NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570445 |
2m1t   |
18879 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m1t
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 285
_Distance_constraint_stats_list.Viol_count 270
_Distance_constraint_stats_list.Viol_total 198.015
_Distance_constraint_stats_list.Viol_max 1.279
_Distance_constraint_stats_list.Viol_rms 0.0637
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0193
_Distance_constraint_stats_list.Viol_average_violations_only 0.1222
_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 ASP 1.029 0.130 6 0 "[ . ]"
1 2 THR 2.868 1.279 4 1 "[ +. ]"
1 3 LEU 3.031 0.300 1 0 "[ . ]"
1 4 LEU 2.019 0.248 5 0 "[ . ]"
1 5 GLY 6.635 0.413 4 0 "[ . ]"
1 6 ARG 8.941 1.279 4 1 "[ +. ]"
1 7 ILE 6.028 0.316 1 0 "[ . ]"
1 8 LEU 2.338 0.211 3 0 "[ . ]"
1 9 PRO 0.236 0.086 6 0 "[ . ]"
1 10 GLN 6.370 0.316 1 0 "[ . ]"
1 11 LEU 5.833 0.393 1 0 "[ . ]"
1 12 VAL 4.956 0.393 1 0 "[ . ]"
1 13 CYS 1.081 0.190 3 0 "[ . ]"
1 14 ARG 2.017 0.224 4 0 "[ . ]"
1 15 LEU 1.019 0.262 5 0 "[ . ]"
1 16 VAL 0.114 0.050 1 0 "[ . ]"
1 17 LEU 0.000 0.000 . 0 "[ . ]"
1 18 ARG 1.930 0.250 6 0 "[ . ]"
1 19 CYS 1.252 0.214 1 0 "[ . ]"
1 20 SER 0.769 0.229 3 0 "[ . ]"
1 21 ILE 0.894 0.166 3 0 "[ . ]"
1 22 ASP 2.347 0.250 6 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 2 THR H 1 2 THR HA 2.900 . 3.800 2.927 2.806 2.968 . 0 0 "[ . ]" 1
2 1 6 ARG QD 1 6 ARG HE 2.900 . 3.800 2.413 2.245 2.505 . 0 0 "[ . ]" 1
3 1 2 THR H 1 2 THR HB 2.900 . 3.800 3.742 3.649 3.855 0.055 3 0 "[ . ]" 1
4 1 14 ARG QD 1 14 ARG HE 2.900 . 3.800 2.235 2.208 2.248 . 0 0 "[ . ]" 1
5 1 18 ARG QD 1 18 ARG HE 2.900 . 3.800 2.286 2.241 2.506 . 0 0 "[ . ]" 1
6 1 4 LEU H 1 4 LEU QB 2.900 . 3.800 3.413 3.369 3.441 . 0 0 "[ . ]" 1
7 1 22 ASP H 1 22 ASP HA 2.900 . 3.800 2.319 2.303 2.334 . 0 0 "[ . ]" 1
8 1 6 ARG H 1 6 ARG QB 2.900 . 3.800 2.534 2.485 2.611 . 0 0 "[ . ]" 1
9 1 16 VAL H 1 16 VAL MG2 2.900 . 3.800 2.528 2.323 2.885 . 0 0 "[ . ]" 1
10 1 8 LEU H 1 8 LEU MD1 2.900 . 3.800 3.604 3.567 3.666 . 0 0 "[ . ]" 1
11 1 3 LEU H 1 3 LEU HG 2.900 . 3.800 3.287 2.930 3.957 0.157 3 0 "[ . ]" 1
12 1 7 ILE H 1 7 ILE HB 2.900 . 3.800 2.812 2.781 2.851 . 0 0 "[ . ]" 1
13 1 7 ILE H 1 7 ILE MG 2.900 . 3.800 3.920 3.906 3.941 0.141 4 0 "[ . ]" 1
14 1 11 LEU H 1 11 LEU MD1 2.900 . 3.800 3.211 1.983 3.475 0.017 1 0 "[ . ]" 1
15 1 20 SER H 1 20 SER HA 2.900 . 3.800 2.833 2.797 2.919 . 0 0 "[ . ]" 1
16 1 14 ARG H 1 14 ARG QB 2.900 . 3.800 2.289 2.245 2.334 . 0 0 "[ . ]" 1
17 1 8 LEU H 1 8 LEU MD2 2.900 . 3.800 2.654 2.417 2.879 . 0 0 "[ . ]" 1
