 1 . 2]" 1
51 1 3 CYS QB 1 7 CYS H . . 5.500 4.722 4.138 4.998 . 0 0 "[ . 1 . 2]" 1
52 1 3 CYS H 1 3 CYS QB . . 2.940 2.514 2.399 2.656 . 0 0 "[ . 1 . 2]" 1
53 1 3 CYS QB 1 9 CYS H . . 4.120 4.092 3.979 4.161 0.041 1 0 "[ . 1 . 2]" 1
54 1 17 THR HB 1 18 GLY H . . 4.780 3.154 2.160 4.073 . 0 0 "[ . 1 . 2]" 1
55 1 13 CYS H 1 14 PRO HA . . 5.500 5.313 5.191 5.505 0.005 8 0 "[ . 1 . 2]" 1
56 1 12 PRO HB3 1 13 CYS H . . 4.210 3.574 3.132 3.878 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASP HB3 1 6 LYS H . . 4.700 3.367 2.652 4.168 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASP H 1 5 ASP HB3 . . 3.750 2.512 2.321 2.789 . 0 0 "[ . 1 . 2]" 1
59 1 20 ARG HA 1 21 CYS H . . 3.530 2.360 2.046 3.396 . 0 0 "[ . 1 . 2]" 1
60 1 20 ARG H 1 21 CYS H . . 3.350 3.388 2.769 3.491 0.141 1 0 "[ . 1 . 2]" 1
61 1 21 CYS H 1 22 THR H . . 4.590 1.928 1.696 2.699 . 0 0 "[ . 1 . 2]" 1
62 1 19 CYS HA 1 21 CYS H . . 4.190 3.931 3.342 4.035 . 0 0 "[ . 1 . 2]" 1
63 1 17 THR HA 1 17 THR MG . . 3.490 2.310 2.245 2.391 . 0 0 "[ . 1 . 2]" 1
64 1 23 SER H 1 24 ALA HA . . 5.080 4.838 4.370 5.155 0.075 20 0 "[ . 1 . 2]" 1
65 1 15 GLY H 1 19 CYS HB2 . . 3.810 2.949 2.484 3.438 . 0 0 "[ . 1 . 2]" 1
66 1 19 CYS HB2 1 20 ARG H . . 5.130 4.478 4.121 4.615 . 0 0 "[ . 1 . 2]" 1
67 1 19 CYS HB2 1 21 CYS H . . 4.910 4.782 4.113 4.966 0.056 3 0 "[ . 1 . 2]" 1
68 1 19 CYS H 1 19 CYS HB2 . . 2.870 2.821 2.722 2.946 0.076 16 0 "[ . 1 . 2]" 1
69 1 15 GLY HA2 1 19 CYS HB2 . . 3.130 2.584 2.032 3.163 0.033 16 0 "[ . 1 . 2]" 1
70 1 14 PRO HD2 1 15 GLY H . . 3.470 2.577 2.106 2.961 . 0 0 "[ . 1 . 2]" 1
71 1 14 PRO HD2 1 20 ARG H . . 5.220 5.365 5.177 5.577 0.357 14 0 "[ . 1 . 2]" 1
72 1 12 PRO HB2 1 13 CYS H . . 3.510 3.025 2.652 3.515 0.005 10 0 "[ . 1 . 2]" 1
73 1 11 VAL H 1 11 VAL HB . . 2.930 2.836 2.760 2.885 . 0 0 "[ . 1 . 2]" 1
74 1 10 ALA HA 1 11 VAL H . . 2.460 2.365 2.294 2.439 . 0 0 "[ . 1 . 2]" 1
75 1 11 VAL H 1 12 PRO HD2 . . 4.530 4.717 4.585 4.815 0.285 13 0 "[ . 1 . 2]" 1
76 1 4 ASP H 1 7 CYS H . . 3.580 3.222 2.841 3.607 0.027 14 0 "[ . 1 . 2]" 1
77 1 7 CYS H 1 9 CYS H . . 4.580 3.521 3.365 3.775 . 0 0 "[ . 1 . 2]" 1
78 1 5 ASP H 1 7 CYS H . . 4.440 3.931 3.521 4.217 . 0 0 "[ . 1 . 2]" 1
79 1 7 CYS H 1 8 GLY H . . 3.030 2.305 2.124 2.553 . 0 0 "[ . 1 . 2]" 1
80 1 7 CYS H 1 7 CYS HB2 . . 3.310 2.454 2.037 2.761 . 0 0 "[ . 1 . 2]" 1
