NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386763 |
1m0g   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m0g
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 279
_Distance_constraint_stats_list.Viol_count 1596
_Distance_constraint_stats_list.Viol_total 4933.475
_Distance_constraint_stats_list.Viol_max 0.987
_Distance_constraint_stats_list.Viol_rms 0.1068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0442
_Distance_constraint_stats_list.Viol_average_violations_only 0.1546
_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 SER 0.297 0.049 7 0 "[ . 1 . 2]"
1 2 CYS 0.517 0.087 11 0 "[ . 1 . 2]"
1 3 CYS 14.119 0.225 13 0 "[ . 1 . 2]"
1 4 PRO 18.139 0.537 1 20 [+*********-*********]
1 5 CYS 6.499 0.455 9 0 "[ . 1 . 2]"
1 6 CYS 25.207 0.455 9 0 "[ . 1 . 2]"
1 7 PRO 8.725 0.186 12 0 "[ . 1 . 2]"
1 8 SER 11.651 0.593 15 10 "[ * .**-*1 +*** *]"
1 9 GLY 12.284 0.593 15 10 "[ * .**-*1 +*** *]"
1 10 CYS 27.594 0.538 7 13 "[ *****+* * *- * **2]"
1 11 THR 20.682 0.538 7 13 "[ *****+* * *- * **2]"
1 12 LYS 34.245 0.723 16 3 "[ . * - .+ 2]"
1 13 CYS 31.427 0.409 17 0 "[ . 1 . 2]"
1 14 ALA 13.038 0.265 6 0 "[ . 1 . 2]"
1 15 SER 11.470 0.367 2 0 "[ . 1 . 2]"
1 16 GLY 6.036 0.234 20 0 "[ . 1 . 2]"
1 17 CYS 18.290 0.393 7 0 "[ . 1 . 2]"
1 18 VAL 8.150 0.393 7 0 "[ . 1 . 2]"
1 19 CYS 9.316 0.827 7 1 "[ . + 1 . 2]"
1 20 LYS 11.419 0.401 11 0 "[ . 1 . 2]"
1 21 GLY 1.370 0.505 8 1 "[ . + 1 . 2]"
1 22 LYS 2.141 0.505 8 1 "[ . + 1 . 2]"
1 23 THR 0.668 0.096 17 0 "[ . 1 . 2]"
1 24 CYS 10.108 0.827 7 1 "[ . + 1 . 2]"
1 25 ASP 16.873 0.822 20 8 "[ * . * 1 -* *** +]"
1 26 THR 12.728 0.987 17 8 "[ * . * 1 -* **+ *]"
1 27 SER 6.463 0.299 13 0 "[ . 1 . 2]"
1 28 CYS 16.791 0.454 19 0 "[ . 1 . 2]"
1 29 CYS 9.456 0.854 8 4 "[ . + 1 - ** 2]"
1 30 GLN 29.675 0.987 17 8 "[ * . - 1 ** **+ *]"
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 SER HA 1 8 SER HA . . 3.860 3.824 3.427 3.909 0.049 7 0 "[ . 1 . 2]" 1
2 1 2 CYS H 1 2 CYS QB . . 3.110 2.686 2.191 3.197 0.087 11 0 "[ . 1 . 2]" 1
3 1 2 CYS H 1 3 CYS H . . 3.050 2.326 1.861 3.085 0.035 16 0 "[ . 1 . 2]" 1
4 1 2 CYS HA 1 2 CYS QB . . 2.460 2.299 2.133 2.405 . 0 0 "[ . 1 . 2]" 1
5 1 2 CYS HA 1 3 CYS HA . . 4.660 4.669 4.625 4.729 0.069 15 0 "[ . 1 . 2]" 1
6 1 2 CYS QB 1 3 CYS H . . 3.700 2.476 1.889 3.148 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS QB 1 13 CYS HB3 . . 5.310 3.381 2.905 4.158 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS QB 1 17 CYS HA . . 5.280 4.736 3.997 5.171 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS H 1 3 CYS QB . . 3.210 3.201 2.803 3.395 0.185 18 0 "[ . 1 . 2]" 1
10 1 3 CYS H 1 6 CYS H . . 4.170 4.303 4.196 4.395 0.225 13 0 "[ . 1 . 2]" 1
11 1 3 CYS HA 1 3 CYS QB . . 2.400 2.200 2.195 2.203 . 0 0 "[ . 1 . 2]" 1
12 1 3 CYS HA 1 4 PRO HA . . 4.320 4.352 4.347 4.361 0.041 7 0 "[ . 1 . 2]" 1
13 1 3 CYS HA 1 4 PRO QG . . 3.700 3.899 3.879 3.916 0.216 16 0 "[ . 1 . 2]" 1
14 1 3 CYS HA 1 4 PRO HD3 . . 2.400 1.978 1.972 1.987 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS HA 1 4 PRO HD2 . . 2.400 2.541 2.468 2.593 0.193 16 0 "[ . 1 . 2]" 1
16 1 3 CYS HA 1 5 CYS H . . 3.700 3.679 3.586 3.728 0.028 16 0 "[ . 1 . 2]" 1