18 1 21 ILE H 1 21 ILE HB 2.900 . 3.800 3.281 2.611 3.941 0.141 1 0 "[ . ]" 1
19 1 8 LEU H 1 8 LEU QB 2.900 . 3.800 3.032 3.000 3.088 . 0 0 "[ . ]" 1
20 1 7 ILE H 1 7 ILE MD 2.900 . 3.800 3.888 3.389 4.076 0.276 4 0 "[ . ]" 1
21 1 5 GLY H 1 5 GLY QA 2.900 . 3.800 2.475 2.468 2.485 . 0 0 "[ . ]" 1
22 1 22 ASP H 1 22 ASP QB 2.900 . 3.800 3.061 2.779 3.346 . 0 0 "[ . ]" 1
23 1 19 CYS H 1 19 CYS HA 2.900 . 3.800 2.891 2.803 2.973 . 0 0 "[ . ]" 1
24 1 11 LEU H 1 11 LEU QB 2.900 . 3.800 2.356 2.181 2.407 . 0 0 "[ . ]" 1
25 1 6 ARG QB 1 6 ARG HE 2.900 . 3.800 2.621 1.969 3.883 0.083 2 0 "[ . ]" 1
26 1 20 SER H 1 20 SER QB 2.900 . 3.800 2.419 2.252 2.670 . 0 0 "[ . ]" 1
27 1 14 ARG H 1 14 ARG QG 2.900 . 3.800 3.551 2.996 3.828 0.028 1 0 "[ . ]" 1
28 1 19 CYS H 1 19 CYS QB 2.900 . 3.800 2.364 2.233 2.494 . 0 0 "[ . ]" 1
29 1 3 LEU H 1 3 LEU QB 2.900 . 3.800 3.326 3.042 3.466 . 0 0 "[ . ]" 1
30 1 18 ARG H 1 18 ARG HA 2.900 . 3.800 2.836 2.800 2.897 . 0 0 "[ . ]" 1
31 1 4 LEU H 1 4 LEU MD1 3.250 . 4.500 2.494 2.044 2.920 . 0 0 "[ . ]" 1
32 1 12 VAL H 1 12 VAL MG2 3.250 . 4.500 1.972 1.958 1.983 0.042 4 0 "[ . ]" 1
33 1 2 THR H 1 2 THR MG 3.250 . 4.500 2.695 2.469 3.022 . 0 0 "[ . ]" 1
34 1 13 CYS H 1 13 CYS QB 3.250 . 4.500 2.673 2.583 2.751 . 0 0 "[ . ]" 1
35 1 3 LEU H 1 3 LEU MD2 3.250 . 4.500 3.139 2.534 4.241 . 0 0 "[ . ]" 1
36 1 14 ARG H 1 14 ARG QD 3.250 . 4.500 2.772 2.600 3.040 . 0 0 "[ . ]" 1
37 1 14 ARG HE 1 14 ARG QG 3.250 . 4.500 3.114 3.070 3.176 . 0 0 "[ . ]" 1
38 1 4 LEU H 1 4 LEU MD2 3.250 . 4.500 4.195 4.112 4.250 . 0 0 "[ . ]" 1
39 1 21 ILE H 1 21 ILE MD 3.250 . 4.500 4.241 3.797 4.539 0.039 2 0 "[ . ]" 1
40 1 6 ARG HE 1 6 ARG QG 3.250 . 4.500 2.811 2.086 3.324 . 0 0 "[ . ]" 1
41 1 11 LEU H 1 11 LEU MD2 3.250 . 4.500 3.460 3.393 3.717 . 0 0 "[ . ]" 1
42 1 21 ILE H 1 21 ILE MG 3.250 . 4.500 2.349 1.999 2.734 0.001 2 0 "[ . ]" 1
43 1 8 LEU H 1 8 LEU HG 3.250 . 4.500 1.865 1.803 1.967 0.197 4 0 "[ . ]" 1
44 1 18 ARG H 1 18 ARG QG 3.250 . 4.500 3.978 3.944 4.077 . 0 0 "[ . ]" 1
45 1 6 ARG H 1 6 ARG QG 3.250 . 4.500 3.926 3.122 4.247 . 0 0 "[ . ]" 1
46 1 18 ARG HE 1 18 ARG QG 3.250 . 4.500 3.085 2.452 3.254 . 0 0 "[ . ]" 1
47 1 4 LEU H 1 4 LEU HG 3.250 . 4.500 2.649 2.618 2.682 . 0 0 "[ . ]" 1
48 1 18 ARG H 1 18 ARG QB 3.250 . 4.500 2.257 2.243 2.285 . 0 0 "[ . ]" 1
49 1 12 VAL H 1 12 VAL MG1 3.250 . 4.500 2.564 2.499 2.665 . 0 0 "[ . ]" 1
50 1 21 ILE H 1 21 ILE QG 3.250 . 4.500 3.238 2.059 4.045 . 0 0 "[ . ]" 1
51 1 11 LEU H 1 11 LEU HG 3.250 . 4.500 2.451 2.148 3.881 . 0 0 "[ . ]" 1
52 1 14 ARG QB 1 14 ARG HE 3.250 . 4.500 2.710 2.412 3.331 . 0 0 "[ . ]" 1