81 1 5 ASP HA 1 6 LYS H . . 3.550 3.415 3.322 3.531 . 0 0 "[ . 1 . 2]" 1
82 1 9 CYS HB2 1 10 ALA MB . . 5.080 4.969 4.940 4.990 . 0 0 "[ . 1 . 2]" 1
83 1 10 ALA MB 1 11 VAL H . . 2.910 2.568 2.391 2.756 . 0 0 "[ . 1 . 2]" 1
84 1 21 CYS H 1 24 ALA MB . . 5.500 4.227 2.917 5.479 . 0 0 "[ . 1 . 2]" 1
85 1 24 ALA H 1 24 ALA MB . . 3.670 2.438 2.216 2.752 . 0 0 "[ . 1 . 2]" 1
86 1 20 ARG H 1 20 ARG HB2 . . 4.100 2.770 2.278 3.699 . 0 0 "[ . 1 . 2]" 1
87 1 19 CYS H 1 19 CYS HB3 . . 2.840 2.692 2.494 2.778 . 0 0 "[ . 1 . 2]" 1
88 1 14 PRO HD3 1 15 GLY H . . 4.230 3.827 3.517 4.046 . 0 0 "[ . 1 . 2]" 1
89 1 10 ALA MB 1 14 PRO HD3 . . 3.150 2.279 1.961 3.035 . 0 0 "[ . 1 . 2]" 1
90 1 4 ASP H 1 5 ASP H . . 5.500 4.219 4.134 4.330 . 0 0 "[ . 1 . 2]" 1
91 1 8 GLY H 1 9 CYS HB3 . . 5.500 5.509 5.257 5.588 0.088 20 0 "[ . 1 . 2]" 1
92 1 20 ARG H 1 20 ARG HB3 . . 4.100 3.385 2.874 3.673 . 0 0 "[ . 1 . 2]" 1
93 1 6 LYS H 1 6 LYS HD2 . . 5.500 4.209 3.560 5.162 . 0 0 "[ . 1 . 2]" 1
94 1 10 ALA H 1 11 VAL H . . 4.780 4.588 4.515 4.659 . 0 0 "[ . 1 . 2]" 1
95 1 10 ALA H 1 14 PRO HD3 . . 5.500 4.497 3.860 5.224 . 0 0 "[ . 1 . 2]" 1
96 1 9 CYS HA 1 10 ALA H . . 2.730 2.485 2.294 2.615 . 0 0 "[ . 1 . 2]" 1
97 1 7 CYS HB2 1 9 CYS H . . 4.530 3.772 2.035 4.543 0.013 5 0 "[ . 1 . 2]" 1
98 1 7 CYS HB2 1 8 GLY H . . 4.420 3.763 2.470 4.121 . 0 0 "[ . 1 . 2]" 1
99 1 5 ASP HA 1 8 GLY H . . 5.500 3.401 2.929 4.048 . 0 0 "[ . 1 . 2]" 1
100 1 22 THR HA 1 22 THR MG . . 3.360 2.808 2.245 3.253 . 0 0 "[ . 1 . 2]" 1
101 1 21 CYS H 1 22 THR MG . . 5.080 3.576 2.695 4.868 . 0 0 "[ . 1 . 2]" 1
102 1 19 CYS H 1 22 THR MG . . 5.500 4.843 3.749 5.541 0.041 13 0 "[ . 1 . 2]" 1
103 1 15 GLY H 1 15 GLY HA2 . . 2.600 2.396 2.329 2.506 . 0 0 "[ . 1 . 2]" 1
104 1 8 GLY H 1 9 CYS HA . . 5.340 4.881 4.749 5.028 . 0 0 "[ . 1 . 2]" 1
105 1 7 CYS HB3 1 9 CYS H . . 4.530 2.351 1.953 2.881 . 0 0 "[ . 1 . 2]" 1
106 1 7 CYS H 1 7 CYS HB3 . . 3.310 2.842 2.610 3.376 0.066 6 0 "[ . 1 . 2]" 1
107 1 7 CYS HB3 1 8 GLY H . . 4.420 3.066 2.858 3.271 . 0 0 "[ . 1 . 2]" 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 20
_Distance_constraint_stats_list.Viol_count 378
_Distance_constraint_stats_list.Viol_total 2468.043
_Distance_constraint_stats_list.Viol_max 0.847
_Distance_constraint_stats_list.Viol_rms 0.2378