17 1 3 CYS QB 1 4 PRO HA . . 4.850 4.678 4.616 4.760 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS QB 1 4 PRO QG . . 5.500 4.313 4.223 4.445 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS QB 1 4 PRO HD3 . . 3.700 3.414 3.331 3.530 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS QB 1 4 PRO HD2 . . 3.140 2.628 2.514 2.779 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS QB 1 5 CYS QB . . 5.500 3.292 2.823 3.844 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS QB 1 6 CYS H . . 3.890 3.983 3.505 4.101 0.211 12 0 "[ . 1 . 2]" 1
23 1 3 CYS QB 1 19 CYS HB2 . . 3.860 3.561 3.256 3.825 . 0 0 "[ . 1 . 2]" 1
24 1 3 CYS QB 1 19 CYS HB3 . . 4.660 4.200 3.210 4.514 . 0 0 "[ . 1 . 2]" 1
25 1 4 PRO HA 1 4 PRO HB3 . . 2.400 2.302 2.301 2.303 . 0 0 "[ . 1 . 2]" 1
26 1 4 PRO HA 1 4 PRO QG . . 2.960 3.496 3.495 3.497 0.537 1 20 [+*********-*********] 1
27 1 4 PRO HA 1 6 CYS H . . 4.350 3.298 3.198 3.696 . 0 0 "[ . 1 . 2]" 1
28 1 4 PRO HD2 1 4 PRO QG . . 2.650 2.210 2.210 2.211 . 0 0 "[ . 1 . 2]" 1
29 1 4 PRO QG 1 5 CYS HA . . 5.500 5.005 4.801 5.122 . 0 0 "[ . 1 . 2]" 1
30 1 4 PRO HD3 1 5 CYS H . . 4.260 3.987 3.868 4.043 . 0 0 "[ . 1 . 2]" 1
31 1 4 PRO HD2 1 5 CYS H . . 3.550 3.012 2.789 3.114 . 0 0 "[ . 1 . 2]" 1
32 1 5 CYS H 1 5 CYS QB . . 3.020 2.569 2.173 3.002 . 0 0 "[ . 1 . 2]" 1
33 1 5 CYS H 1 6 CYS H . . 2.400 2.206 2.151 2.306 . 0 0 "[ . 1 . 2]" 1
34 1 5 CYS HA 1 5 CYS QB . . 2.400 2.138 2.125 2.159 . 0 0 "[ . 1 . 2]" 1
35 1 5 CYS HA 1 6 CYS H . . 3.300 3.243 3.123 3.532 0.232 7 0 "[ . 1 . 2]" 1
36 1 5 CYS HA 1 6 CYS HA . . 4.600 4.435 4.393 4.582 . 0 0 "[ . 1 . 2]" 1
37 1 5 CYS QB 1 6 CYS H . . 3.610 3.899 3.448 4.065 0.455 9 0 "[ . 1 . 2]" 1
38 1 6 CYS H 1 6 CYS HA . . 3.050 2.888 2.851 2.923 . 0 0 "[ . 1 . 2]" 1
39 1 6 CYS H 1 6 CYS QB . . 2.590 2.710 2.309 2.869 0.279 10 0 "[ . 1 . 2]" 1
40 1 6 CYS HA 1 6 CYS QB . . 2.400 2.445 2.401 2.467 0.067 7 0 "[ . 1 . 2]" 1
41 1 6 CYS HA 1 7 PRO HA . . 4.170 4.355 4.354 4.356 0.186 12 0 "[ . 1 . 2]" 1
42 1 6 CYS HA 1 7 PRO QG . . 4.070 4.010 3.984 4.032 . 0 0 "[ . 1 . 2]" 1
43 1 6 CYS HA 1 7 PRO QD . . 2.400 2.020 1.991 2.045 . 0 0 "[ . 1 . 2]" 1
44 1 6 CYS HA 1 10 CYS QB . . 3.980 4.308 4.214 4.383 0.403 19 0 "[ . 1 . 2]" 1
45 1 6 CYS QB 1 7 PRO QD . . 2.590 1.980 1.927 2.117 . 0 0 "[ . 1 . 2]" 1
46 1 7 PRO HA 1 7 PRO HB2 . . 2.550 2.733 2.732 2.733 0.183 8 0 "[ . 1 . 2]" 1
47 1 7 PRO HA 1 7 PRO HB3 . . 2.490 2.303 2.302 2.304 . 0 0 "[ . 1 . 2]" 1
48 1 7 PRO HA 1 8 SER H . . 3.170 2.454 2.393 2.583 . 0 0 "[ . 1 . 2]" 1
49 1 7 PRO HA 1 8 SER HA . . 4.110 4.173 4.167 4.205 0.095 19 0 "[ . 1 . 2]" 1
50 1 7 PRO HB2 1 8 SER H . . 3.700 2.670 2.366 2.819 . 0 0 "[ . 1 . 2]" 1
51 1 7 PRO HB2 1 9 GLY H . . 3.860 3.710 3.206 3.929 0.069 8 0 "[ . 1 . 2]" 1
52 1 7 PRO HB3 1 7 PRO QD . . 3.480 3.322 3.321 3.323 . 0 0 "[ . 1 . 2]" 1
53 1 7 PRO HB3 1 8 SER H . . 3.580 3.380 3.242 3.453 . 0 0 "[ . 1 . 2]" 1
54 1 7 PRO QG 1 9 GLY H . . 5.220 3.906 3.478 4.125 . 0 0 "[ . 1 . 2]" 1
55 1 7 PRO QG 1 10 CYS H . . 4.230 2.903 2.793 4.245 0.015 19 0 "[ . 1 . 2]" 1
56 1 7 PRO QG 1 10 CYS QB . . 4.850 2.880 2.726 3.126 . 0 0 "[ . 1 . 2]" 1
57 1 7 PRO QD 1 10 CYS QB . . 4.040 1.973 1.923 2.203 . 0 0 "[ . 1 . 2]" 1
58 1 8 SER H 1 8 SER QB . . 2.860 2.579 2.211 2.770 . 0 0 "[ . 1 . 2]" 1
59 1 8 SER H 1 9 GLY H . . 3.790 3.637 3.344 3.766 . 0 0 "[ . 1 . 2]" 1
60 1 8 SER HA 1 8 SER QB . . 2.400 2.278 2.184 2.402 0.002 16 0 "[ . 1 . 2]" 1
61 1 8 SER HA 1 9 GLY H . . 2.650 2.622 2.554 2.722 0.072 19 0 "[ . 1 . 2]" 1