53 1 7 ILE H 1 7 ILE QG 3.250 . 4.500 2.548 2.478 2.628 . 0 0 "[ . ]" 1
54 1 12 VAL H 1 12 VAL HB 3.250 . 4.500 3.658 3.652 3.664 . 0 0 "[ . ]" 1
55 1 16 VAL H 1 16 VAL HB 3.250 . 4.500 2.511 2.482 2.567 . 0 0 "[ . ]" 1
56 1 18 ARG QB 1 18 ARG HE 3.250 . 4.500 2.326 2.001 2.440 . 0 0 "[ . ]" 1
57 1 10 GLN H 1 10 GLN QB 3.500 . 5.000 2.200 2.150 2.275 . 0 0 "[ . ]" 1
58 1 14 ARG HA 1 14 ARG HE 3.500 . 5.000 4.470 4.343 4.563 . 0 0 "[ . ]" 1
59 1 18 ARG HA 1 18 ARG HE 3.500 . 5.000 4.495 3.549 5.120 0.120 3 0 "[ . ]" 1
60 1 18 ARG H 1 18 ARG QD 3.500 . 5.000 4.627 4.301 4.739 . 0 0 "[ . ]" 1
61 1 10 GLN HE21 1 10 GLN QG 3.500 . 5.000 2.396 2.180 2.461 . 0 0 "[ . ]" 1
62 1 14 ARG H 1 14 ARG HE 3.500 . 5.000 2.850 2.241 3.178 . 0 0 "[ . ]" 1
63 1 10 GLN H 1 10 GLN QG 3.500 . 5.000 2.861 2.531 3.994 . 0 0 "[ . ]" 1
64 1 10 GLN HE22 1 10 GLN QG 3.500 . 5.000 3.361 3.279 3.385 . 0 0 "[ . ]" 1
65 1 16 VAL H 1 16 VAL MG1 3.500 . 5.000 3.797 3.781 3.816 . 0 0 "[ . ]" 1
66 1 10 GLN H 1 10 GLN QE 3.500 . 5.000 5.066 5.038 5.162 0.162 4 0 "[ . ]" 1
67 1 18 ARG H 1 18 ARG HE 4.000 . 6.000 4.617 4.117 4.812 . 0 0 "[ . ]" 1
68 1 10 GLN QB 1 10 GLN HE21 4.000 . 6.000 2.671 2.378 3.780 . 0 0 "[ . ]" 1
69 1 10 GLN H 1 10 GLN HE22 4.000 . 6.000 6.059 6.012 6.120 0.120 3 0 "[ . ]" 1
70 1 10 GLN HA 1 10 GLN HE21 4.000 . 6.000 4.568 3.971 4.774 . 0 0 "[ . ]" 1
71 1 10 GLN H 1 10 GLN HE21 4.000 . 6.000 5.432 5.364 5.591 . 0 0 "[ . ]" 1
72 1 10 GLN QB 1 10 GLN HE22 4.000 . 6.000 3.550 3.395 4.075 . 0 0 "[ . ]" 1
73 1 10 GLN HA 1 10 GLN HE22 4.000 . 6.000 5.818 5.154 5.996 . 0 0 "[ . ]" 1
74 1 21 ILE HA 1 22 ASP H 2.900 . 3.800 3.345 2.970 3.492 . 0 0 "[ . ]" 1
75 1 2 THR HA 1 3 LEU H 2.900 . 3.800 2.164 2.147 2.194 . 0 0 "[ . ]" 1
76 1 20 SER HA 1 21 ILE H 2.900 . 3.800 3.427 2.774 3.562 . 0 0 "[ . ]" 1
77 1 18 ARG HA 1 19 CYS H 2.900 . 3.800 3.461 3.198 3.556 . 0 0 "[ . ]" 1
78 1 19 CYS HA 1 20 SER H 2.900 . 3.800 3.551 3.508 3.574 . 0 0 "[ . ]" 1
79 1 7 ILE HB 1 8 LEU H 2.900 . 3.800 2.097 2.010 2.196 . 0 0 "[ . ]" 1
80 1 17 LEU HA 1 18 ARG H 2.900 . 3.800 3.515 3.444 3.541 . 0 0 "[ . ]" 1
81 1 6 ARG H 1 7 ILE H 3.250 . 4.500 1.837 1.812 1.871 0.188 6 0 "[ . ]" 1
82 1 1 ASP QB 1 2 THR H 3.250 . 4.500 3.468 2.578 4.031 . 0 0 "[ . ]" 1
83 1 5 GLY H 1 6 ARG H 3.250 . 4.500 1.626 1.587 1.652 0.413 4 0 "[ . ]" 1
84 1 12 VAL MG2 1 13 CYS H 3.250 . 4.500 3.610 3.539 3.720 . 0 0 "[ . ]" 1
85 1 11 LEU H 1 12 VAL MG2 3.250 . 4.500 3.795 3.775 3.843 . 0 0 "[ . ]" 1
86 1 4 LEU HA 1 5 GLY H 3.250 . 4.500 2.488 2.430 2.578 . 0 0 "[ . ]" 1