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3085
_Distance_constraint_stats_list.Viol_average_violations_only 0.3265
_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 3 CYS 56.149 0.847 4 20 [***+*-**************]
1 7 CYS 30.547 0.687 10 17 "[ ********+ ***- ****]"
1 9 CYS 43.517 0.715 14 20 [*************+******]
1 13 CYS 19.185 0.603 7 10 "[ * .-+* ** * .*** 2]"
1 19 CYS 32.322 0.815 5 18 "[****+ *******-.*****]"
1 21 CYS 43.262 0.847 4 20 [-**+****************]
2 1 CD 8.245 0.203 16 0 "[ . 1 . 2]"
3 1 CD 13.576 0.299 14 0 "[ . 1 . 2]"
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 19 CYS SG 2 1 CD CD . . 2.470 2.632 2.495 2.673 0.203 16 0 "[ . 1 . 2]" 2
2 1 13 CYS SG 2 1 CD CD . . 2.470 2.570 2.495 2.594 0.124 17 0 "[ . 1 . 2]" 2
3 1 9 CYS SG 2 1 CD CD . . 2.470 2.521 2.450 2.543 0.073 18 0 "[ . 1 . 2]" 2
4 1 3 CYS SG 2 1 CD CD . . 2.470 2.567 2.453 2.619 0.149 7 0 "[ . 1 . 2]" 2
5 1 3 CYS SG 3 1 CD CD . . 2.470 2.593 2.542 2.636 0.166 13 0 "[ . 1 . 2]" 2
6 1 9 CYS SG 3 1 CD CD . . 2.470 2.609 2.521 2.641 0.171 14 0 "[ . 1 . 2]" 2
7 1 7 CYS SG 3 1 CD CD . . 2.470 2.634 2.507 2.678 0.208 8 0 "[ . 1 . 2]" 2
8 1 21 CYS SG 3 1 CD CD . . 2.470 2.723 2.651 2.769 0.299 14 0 "[ . 1 . 2]" 2
9 2 1 CD CD 3 1 CD CD . . 3.200 2.789 2.703 2.888 . 0 0 "[ . 1 . 2]" 2
10 1 13 CYS SG 1 19 CYS SG . . 3.800 4.060 3.802 4.166 0.366 20 0 "[ . 1 . 2]" 2
11 1 9 CYS SG 1 19 CYS SG . . 3.800 4.264 4.168 4.346 0.546 19 6 "[ . * 1* -.* *+2]" 2
12 1 3 CYS SG 1 19 CYS SG . . 3.800 4.530 4.256 4.615 0.815 5 18 "[****+ *******-.*****]" 2
13 1 9 CYS SG 1 13 CYS SG . . 3.800 3.910 3.837 4.004 0.204 6 0 "[ . 1 . 2]" 2
14 1 3 CYS SG 1 13 CYS SG . . 3.800 4.289 4.035 4.403 0.603 7 10 "[ * .-+* ** * .*** 2]" 2
15 1 3 CYS SG 1 9 CYS SG . . 3.800 4.057 3.932 4.111 0.311 3 0 "[ . 1 . 2]" 2
16 1 9 CYS SG 1 21 CYS SG . . 3.800 4.441 4.309 4.515 0.715 14 20 [-************+******] 2
17 1 7 CYS SG 1 21 CYS SG . . 3.800 4.304 3.933 4.487 0.687 10 14 "[ * ******+ **** * -2]" 2
18 1 3 CYS SG 1 21 CYS SG . . 3.800 4.564 4.392 4.647 0.847 4 20 [**-+****************] 2
19 1 7 CYS SG 1 9 CYS SG . . 3.800 4.314 4.070 4.414 0.614 18 13 "[ *** ***1 * *- *+**]" 2
20 1 3 CYS SG 1 7 CYS SG . . 3.800 4.146 3.943 4.283 0.483 11 0 "[ . 1 . 2]" 2
stop_
save_
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