62 1 8 SER QB 1 9 GLY H . . 3.520 4.016 3.971 4.113 0.593 15 10 "[ * .**-*1 +*** *]" 1
63 1 9 GLY H 1 10 CYS H . . 3.080 3.135 2.078 3.289 0.209 20 0 "[ . 1 . 2]" 1
64 1 9 GLY H 1 10 CYS QB . . 3.830 3.385 3.341 3.401 . 0 0 "[ . 1 . 2]" 1
65 1 9 GLY HA2 1 10 CYS H . . 3.920 3.530 2.851 3.582 . 0 0 "[ . 1 . 2]" 1
66 1 10 CYS H 1 10 CYS QB . . 2.400 2.768 2.260 2.876 0.476 20 0 "[ . 1 . 2]" 1
67 1 10 CYS H 1 11 THR H . . 3.860 3.637 3.573 4.066 0.206 19 0 "[ . 1 . 2]" 1
68 1 10 CYS HA 1 10 CYS QB . . 2.460 2.362 2.297 2.403 . 0 0 "[ . 1 . 2]" 1
69 1 10 CYS HA 1 11 THR H . . 2.400 2.275 2.227 2.322 . 0 0 "[ . 1 . 2]" 1
70 1 10 CYS HA 1 13 CYS HB2 . . 4.720 4.780 4.677 4.837 0.117 16 0 "[ . 1 . 2]" 1
71 1 10 CYS QB 1 11 THR H . . 3.550 4.048 3.975 4.088 0.538 7 13 "[ *****+* * *- * **2]" 1
72 1 10 CYS QB 1 13 CYS H . . 3.210 2.730 2.632 2.937 . 0 0 "[ . 1 . 2]" 1
73 1 11 THR H 1 11 THR HA . . 2.740 2.774 2.731 2.821 0.081 20 0 "[ . 1 . 2]" 1
74 1 11 THR H 1 11 THR HB . . 3.140 2.735 1.954 3.495 0.355 20 0 "[ . 1 . 2]" 1
75 1 11 THR H 1 11 THR MG . . 4.050 2.859 1.882 3.444 . 0 0 "[ . 1 . 2]" 1
76 1 11 THR H 1 12 LYS H . . 2.770 2.743 2.615 2.835 0.065 7 0 "[ . 1 . 2]" 1
77 1 11 THR H 1 13 CYS H . . 4.320 4.409 4.343 4.486 0.166 2 0 "[ . 1 . 2]" 1
78 1 11 THR HA 1 11 THR HB . . 2.800 2.771 2.429 3.011 0.211 3 0 "[ . 1 . 2]" 1
79 1 11 THR HA 1 11 THR MG . . 3.430 2.581 2.005 2.890 . 0 0 "[ . 1 . 2]" 1
80 1 11 THR HA 1 12 LYS H . . 3.300 3.472 3.429 3.499 0.199 19 0 "[ . 1 . 2]" 1
81 1 11 THR HA 1 14 ALA H . . 3.140 3.061 2.931 3.181 0.041 11 0 "[ . 1 . 2]" 1
82 1 11 THR HA 1 14 ALA MB . . 3.430 1.993 1.888 2.262 . 0 0 "[ . 1 . 2]" 1
83 1 11 THR MG 1 12 LYS H . . 5.160 3.706 3.055 4.427 . 0 0 "[ . 1 . 2]" 1
84 1 11 THR MG 1 12 LYS HA . . 6.530 4.372 3.103 5.515 . 0 0 "[ . 1 . 2]" 1
85 1 12 LYS H 1 12 LYS QB . . 2.800 2.058 2.030 2.274 . 0 0 "[ . 1 . 2]" 1
86 1 12 LYS H 1 12 LYS HG2 . . 3.730 3.801 3.753 4.047 0.317 16 0 "[ . 1 . 2]" 1
87 1 12 LYS H 1 12 LYS HG3 . . 3.300 3.430 2.915 3.595 0.295 14 0 "[ . 1 . 2]" 1
88 1 12 LYS H 1 13 CYS H . . 2.400 2.432 2.347 2.495 0.095 16 0 "[ . 1 . 2]" 1
89 1 12 LYS H 1 13 CYS HB2 . . 4.350 4.411 4.288 4.498 0.148 16 0 "[ . 1 . 2]" 1
90 1 12 LYS H 1 14 ALA H . . 3.360 3.521 3.457 3.587 0.227 6 0 "[ . 1 . 2]" 1
91 1 12 LYS HA 1 12 LYS QB . . 2.650 2.528 2.425 2.539 . 0 0 "[ . 1 . 2]" 1
92 1 12 LYS HA 1 12 LYS HG2 . . 2.590 2.018 1.937 3.128 0.538 16 1 "[ . 1 .+ 2]" 1
93 1 12 LYS HA 1 12 LYS HG3 . . 2.930 3.051 2.235 3.175 0.245 14 0 "[ . 1 . 2]" 1
94 1 12 LYS HA 1 12 LYS QD . . 3.020 3.475 3.325 3.743 0.723 16 3 "[ . * - .+ 2]" 1
95 1 12 LYS HA 1 13 CYS H . . 3.480 3.548 3.534 3.565 0.085 16 0 "[ . 1 . 2]" 1
96 1 12 LYS HA 1 18 VAL MG1 . . 4.980 3.176 3.032 3.318 . 0 0 "[ . 1 . 2]" 1
97 1 12 LYS QB 1 12 LYS HG2 . . 2.710 2.539 2.185 2.570 . 0 0 "[ . 1 . 2]" 1
98 1 12 LYS QB 1 13 CYS H . . 3.020 2.753 2.550 2.826 . 0 0 "[ . 1 . 2]" 1
99 1 12 LYS QB 1 13 CYS HA . . 4.570 4.003 3.947 4.043 . 0 0 "[ . 1 . 2]" 1
100 1 12 LYS QB 1 18 VAL MG1 . . 3.740 2.182 1.857 2.538 . 0 0 "[ . 1 . 2]" 1
101 1 12 LYS QB 1 18 VAL MG2 . . 5.230 2.422 1.934 2.787 . 0 0 "[ . 1 . 2]" 1
102 1 12 LYS QB 1 29 CYS HA . . 4.420 3.021 2.717 3.278 . 0 0 "[ . 1 . 2]" 1
103 1 12 LYS QB 1 29 CYS QB . . 5.160 3.100 2.872 3.405 . 0 0 "[ . 1 . 2]" 1
104 1 12 LYS HG2 1 18 VAL MG1 . . 5.130 3.334 3.078 3.564 . 0 0 "[ . 1 . 2]" 1