87 1 20 SER QB 1 21 ILE H 3.250 . 4.500 2.933 2.415 4.046 . 0 0 "[ . ]" 1
88 1 19 CYS QB 1 20 SER H 3.250 . 4.500 2.478 2.285 2.865 . 0 0 "[ . ]" 1
89 1 14 ARG H 1 15 LEU H 3.250 . 4.500 2.279 2.148 2.532 . 0 0 "[ . ]" 1
90 1 21 ILE H 1 22 ASP H 3.250 . 4.500 2.191 1.921 2.864 0.079 2 0 "[ . ]" 1
91 1 21 ILE HB 1 22 ASP H 3.250 . 4.500 4.137 3.840 4.462 . 0 0 "[ . ]" 1
92 1 7 ILE H 1 8 LEU HG 3.250 . 4.500 4.139 4.006 4.204 . 0 0 "[ . ]" 1
93 1 13 CYS QB 1 14 ARG H 3.250 . 4.500 2.361 2.079 2.534 . 0 0 "[ . ]" 1
94 1 4 LEU QB 1 5 GLY H 3.250 . 4.500 3.946 3.924 3.976 . 0 0 "[ . ]" 1
95 1 20 SER H 1 21 ILE H 3.250 . 4.500 2.825 2.675 3.181 . 0 0 "[ . ]" 1
96 1 2 THR MG 1 3 LEU H 3.250 . 4.500 3.896 3.774 4.270 . 0 0 "[ . ]" 1
97 1 10 GLN QB 1 11 LEU H 3.250 . 4.500 3.297 2.349 3.507 . 0 0 "[ . ]" 1
98 1 21 ILE MG 1 22 ASP H 3.250 . 4.500 3.184 1.969 4.252 0.031 6 0 "[ . ]" 1
99 1 5 GLY QA 1 6 ARG H 3.250 . 4.500 2.914 2.908 2.918 . 0 0 "[ . ]" 1
100 1 16 VAL HA 1 17 LEU H 3.250 . 4.500 3.587 3.583 3.596 . 0 0 "[ . ]" 1
101 1 14 ARG HA 1 15 LEU H 3.250 . 4.500 3.438 3.384 3.523 . 0 0 "[ . ]" 1
102 1 4 LEU H 1 5 GLY QA 3.250 . 4.500 3.771 3.748 3.806 . 0 0 "[ . ]" 1
103 1 12 VAL MG1 1 13 CYS H 3.250 . 4.500 4.321 4.306 4.357 . 0 0 "[ . ]" 1
104 1 7 ILE H 1 8 LEU H 3.250 . 4.500 2.499 2.410 2.600 . 0 0 "[ . ]" 1
105 1 15 LEU HA 1 16 VAL H 3.250 . 4.500 3.495 3.374 3.550 . 0 0 "[ . ]" 1
106 1 18 ARG QG 1 19 CYS H 3.250 . 4.500 3.854 3.576 4.497 . 0 0 "[ . ]" 1
107 1 12 VAL HB 1 13 CYS H 3.250 . 4.500 4.441 4.420 4.455 . 0 0 "[ . ]" 1
108 1 4 LEU MD1 1 5 GLY H 3.250 . 4.500 3.801 3.524 3.909 . 0 0 "[ . ]" 1
109 1 8 LEU H 1 9 PRO QD 3.250 . 4.500 2.001 1.914 2.243 0.086 6 0 "[ . ]" 1
110 1 18 ARG QB 1 19 CYS H 3.250 . 4.500 2.799 2.481 3.492 . 0 0 "[ . ]" 1
111 1 4 LEU H 1 5 GLY H 3.250 . 4.500 2.499 2.332 2.607 . 0 0 "[ . ]" 1
112 1 10 GLN QG 1 11 LEU H 3.250 . 4.500 2.638 2.352 3.816 . 0 0 "[ . ]" 1
113 1 4 LEU HG 1 5 GLY H 3.250 . 4.500 4.688 4.574 4.748 0.248 5 0 "[ . ]" 1
114 1 12 VAL H 1 13 CYS H 3.250 . 4.500 2.906 2.841 3.050 . 0 0 "[ . ]" 1
115 1 6 ARG H 1 7 ILE HA 3.250 . 4.500 4.553 4.518 4.578 0.078 2 0 "[ . ]" 1
116 1 7 ILE HA 1 8 LEU H 3.250 . 4.500 3.612 3.596 3.621 . 0 0 "[ . ]" 1
117 1 3 LEU H 1 4 LEU H 3.250 . 4.500 2.572 2.460 2.687 . 0 0 "[ . ]" 1
118 1 13 CYS H 1 14 ARG H 3.250 . 4.500 2.031 1.960 2.219 0.040 3 0 "[ . ]" 1
119 1 6 ARG HA 1 7 ILE H 3.250 . 4.500 3.337 3.309 3.362 . 0 0 "[ . ]" 1
120 1 18 ARG H 1 19 CYS H 3.250 . 4.500 2.645 2.455 2.748 . 0 0 "[ . ]" 1
121 1 2 THR H 1 3 LEU H 3.250 . 4.500 4.272 3.534 4.512 0.012 2 0 "[ . ]" 1