105 1 12 LYS HG2 1 18 VAL MG2 . . 6.250 4.155 3.650 4.665 . 0 0 "[ . 1 . 2]" 1
106 1 12 LYS HG2 1 29 CYS HA . . 4.040 4.320 3.053 4.497 0.457 5 0 "[ . 1 . 2]" 1
107 1 12 LYS HG3 1 13 CYS H . . 5.100 5.030 4.659 5.110 0.010 19 0 "[ . 1 . 2]" 1
108 1 12 LYS HG3 1 18 VAL MG1 . . 5.160 4.228 4.045 4.345 . 0 0 "[ . 1 . 2]" 1
109 1 12 LYS HG3 1 29 CYS HA . . 4.230 3.385 2.997 4.323 0.093 16 0 "[ . 1 . 2]" 1
110 1 12 LYS QD 1 18 VAL MG1 . . 4.760 2.475 2.012 4.145 . 0 0 "[ . 1 . 2]" 1
111 1 12 LYS QD 1 18 VAL MG2 . . 6.120 2.114 1.812 3.966 . 0 0 "[ . 1 . 2]" 1
112 1 12 LYS QD 1 29 CYS HA . . 3.240 1.956 1.922 1.992 . 0 0 "[ . 1 . 2]" 1
113 1 12 LYS QD 1 29 CYS QB . . 5.100 3.451 2.350 3.671 . 0 0 "[ . 1 . 2]" 1
114 1 13 CYS H 1 13 CYS HA . . 2.990 2.929 2.900 2.948 . 0 0 "[ . 1 . 2]" 1
115 1 13 CYS H 1 13 CYS HB2 . . 2.400 2.207 2.141 2.252 . 0 0 "[ . 1 . 2]" 1
116 1 13 CYS H 1 13 CYS HB3 . . 3.420 3.523 3.474 3.553 0.133 17 0 "[ . 1 . 2]" 1
117 1 13 CYS H 1 14 ALA H . . 2.430 2.443 2.346 2.562 0.132 2 0 "[ . 1 . 2]" 1
118 1 13 CYS H 1 18 VAL MG1 . . 5.540 3.663 3.103 4.137 . 0 0 "[ . 1 . 2]" 1
119 1 13 CYS HA 1 13 CYS HB2 . . 2.620 3.019 3.001 3.029 0.409 17 0 "[ . 1 . 2]" 1
120 1 13 CYS HA 1 14 ALA H . . 3.360 3.423 3.411 3.438 0.078 5 0 "[ . 1 . 2]" 1
121 1 13 CYS HA 1 17 CYS HA . . 3.420 2.232 2.011 2.333 . 0 0 "[ . 1 . 2]" 1
122 1 13 CYS HB2 1 14 ALA H . . 3.450 3.540 3.488 3.602 0.152 6 0 "[ . 1 . 2]" 1
123 1 13 CYS HB2 1 14 ALA HA . . 4.540 4.698 4.622 4.805 0.265 6 0 "[ . 1 . 2]" 1
124 1 13 CYS HB2 1 14 ALA MB . . 5.690 4.707 4.557 4.796 . 0 0 "[ . 1 . 2]" 1
125 1 13 CYS HB2 1 17 CYS HA . . 4.260 4.029 3.802 4.143 . 0 0 "[ . 1 . 2]" 1
126 1 13 CYS HB3 1 14 ALA H . . 4.200 4.122 4.056 4.166 . 0 0 "[ . 1 . 2]" 1
127 1 13 CYS HB3 1 17 CYS HA . . 2.860 2.922 2.583 3.117 0.257 7 0 "[ . 1 . 2]" 1
128 1 13 CYS HB3 1 17 CYS QB . . 3.550 3.834 3.745 3.918 0.368 11 0 "[ . 1 . 2]" 1
129 1 13 CYS HB3 1 18 VAL MG1 . . 6.000 4.704 4.145 5.226 . 0 0 "[ . 1 . 2]" 1
130 1 13 CYS HB3 1 18 VAL MG2 . . 5.970 5.746 5.347 5.869 . 0 0 "[ . 1 . 2]" 1
131 1 14 ALA H 1 14 ALA MB . . 3.430 2.070 1.953 2.178 . 0 0 "[ . 1 . 2]" 1
132 1 14 ALA H 1 15 SER H . . 3.110 2.588 2.483 2.696 . 0 0 "[ . 1 . 2]" 1
133 1 14 ALA H 1 16 GLY H . . 3.950 3.798 3.547 4.049 0.099 6 0 "[ . 1 . 2]" 1
134 1 14 ALA HA 1 16 GLY H . . 3.480 3.603 3.530 3.714 0.234 20 0 "[ . 1 . 2]" 1
135 1 14 ALA MB 1 15 SER H . . 4.080 2.811 2.548 3.140 . 0 0 "[ . 1 . 2]" 1
136 1 14 ALA MB 1 15 SER HA . . 5.070 3.882 3.758 3.962 . 0 0 "[ . 1 . 2]" 1
137 1 14 ALA MB 1 16 GLY H . . 5.130 4.197 4.086 4.359 . 0 0 "[ . 1 . 2]" 1
138 1 15 SER H 1 15 SER HB2 . . 2.770 2.164 2.121 2.190 . 0 0 "[ . 1 . 2]" 1
139 1 15 SER H 1 15 SER HB3 . . 2.900 2.996 2.935 3.035 0.135 20 0 "[ . 1 . 2]" 1
140 1 15 SER H 1 16 GLY H . . 2.430 2.481 2.410 2.555 0.125 9 0 "[ . 1 . 2]" 1
141 1 15 SER HA 1 15 SER HB2 . . 2.800 2.777 2.742 2.799 . 0 0 "[ . 1 . 2]" 1
142 1 15 SER HA 1 15 SER HB3 . . 2.620 2.965 2.950 2.987 0.367 2 0 "[ . 1 . 2]" 1
143 1 15 SER HB2 1 16 GLY H . . 3.920 3.999 3.914 4.063 0.143 20 0 "[ . 1 . 2]" 1
144 1 15 SER HB3 1 16 GLY H . . 3.890 3.703 3.481 3.845 . 0 0 "[ . 1 . 2]" 1
145 1 16 GLY QA 1 17 CYS H . . 2.620 2.365 2.169 2.778 0.158 2 0 "[ . 1 . 2]" 1
146 1 16 GLY QA 1 17 CYS QB . . 4.760 3.669 3.550 3.891 . 0 0 "[ . 1 . 2]" 1
147 1 17 CYS H 1 19 CYS H . . 5.310 4.960 4.713 5.208 . 0 0 "[ . 1 . 2]" 1
148 1 17 CYS HA 1 17 CYS QB . . 2.770 2.378 2.327 2.449 . 0 0 "[ . 1 . 2]" 1
149 1 17 CYS HA 1 18 VAL H . . 2.400 2.225 2.220 2.237 . 0 0 "[ . 1 . 2]" 1
150 1 17 CYS HA 1 18 VAL MG1 . . 4.640 3.343 3.236 3.439 . 0 0 "[ . 1 . 2]" 1
151 1 17 CYS HA 1 18 VAL MG2 . . 5.690 4.415 4.088 4.714 . 0 0 "[ . 1 . 2]" 1
152 1 17 CYS HA 1 19 CYS H . . 3.110 3.225 3.162 3.280 0.170 11 0 "[ . 1 . 2]" 1
153 1 17 CYS QB 1 19 CYS H . . 4.010 3.567 3.488 3.727 . 0 0 "[ . 1 . 2]" 1
154 1 17 CYS QB 1 18 VAL H . . 3.610 3.955 3.883 4.003 0.393 7 0 "[ . 1 . 2]" 1
155 1 17 CYS QB 1 20 LYS H . . 3.700 3.588 3.283 3.937 0.237 7 0 "[ . 1 . 2]" 1
156 1 18 VAL H 1 18 VAL HA . . 2.860 2.894 2.885 2.920 0.060 11 0 "[ . 1 . 2]" 1
157 1 18 VAL H 1 18 VAL MG1 . . 3.430 1.910 1.856 2.022 . 0 0 "[ . 1 . 2]" 1
158 1 18 VAL H 1 18 VAL MG2 . . 3.640 2.579 2.266 2.844 . 0 0 "[ . 1 . 2]" 1
159 1 18 VAL H 1 19 CYS H . . 2.710 2.398 2.302 2.457 . 0 0 "[ . 1 . 2]" 1
160 1 18 VAL H 1 20 LYS H . . 4.290 4.269 4.151 4.342 0.052 14 0 "[ . 1 . 2]" 1
161 1 18 VAL HA 1 18 VAL HB . . 2.400 2.275 2.221 2.345 . 0 0 "[ . 1 . 2]" 1
162 1 18 VAL HA 1 18 VAL MG1 . . 3.430 2.626 2.527 2.760 . 0 0 "[ . 1 . 2]" 1
163 1 18 VAL HA 1 19 CYS H . . 3.390 3.233 3.198 3.275 . 0 0 "[ . 1 . 2]" 1
164 1 18 VAL HA 1 19 CYS HA . . 4.690 4.701 4.641 4.759 0.069 1 0 "[ . 1 . 2]" 1
165 1 18 VAL HA 1 20 LYS H . . 3.760 3.383 3.234 3.565 . 0 0 "[ . 1 . 2]" 1
166 1 18 VAL MG1 1 19 CYS H . . 4.950 3.816 3.670 3.960 . 0 0 "[ . 1 . 2]" 1
167 1 18 VAL MG1 1 20 LYS H . . 6.530 5.032 4.957 5.071 . 0 0 "[ . 1 . 2]" 1
168 1 18 VAL MG1 1 29 CYS QB . . 6.250 4.765 4.253 5.219 . 0 0 "[ . 1 . 2]" 1
169 1 18 VAL MG2 1 19 CYS H . . 4.920 3.036 2.850 3.227 . 0 0 "[ . 1 . 2]" 1
170 1 18 VAL MG2 1 19 CYS HA . . 6.000 3.325 3.282 3.449 . 0 0 "[ . 1 . 2]" 1
171 1 18 VAL MG2 1 28 CYS HB3 . . 6.530 3.820 3.591 4.049 . 0 0 "[ . 1 . 2]" 1
172 1 18 VAL MG2 1 29 CYS QB . . 6.530 3.585 3.528 3.722 . 0 0 "[ . 1 . 2]" 1
173 1 19 CYS H 1 19 CYS HA . . 2.900 2.933 2.903 2.959 0.059 11 0 "[ . 1 . 2]" 1
174 1 19 CYS H 1 19 CYS HB2 . . 2.770 2.645 2.055 2.749 . 0 0 "[ . 1 . 2]" 1
175 1 19 CYS H 1 19 CYS HB3 . . 3.610 3.602 3.282 3.661 0.051 11 0 "[ . 1 . 2]" 1
176 1 19 CYS H 1 20 LYS H . . 2.520 2.401 2.255 2.527 0.007 8 0 "[ . 1 . 2]" 1
177 1 19 CYS HA 1 19 CYS HB2 . . 2.960 3.022 2.906 3.040 0.080 5 0 "[ . 1 . 2]" 1
178 1 19 CYS HA 1 19 CYS HB3 . . 2.520 2.383 2.333 2.825 0.305 7 0 "[ . 1 . 2]" 1
179 1 19 CYS HA 1 20 LYS H . . 3.390 3.446 3.316 3.480 0.090 6 0 "[ . 1 . 2]" 1
180 1 19 CYS HB2 1 20 LYS H . . 3.390 3.448 3.362 3.732 0.342 8 0 "[ . 1 . 2]" 1
181 1 19 CYS HB2 1 20 LYS HA . . 4.790 4.242 4.111 5.164 0.374 7 0 "[ . 1 . 2]" 1
182 1 19 CYS HB3 1 20 LYS H . . 4.420 4.402 3.746 4.564 0.144 8 0 "[ . 1 . 2]" 1
183 1 19 CYS HB3 1 24 CYS HA . . 5.500 4.759 4.337 6.327 0.827 7 1 "[ . + 1 . 2]" 1
184 1 19 CYS HB3 1 24 CYS HB2 . . 4.970 3.591 2.473 5.183 0.213 7 0 "[ . 1 . 2]" 1
185 1 20 LYS H 1 20 LYS HA . . 2.770 2.794 2.665 2.884 0.114 7 0 "[ . 1 . 2]" 1
186 1 20 LYS H 1 20 LYS HB2 . . 2.400 2.051 2.022 2.113 . 0 0 "[ . 1 . 2]" 1
187 1 20 LYS H 1 20 LYS HG2 . . 4.570 4.266 3.756 4.599 0.029 19 0 "[ . 1 . 2]" 1
188 1 20 LYS H 1 20 LYS HG3 . . 4.140 4.040 3.778 4.283 0.143 4 0 "[ . 1 . 2]" 1