122 1 11 LEU H 1 12 VAL H 3.250 . 4.500 2.633 2.614 2.677 . 0 0 "[ . ]" 1
123 1 11 LEU H 1 12 VAL MG1 3.250 . 4.500 4.443 4.378 4.505 0.005 4 0 "[ . ]" 1
124 1 11 LEU MD2 1 12 VAL H 3.250 . 4.500 4.638 4.493 4.673 0.173 4 0 "[ . ]" 1
125 1 3 LEU HA 1 4 LEU H 3.250 . 4.500 3.212 3.131 3.285 . 0 0 "[ . ]" 1
126 1 13 CYS H 1 14 ARG QB 3.250 . 4.500 4.017 3.975 4.058 . 0 0 "[ . ]" 1
127 1 21 ILE QG 1 22 ASP H 3.250 . 4.500 3.547 2.756 4.106 . 0 0 "[ . ]" 1
128 1 11 LEU HA 1 12 VAL H 3.250 . 4.500 3.510 3.502 3.515 . 0 0 "[ . ]" 1
129 1 10 GLN H 1 11 LEU H 3.250 . 4.500 2.543 2.442 2.692 . 0 0 "[ . ]" 1
130 1 11 LEU HG 1 12 VAL H 3.250 . 4.500 4.378 4.251 4.893 0.393 1 0 "[ . ]" 1
131 1 6 ARG H 1 7 ILE QG 3.500 . 5.000 3.082 2.911 3.166 . 0 0 "[ . ]" 1
132 1 1 ASP HA 1 2 THR H 3.500 . 5.000 3.065 2.482 3.548 . 0 0 "[ . ]" 1
133 1 12 VAL HA 1 13 CYS H 3.500 . 5.000 2.889 2.795 2.968 . 0 0 "[ . ]" 1
134 1 13 CYS HA 1 14 ARG H 3.500 . 5.000 3.562 3.550 3.568 . 0 0 "[ . ]" 1
135 1 11 LEU H 1 12 VAL HA 3.500 . 5.000 5.268 5.257 5.293 0.293 1 0 "[ . ]" 1
136 1 7 ILE QG 1 8 LEU H 3.500 . 5.000 3.710 3.547 3.749 . 0 0 "[ . ]" 1
137 1 3 LEU H 1 4 LEU HG 3.500 . 5.000 4.530 4.433 4.627 . 0 0 "[ . ]" 1
138 1 20 SER H 1 21 ILE MG 3.500 . 5.000 4.440 4.153 5.007 0.007 1 0 "[ . ]" 1
139 1 13 CYS H 1 14 ARG HA 3.500 . 5.000 4.585 4.517 4.653 . 0 0 "[ . ]" 1
140 1 7 ILE H 1 8 LEU HA 4.000 . 6.000 4.816 4.792 4.841 . 0 0 "[ . ]" 1
141 1 21 ILE H 1 22 ASP HA 4.000 . 6.000 4.468 4.178 5.158 . 0 0 "[ . ]" 1
142 1 6 ARG HE 1 7 ILE H 4.000 . 6.000 5.226 4.404 5.967 . 0 0 "[ . ]" 1
143 1 10 GLN H 1 11 LEU MD2 4.000 . 6.000 5.189 5.014 5.461 . 0 0 "[ . ]" 1
144 1 5 GLY H 1 6 ARG HA 4.000 . 6.000 4.352 4.320 4.375 . 0 0 "[ . ]" 1
145 1 6 ARG QD 1 7 ILE H 4.000 . 6.000 5.492 5.190 5.813 . 0 0 "[ . ]" 1
146 1 2 THR H 1 3 LEU QB 4.000 . 6.000 4.765 4.455 4.968 . 0 0 "[ . ]" 1
147 1 9 PRO QD 1 10 GLN H 4.000 . 6.000 2.451 2.339 2.658 . 0 0 "[ . ]" 1
148 1 18 ARG HE 1 19 CYS H 4.000 . 6.000 5.590 4.773 6.092 0.092 5 0 "[ . ]" 1
149 1 1 ASP QB 1 2 THR MG 4.000 . 6.000 3.346 2.716 4.150 . 0 0 "[ . ]" 1
150 1 19 CYS H 1 20 SER QB 4.000 . 6.000 4.444 3.842 5.123 . 0 0 "[ . ]" 1
151 1 20 SER H 1 22 ASP H 3.250 . 4.500 3.659 3.240 3.949 . 0 0 "[ . ]" 1
152 1 2 THR HA 1 4 LEU H 3.250 . 4.500 3.139 2.994 3.525 . 0 0 "[ . ]" 1
153 1 14 ARG HA 1 18 ARG H 3.250 . 4.500 3.526 3.394 3.686 . 0 0 "[ . ]" 1
154 1 3 LEU HA 1 7 ILE H 3.250 . 4.500 4.573 4.495 4.639 0.139 1 0 "[ . ]" 1
155 1 3 LEU H 1 7 ILE MD 3.250 . 4.500 3.012 2.690 3.216 . 0 0 "[ . ]" 1