189 1 20 LYS HA 1 20 LYS HB2 . . 2.740 2.774 2.725 2.853 0.113 7 0 "[ . 1 . 2]" 1
190 1 20 LYS HA 1 20 LYS HB3 . . 2.930 2.929 2.867 2.961 0.031 16 0 "[ . 1 . 2]" 1
191 1 20 LYS HA 1 20 LYS HG2 . . 3.050 2.597 1.989 3.451 0.401 11 0 "[ . 1 . 2]" 1
192 1 20 LYS HB2 1 20 LYS HG2 . . 2.710 2.847 2.580 3.042 0.332 12 0 "[ . 1 . 2]" 1
193 1 20 LYS HB2 1 21 GLY H . . 4.760 3.966 3.036 4.656 . 0 0 "[ . 1 . 2]" 1
194 1 20 LYS HB3 1 21 GLY H . . 3.860 3.365 1.916 3.952 0.092 7 0 "[ . 1 . 2]" 1
195 1 21 GLY H 1 22 LYS H . . 3.330 3.174 2.650 3.417 0.087 17 0 "[ . 1 . 2]" 1
196 1 21 GLY HA3 1 22 LYS H . . 3.140 2.578 2.260 3.645 0.505 8 1 "[ . + 1 . 2]" 1
197 1 21 GLY HA2 1 22 LYS H . . 4.110 3.525 2.687 3.645 . 0 0 "[ . 1 . 2]" 1
198 1 22 LYS H 1 22 LYS QG . . 3.140 2.146 1.915 2.875 . 0 0 "[ . 1 . 2]" 1
199 1 22 LYS HA 1 22 LYS HB2 . . 2.430 2.438 2.309 2.579 0.149 8 0 "[ . 1 . 2]" 1
200 1 22 LYS HA 1 23 THR H . . 2.650 2.665 2.490 2.746 0.096 17 0 "[ . 1 . 2]" 1
201 1 22 LYS HA 1 23 THR HA . . 4.820 4.311 4.292 4.353 . 0 0 "[ . 1 . 2]" 1
202 1 22 LYS HB2 1 22 LYS QG . . 2.400 2.232 2.179 2.421 0.021 11 0 "[ . 1 . 2]" 1
203 1 22 LYS HB2 1 23 THR H . . 2.430 2.216 2.138 2.465 0.035 8 0 "[ . 1 . 2]" 1
204 1 22 LYS QG 1 23 THR H . . 3.980 3.129 2.375 3.901 . 0 0 "[ . 1 . 2]" 1
205 1 23 THR H 1 23 THR HB . . 2.400 2.144 2.017 2.335 . 0 0 "[ . 1 . 2]" 1
206 1 23 THR H 1 24 CYS H . . 3.890 3.406 3.148 3.683 . 0 0 "[ . 1 . 2]" 1
207 1 23 THR HA 1 23 THR MG . . 3.430 2.609 2.467 2.710 . 0 0 "[ . 1 . 2]" 1
208 1 23 THR HA 1 24 CYS H . . 3.580 3.534 3.394 3.584 0.004 13 0 "[ . 1 . 2]" 1
209 1 23 THR HB 1 24 CYS H . . 2.710 2.303 2.083 2.481 . 0 0 "[ . 1 . 2]" 1
210 1 23 THR MG 1 24 CYS H . . 4.260 1.856 1.822 1.916 . 0 0 "[ . 1 . 2]" 1
211 1 23 THR MG 1 24 CYS HB2 . . 6.530 3.021 2.633 4.189 . 0 0 "[ . 1 . 2]" 1
212 1 23 THR MG 1 24 CYS HB3 . . 6.530 3.068 2.813 3.431 . 0 0 "[ . 1 . 2]" 1
213 1 23 THR MG 1 25 ASP H . . 6.340 4.208 3.959 4.370 . 0 0 "[ . 1 . 2]" 1
214 1 23 THR MG 1 25 ASP HA . . 5.600 4.546 4.466 4.606 . 0 0 "[ . 1 . 2]" 1
215 1 23 THR MG 1 25 ASP QB . . 5.040 3.689 2.871 3.866 . 0 0 "[ . 1 . 2]" 1
216 1 24 CYS H 1 24 CYS HB3 . . 3.360 3.428 3.287 3.595 0.235 8 0 "[ . 1 . 2]" 1
217 1 24 CYS H 1 25 ASP H . . 3.270 2.953 2.719 3.193 . 0 0 "[ . 1 . 2]" 1
218 1 24 CYS HA 1 24 CYS HB2 . . 2.650 2.605 2.312 2.742 0.092 8 0 "[ . 1 . 2]" 1
219 1 24 CYS HA 1 24 CYS HB3 . . 2.860 2.988 2.941 3.023 0.163 11 0 "[ . 1 . 2]" 1
220 1 24 CYS HA 1 25 ASP H . . 2.400 2.388 2.252 2.464 0.064 8 0 "[ . 1 . 2]" 1
221 1 24 CYS HA 1 25 ASP HA . . 4.170 4.371 4.310 4.399 0.229 9 0 "[ . 1 . 2]" 1
222 1 24 CYS HA 1 28 CYS HA . . 4.760 4.527 4.437 4.586 . 0 0 "[ . 1 . 2]" 1
223 1 24 CYS HA 1 28 CYS HB3 . . 2.860 2.025 1.801 2.717 . 0 0 "[ . 1 . 2]" 1
224 1 24 CYS HB3 1 28 CYS HB3 . . 4.970 4.527 4.211 4.636 . 0 0 "[ . 1 . 2]" 1
225 1 25 ASP H 1 27 SER H . . 3.610 3.388 2.624 3.616 0.006 18 0 "[ . 1 . 2]" 1
226 1 25 ASP HA 1 25 ASP QB . . 2.400 2.203 2.202 2.204 . 0 0 "[ . 1 . 2]" 1
227 1 25 ASP HA 1 26 THR H . . 3.790 2.805 2.260 2.943 . 0 0 "[ . 1 . 2]" 1
228 1 25 ASP HA 1 26 THR HA . . 4.480 4.397 4.387 4.425 . 0 0 "[ . 1 . 2]" 1
229 1 25 ASP HA 1 26 THR HB . . 4.720 4.769 4.469 4.876 0.156 11 0 "[ . 1 . 2]" 1
230 1 25 ASP HA 1 28 CYS HB3 . . 4.320 4.343 4.234 4.528 0.208 10 0 "[ . 1 . 2]" 1
231 1 25 ASP HA 1 30 GLN HB2 . . 5.500 3.449 3.236 3.875 . 0 0 "[ . 1 . 2]" 1