156 1 3 LEU HA 1 6 ARG H 3.250 . 4.500 4.488 4.406 4.534 0.034 1 0 "[ . ]" 1
157 1 3 LEU HA 1 6 ARG QB 3.250 . 4.500 4.417 4.199 4.581 0.081 6 0 "[ . ]" 1
158 1 20 SER HA 1 22 ASP H 3.250 . 4.500 4.543 4.107 4.729 0.229 3 0 "[ . ]" 1
159 1 10 GLN HA 1 14 ARG H 3.250 . 4.500 3.812 3.569 4.004 . 0 0 "[ . ]" 1
160 1 12 VAL HA 1 15 LEU QB 3.250 . 4.500 3.847 3.617 3.939 . 0 0 "[ . ]" 1
161 1 19 CYS H 1 22 ASP H 3.250 . 4.500 4.066 3.371 4.604 0.104 1 0 "[ . ]" 1
162 1 19 CYS HA 1 21 ILE H 3.250 . 4.500 4.453 3.703 4.666 0.166 3 0 "[ . ]" 1
163 1 11 LEU HA 1 14 ARG H 3.250 . 4.500 4.012 3.781 4.203 . 0 0 "[ . ]" 1
164 1 4 LEU H 1 7 ILE H 3.250 . 4.500 4.075 3.861 4.187 . 0 0 "[ . ]" 1
165 1 18 ARG HA 1 22 ASP H 3.250 . 4.500 3.495 3.032 4.267 . 0 0 "[ . ]" 1
166 1 10 GLN QG 1 13 CYS H 3.250 . 4.500 4.641 4.598 4.690 0.190 3 0 "[ . ]" 1
167 1 4 LEU HA 1 7 ILE HB 3.250 . 4.500 4.616 4.540 4.732 0.232 3 0 "[ . ]" 1
168 1 16 VAL H 1 18 ARG QB 3.250 . 4.500 4.251 4.045 4.550 0.050 4 0 "[ . ]" 1
169 1 16 VAL H 1 18 ARG H 3.250 . 4.500 3.428 3.112 3.659 . 0 0 "[ . ]" 1
170 1 4 LEU HA 1 8 LEU H 3.250 . 4.500 3.842 3.669 3.986 . 0 0 "[ . ]" 1
171 1 8 LEU QB 1 10 GLN H 3.250 . 4.500 4.392 4.328 4.425 . 0 0 "[ . ]" 1
172 1 2 THR HA 1 5 GLY H 3.250 . 4.500 4.446 4.161 4.772 0.272 4 0 "[ . ]" 1
173 1 8 LEU H 1 10 GLN QB 3.250 . 4.500 4.009 3.825 4.081 . 0 0 "[ . ]" 1
174 1 7 ILE HA 1 10 GLN H 3.250 . 4.500 4.762 4.643 4.816 0.316 1 0 "[ . ]" 1
175 1 8 LEU HA 1 11 LEU H 3.250 . 4.500 4.235 3.953 4.387 . 0 0 "[ . ]" 1
176 1 2 THR HA 1 6 ARG H 3.250 . 4.500 3.521 3.238 3.913 . 0 0 "[ . ]" 1
177 1 10 GLN QB 1 12 VAL H 3.500 . 5.000 4.995 4.565 5.140 0.140 1 0 "[ . ]" 1
178 1 10 GLN QB 1 13 CYS H 3.500 . 5.000 4.909 4.809 5.112 0.112 4 0 "[ . ]" 1
179 1 8 LEU HA 1 11 LEU QB 3.500 . 5.000 4.647 4.163 4.909 . 0 0 "[ . ]" 1
180 1 8 LEU H 1 11 LEU H 3.500 . 5.000 5.164 5.058 5.211 0.211 3 0 "[ . ]" 1
181 1 16 VAL HB 1 18 ARG H 3.500 . 5.000 4.622 4.460 4.732 . 0 0 "[ . ]" 1
182 1 5 GLY H 1 8 LEU HG 3.500 . 5.000 4.524 4.185 4.691 . 0 0 "[ . ]" 1
183 1 19 CYS QB 1 21 ILE H 3.500 . 5.000 4.757 4.546 5.024 0.024 2 0 "[ . ]" 1
184 1 13 CYS H 1 16 VAL H 3.500 . 5.000 3.224 3.087 3.342 . 0 0 "[ . ]" 1
185 1 14 ARG H 1 18 ARG H 3.500 . 5.000 4.816 4.694 4.960 . 0 0 "[ . ]" 1
186 1 18 ARG H 1 22 ASP H 3.500 . 5.000 5.052 4.699 5.211 0.211 6 0 "[ . ]" 1
187 1 3 LEU HA 1 5 GLY H 3.500 . 5.000 4.568 4.450 4.644 . 0 0 "[ . ]" 1
188 1 20 SER QB 1 22 ASP H 3.500 . 5.000 4.353 3.875 5.048 0.048 6 0 "[ . ]" 1
189 1 2 THR H 1 6 ARG QB 3.500 . 5.000 4.378 3.357 5.046 0.046 2 0 "[ . ]" 1
190 1 4 LEU H 1 7 ILE QG 3.500 . 5.000 3.982 3.405 4.193 . 0 0 "[ . ]" 1
191 1 2 THR MG 1 6 ARG H 3.500 . 5.000 5.042 4.788 5.165 0.165 4 0 "[ . ]" 1
192 1 2 THR MG 1 4 LEU H 3.500 . 5.000 4.608 3.595 4.836 . 0 0 "[ . ]" 1
193 1 19 CYS QB 1 22 ASP H 3.500 . 5.000 4.948 4.715 5.214 0.214 1 0 "[ . ]" 1
194 1 5 GLY QA 1 7 ILE H 3.500 . 5.000 3.877 3.841 3.926 . 0 0 "[ . ]" 1
195 1 12 VAL H 1 14 ARG H 3.500 . 5.000 4.606 4.561 4.668 . 0 0 "[ . ]" 1
196 1 16 VAL HA 1 19 CYS QB 3.500 . 5.000 3.068 2.439 4.347 . 0 0 "[ . ]" 1
197 1 10 GLN HA 1 14 ARG HE 3.500 . 5.000 2.622 1.984 3.180 0.016 5 0 "[ . ]" 1
198 1 11 LEU HA 1 14 ARG HE 3.500 . 5.000 5.052 4.916 5.224 0.224 4 0 "[ . ]" 1
199 1 3 LEU H 1 5 GLY QA 3.500 . 5.000 5.259 5.212 5.300 0.300 1 0 "[ . ]" 1
200 1 18 ARG H 1 20 SER H 3.500 . 5.000 4.260 3.849 4.502 . 0 0 "[ . ]" 1
201 1 12 VAL HA 1 16 VAL H 3.500 . 5.000 3.140 2.888 3.586 . 0 0 "[ . ]" 1
202 1 9 PRO QD 1 11 LEU H 3.500 . 5.000 4.533 4.402 4.659 . 0 0 "[ . ]" 1
203 1 8 LEU HG 1 9 PRO QD 3.500 . 5.000 2.220 2.054 2.293 . 0 0 "[ . ]" 1
204 1 6 ARG H 1 10 GLN QB 3.500 . 5.000 2.973 2.866 3.052 . 0 0 "[ . ]" 1
205 1 5 GLY H 1 7 ILE QG 3.500 . 5.000 3.899 3.634 4.019 . 0 0 "[ . ]" 1
206 1 7 ILE H 1 10 GLN QB 3.500 . 5.000 2.492 2.382 2.585 . 0 0 "[ . ]" 1
207 1 12 VAL HA 1 16 VAL HB 3.500 . 5.000 2.451 2.346 2.784 . 0 0 "[ . ]" 1
208 1 11 LEU HA 1 15 LEU H 3.500 . 5.000 3.851 3.645 4.040 . 0 0 "[ . ]" 1
209 1 3 LEU H 1 7 ILE H 3.500 . 5.000 4.126 3.950 4.279 . 0 0 "[ . ]" 1
210 1 6 ARG HE 1 10 GLN QE 3.500 . 5.000 4.850 4.635 5.066 0.066 4 0 "[ . ]" 1
211 1 6 ARG H 1 8 LEU H 3.500 . 5.000 3.962 3.851 4.037 . 0 0 "[ . ]" 1
212 1 4 LEU H 1 6 ARG H 3.500 . 5.000 2.906 2.760 2.987 . 0 0 "[ . ]" 1
213 1 6 ARG H 1 9 PRO QD 4.000 . 6.000 3.319 3.142 3.616 . 0 0 "[ . ]" 1
214 1 2 THR MG 1 5 GLY H 4.000 . 6.000 5.817 5.215 6.014 0.014 3 0 "[ . ]" 1
215 1 2 THR H 1 5 GLY H 4.000 . 6.000 5.311 3.328 5.837 . 0 0 "[ . ]" 1
216 1 18 ARG H 1 21 ILE H 4.000 . 6.000 5.100 4.748 5.907 . 0 0 "[ . ]" 1
217 1 18 ARG H 1 22 ASP HA 4.000 . 6.000 5.564 4.965 6.250 0.250 6 0 "[ . ]" 1
218 1 8 LEU HA 1 12 VAL H 4.000 . 6.500 6.248 5.401 6.497 . 0 0 "[ . ]" 1
219 1 5 GLY QA 1 8 LEU H 4.000 . 6.000 4.931 4.741 5.099 . 0 0 "[ . ]" 1
220 1 2 THR H 1 4 LEU H 4.000 . 6.000 3.644 2.394 4.181 . 0 0 "[ . ]" 1
221 1 13 CYS QB 1 16 VAL H 4.000 . 6.000 5.051 4.688 5.259 . 0 0 "[ . ]" 1
222 1 19 CYS H 1 22 ASP HA 4.000 . 6.000 4.961 4.165 5.844 . 0 0 "[ . ]" 1
223 1 4 LEU H 1 6 ARG HA 4.000 . 6.000 5.682 5.550 5.809 . 0 0 "[ . ]" 1
224 1 12 VAL HB 1 15 LEU H 4.000 . 6.000 6.170 6.079 6.262 0.262 5 0 "[ . ]" 1