232 1 25 ASP HA 1 30 GLN HB3 . . 4.040 4.489 4.173 4.862 0.822 20 8 "[ * . * 1 -* *** +]" 1
233 1 25 ASP HA 1 30 GLN QG . . 2.550 2.426 2.351 2.500 . 0 0 "[ . 1 . 2]" 1
234 1 25 ASP QB 1 26 THR H . . 3.390 2.058 1.861 3.600 0.210 17 0 "[ . 1 . 2]" 1
235 1 25 ASP QB 1 27 SER H . . 4.070 3.192 2.974 4.174 0.104 20 0 "[ . 1 . 2]" 1
236 1 25 ASP QB 1 30 GLN HB2 . . 5.500 4.342 4.119 5.041 . 0 0 "[ . 1 . 2]" 1
237 1 25 ASP QB 1 26 THR HA . . 4.850 4.474 4.391 5.136 0.286 17 0 "[ . 1 . 2]" 1
238 1 25 ASP QB 1 30 GLN QG . . 5.070 3.926 3.840 4.005 . 0 0 "[ . 1 . 2]" 1
239 1 26 THR HA 1 26 THR MG . . 3.430 2.801 2.440 2.869 . 0 0 "[ . 1 . 2]" 1
240 1 26 THR HA 1 28 CYS H . . 3.520 3.498 3.385 3.540 0.020 10 0 "[ . 1 . 2]" 1
241 1 26 THR HA 1 30 GLN HA . . 3.950 3.964 3.900 4.218 0.268 11 0 "[ . 1 . 2]" 1
242 1 26 THR HA 1 30 GLN HB3 . . 2.860 3.346 3.015 3.847 0.987 17 8 "[ * . * 1 -* **+ *]" 1
243 1 26 THR HA 1 30 GLN QG . . 4.140 3.577 3.372 3.773 . 0 0 "[ . 1 . 2]" 1
244 1 26 THR MG 1 27 SER H . . 5.600 3.337 2.993 3.664 . 0 0 "[ . 1 . 2]" 1
245 1 26 THR MG 1 27 SER HA . . 5.780 3.362 3.159 3.662 . 0 0 "[ . 1 . 2]" 1
246 1 26 THR MG 1 28 CYS H . . 6.470 4.498 4.256 4.569 . 0 0 "[ . 1 . 2]" 1
247 1 27 SER H 1 27 SER HA . . 2.860 2.901 2.859 2.915 0.055 13 0 "[ . 1 . 2]" 1
248 1 27 SER H 1 27 SER QB . . 2.650 2.359 2.261 2.410 . 0 0 "[ . 1 . 2]" 1
249 1 27 SER H 1 28 CYS H . . 2.520 2.534 2.365 2.667 0.147 17 0 "[ . 1 . 2]" 1
250 1 27 SER HA 1 27 SER QB . . 2.710 2.454 2.401 2.468 . 0 0 "[ . 1 . 2]" 1
251 1 27 SER HA 1 28 CYS H . . 3.170 3.125 3.061 3.246 0.076 10 0 "[ . 1 . 2]" 1
252 1 27 SER QB 1 28 CYS H . . 3.480 3.706 3.555 3.779 0.299 13 0 "[ . 1 . 2]" 1
253 1 28 CYS H 1 28 CYS HB2 . . 2.860 3.069 2.803 3.314 0.454 19 0 "[ . 1 . 2]" 1
254 1 28 CYS H 1 28 CYS HB3 . . 2.990 2.860 2.757 3.027 0.037 17 0 "[ . 1 . 2]" 1
255 1 28 CYS H 1 30 GLN H . . 2.930 3.023 2.815 3.132 0.202 19 0 "[ . 1 . 2]" 1
256 1 28 CYS HA 1 28 CYS HB2 . . 2.460 2.535 2.481 2.634 0.174 11 0 "[ . 1 . 2]" 1
257 1 28 CYS HA 1 28 CYS HB3 . . 2.900 3.018 2.994 3.026 0.126 9 0 "[ . 1 . 2]" 1
258 1 29 CYS H 1 29 CYS QB . . 3.480 2.748 2.507 3.438 . 0 0 "[ . 1 . 2]" 1
259 1 29 CYS HA 1 29 CYS QB . . 2.400 2.360 2.325 2.386 . 0 0 "[ . 1 . 2]" 1
260 1 29 CYS HA 1 30 GLN HA . . 4.970 4.654 4.521 4.700 . 0 0 "[ . 1 . 2]" 1
261 1 29 CYS QB 1 30 GLN HA . . 4.450 3.937 3.806 4.056 . 0 0 "[ . 1 . 2]" 1
262 1 29 CYS QB 1 30 GLN QG . . 4.600 3.459 3.152 3.729 . 0 0 "[ . 1 . 2]" 1
263 1 29 CYS QB 1 30 GLN HE22 . . 4.010 2.813 2.031 3.893 . 0 0 "[ . 1 . 2]" 1
264 1 29 CYS QB 1 30 GLN HE21 . . 3.890 2.888 2.043 4.744 0.854 8 4 "[ . + 1 - ** 2]" 1
265 1 29 CYS QB 1 30 GLN H . . 3.170 2.860 2.311 3.158 . 0 0 "[ . 1 . 2]" 1
266 1 30 GLN H 1 30 GLN HA . . 2.860 2.834 2.776 2.907 0.047 17 0 "[ . 1 . 2]" 1
267 1 30 GLN H 1 30 GLN HB2 . . 2.900 2.797 2.642 3.207 0.307 17 0 "[ . 1 . 2]" 1
268 1 30 GLN H 1 30 GLN HB3 . . 3.520 3.551 3.508 3.594 0.074 11 0 "[ . 1 . 2]" 1
269 1 30 GLN H 1 30 GLN QG . . 2.400 1.894 1.813 2.092 . 0 0 "[ . 1 . 2]" 1
270 1 30 GLN H 1 30 GLN HE21 . . 3.700 3.260 2.626 4.222 0.522 8 1 "[ . + 1 . 2]" 1
271 1 30 GLN HA 1 30 GLN HB3 . . 2.400 2.360 2.257 2.418 0.018 5 0 "[ . 1 . 2]" 1
272 1 30 GLN HA 1 30 GLN QG . . 3.270 3.234 3.106 3.419 0.149 17 0 "[ . 1 . 2]" 1
273 1 30 GLN HA 1 30 GLN HE22 . . 4.320 3.990 3.050 5.139 0.819 17 2 "[ . 1 . + -]" 1
274 1 30 GLN HB2 1 30 GLN QG . . 2.590 2.204 2.200 2.207 . 0 0 "[ . 1 . 2]" 1
275 1 30 GLN HB2 1 30 GLN HE22 . . 5.500 5.239 4.834 5.431 . 0 0 "[ . 1 . 2]" 1
276 1 30 GLN HB3 1 30 GLN QG . . 2.770 2.337 2.299 2.391 . 0 0 "[ . 1 . 2]" 1
277 1 30 GLN HB3 1 30 GLN HE22 . . 5.500 4.588 3.608 4.933 . 0 0 "[ . 1 . 2]" 1
278 1 30 GLN HE22 1 30 GLN QG . . 3.390 3.281 3.232 3.484 0.094 13 0 "[ . 1 . 2]" 1
279 1 30 GLN HE21 1 30 GLN QG . . 2.550 2.233 2.085 2.686 0.136 13 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 24
_Distance_constraint_stats_list.Viol_count 297
_Distance_constraint_stats_list.Viol_total 1322.568
_Distance_constraint_stats_list.Viol_max 0.374
_Distance_constraint_stats_list.Viol_rms 0.1408
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1378
_Distance_constraint_stats_list.Viol_average_violations_only 0.2227
_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 CYS 9.353 0.332 12 0 "[ . 1 . 2]"
1 3 CYS 18.963 0.347 5 0 "[ . 1 . 2]"
1 5 CYS 8.681 0.360 10 0 "[ . 1 . 2]"
1 6 CYS 14.789 0.374 14 0 "[ . 1 . 2]"
1 10 CYS 8.923 0.317 10 0 "[ . 1 . 2]"
1 13 CYS 26.196 0.374 14 0 "[ . 1 . 2]"
1 17 CYS 7.593 0.322 3 0 "[ . 1 . 2]"
1 19 CYS 10.475 0.326 20 0 "[ . 1 . 2]"
1 24 CYS 7.481 0.328 20 0 "[ . 1 . 2]"
1 28 CYS 11.336 0.326 20 0 "[ . 1 . 2]"
1 29 CYS 8.467 0.328 20 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 2 CYS SG 1 3 CYS SG . . 3.900 4.138 3.887 4.232 0.332 12 0 "[ . 1 . 2]" 2
2 1 2 CYS SG 1 13 CYS SG . . 3.900 4.050 3.882 4.203 0.303 19 0 "[ . 1 . 2]" 2
3 1 2 CYS SG 1 17 CYS SG . . 3.900 3.970 3.884 4.214 0.314 8 0 "[ . 1 . 2]" 2
4 1 3 CYS SG 1 5 CYS SG . . 3.900 4.072 3.852 4.222 0.322 7 0 "[ . 1 . 2]" 2
5 1 3 CYS SG 1 6 CYS SG . . 3.900 3.856 3.805 3.890 . 0 0 "[ . 1 . 2]" 2
6 1 3 CYS SG 1 13 CYS SG . . 3.900 4.155 4.016 4.247 0.347 5 0 "[ . 1 . 2]" 2
7 1 3 CYS SG 1 17 CYS SG . . 3.900 4.160 3.894 4.222 0.322 3 0 "[ . 1 . 2]" 2
8 1 3 CYS SG 1 19 CYS SG . . 3.900 3.894 3.852 4.048 0.148 7 0 "[ . 1 . 2]" 2
9 1 5 CYS SG 1 6 CYS SG . . 3.900 4.009 3.861 4.260 0.360 10 0 "[ . 1 . 2]" 2
10 1 5 CYS SG 1 19 CYS SG . . 3.900 4.023 3.869 4.198 0.298 5 0 "[ . 1 . 2]" 2
11 1 6 CYS SG 1 10 CYS SG . . 3.900 4.095 3.897 4.217 0.317 10 0 "[ . 1 . 2]" 2
12 1 6 CYS SG 1 13 CYS SG . . 3.900 4.223 4.142 4.274 0.374 14 0 "[ . 1 . 2]" 2
13 1 6 CYS SG 1 19 CYS SG . . 3.900 3.945 3.884 4.210 0.310 7 0 "[ . 1 . 2]" 2
14 1 6 CYS SG 1 29 CYS SG . . 3.900 3.945 3.873 4.060 0.160 2 0 "[ . 1 . 2]" 2
15 1 10 CYS SG 1 13 CYS SG . . 3.900 4.150 3.893 4.209 0.309 15 0 "[ . 1 . 2]" 2
16 1 10 CYS SG 1 29 CYS SG . . 3.900 3.878 3.859 3.897 . 0 0 "[ . 1 . 2]" 2
17 1 13 CYS SG 1 17 CYS SG . . 3.900 3.939 3.887 4.073 0.173 12 0 "[ . 1 . 2]" 2
18 1 13 CYS SG 1 29 CYS SG . . 3.900 4.188 4.127 4.221 0.321 5 0 "[ . 1 . 2]" 2
19 1 19 CYS SG 1 24 CYS SG . . 3.900 3.945 3.879 4.206 0.306 1 0 "[ . 1 . 2]" 2
20 1 19 CYS SG 1 28 CYS SG . . 3.900 4.178 4.033 4.226 0.326 20 0 "[ . 1 . 2]" 2
21 1 19 CYS SG 1 29 CYS SG . . 3.900 3.904 3.872 4.217 0.317 7 0 "[ . 1 . 2]" 2
22 1 24 CYS SG 1 28 CYS SG . . 3.900 4.172 3.889 4.214 0.314 18 0 "[ . 1 . 2]" 2
23 1 24 CYS SG 1 29 CYS SG . . 3.900 3.949 3.884 4.228 0.328 20 0 "[ . 1 . 2]" 2
24 1 28 CYS SG 1 29 CYS SG . . 3.900 3.910 3.878 4.024 0.124 17 0 "[ . 1 . 2]" 2
stop_
save_
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