225 1 7 ILE H 1 9 PRO QD 4.000 . 6.000 2.837 2.758 2.991 . 0 0 "[ . ]" 1
226 1 3 LEU H 1 5 GLY H 4.000 . 6.000 4.015 3.872 4.133 . 0 0 "[ . ]" 1
227 1 12 VAL HA 1 15 LEU H 4.000 . 6.000 3.960 3.864 4.077 . 0 0 "[ . ]" 1
228 1 2 THR H 1 6 ARG QG 4.000 . 6.000 5.446 3.776 6.262 0.262 1 0 "[ . ]" 1
229 1 10 GLN QB 1 14 ARG H 4.000 . 6.000 4.317 4.011 5.093 . 0 0 "[ . ]" 1
230 1 2 THR H 1 6 ARG H 4.000 . 6.000 5.089 3.199 5.590 . 0 0 "[ . ]" 1
231 1 4 LEU H 1 8 LEU H 4.000 . 6.000 5.080 4.924 5.248 . 0 0 "[ . ]" 1
232 1 7 ILE HA 1 10 GLN QE 4.000 . 6.000 4.357 3.939 5.765 . 0 0 "[ . ]" 1
233 1 12 VAL HA 1 14 ARG H 4.000 . 6.000 4.763 4.619 5.052 . 0 0 "[ . ]" 1
234 1 2 THR MG 1 6 ARG HE 4.000 . 6.000 4.725 3.769 7.279 1.279 4 1 "[ +. ]" 1
235 1 10 GLN QB 1 14 ARG HE 4.000 . 6.000 2.275 1.914 3.455 0.086 1 0 "[ . ]" 1
236 1 12 VAL H 1 16 VAL HB 4.000 . 6.000 5.214 4.972 5.538 . 0 0 "[ . ]" 1
237 1 14 ARG H 1 16 VAL HB 4.000 . 6.000 5.492 5.324 5.653 . 0 0 "[ . ]" 1
238 1 3 LEU H 1 6 ARG H 4.000 . 6.000 3.323 3.253 3.431 . 0 0 "[ . ]" 1
239 1 2 THR H 1 5 GLY QA 4.000 . 6.000 4.573 2.891 5.148 . 0 0 "[ . ]" 1
240 1 1 ASP QB 1 4 LEU H 4.000 . 6.000 5.631 5.276 6.013 0.013 4 0 "[ . ]" 1
241 1 11 LEU H 1 14 ARG H 4.000 . 6.000 4.955 4.882 5.035 . 0 0 "[ . ]" 1
242 1 13 CYS H 1 16 VAL HB 4.000 . 6.000 4.075 3.681 4.371 . 0 0 "[ . ]" 1
243 1 13 CYS HA 1 16 VAL H 4.000 . 6.000 4.162 3.681 4.564 . 0 0 "[ . ]" 1
244 1 16 VAL HB 1 20 SER H 4.000 . 6.000 5.695 5.275 6.050 0.050 1 0 "[ . ]" 1
245 1 10 GLN HA 1 13 CYS QB 4.000 . 6.000 2.307 2.146 2.413 . 0 0 "[ . ]" 1
246 1 10 GLN QG 1 14 ARG HE 4.000 . 6.000 3.047 1.938 3.357 0.062 4 0 "[ . ]" 1
247 1 5 GLY QA 1 8 LEU QB 4.000 . 6.000 5.966 5.817 6.153 0.153 3 0 "[ . ]" 1
248 1 1 ASP QB 1 6 ARG QG 4.000 . 6.000 4.437 2.168 5.402 . 0 0 "[ . ]" 1
249 1 11 LEU H 1 15 LEU H 4.000 . 6.000 5.763 5.574 5.916 . 0 0 "[ . ]" 1
250 1 4 LEU HA 1 7 ILE QG 4.000 . 6.000 5.000 4.655 5.247 . 0 0 "[ . ]" 1
251 1 1 ASP QB 1 6 ARG QB 4.000 . 6.000 4.177 3.875 5.131 . 0 0 "[ . ]" 1
252 1 14 ARG H 1 18 ARG HE 4.000 . 6.000 5.575 4.815 5.994 . 0 0 "[ . ]" 1
253 1 10 GLN QE 1 14 ARG HA 4.000 . 6.000 5.978 5.178 6.182 0.182 2 0 "[ . ]" 1
254 1 6 ARG HE 1 10 GLN QG 4.000 . 6.000 5.232 2.492 6.078 0.078 6 0 "[ . ]" 1
255 1 12 VAL H 1 15 LEU H 4.000 . 6.000 4.946 4.861 4.997 . 0 0 "[ . ]" 1
256 1 16 VAL H 1 19 CYS H 4.000 . 6.000 4.313 3.657 4.919 . 0 0 "[ . ]" 1
257 1 2 THR MG 1 5 GLY QA 4.000 . 6.000 5.226 4.572 5.496 . 0 0 "[ . ]" 1
258 1 8 LEU H 1 10 GLN H 4.000 . 6.000 3.270 3.173 3.364 . 0 0 "[ . ]" 1
259 1 10 GLN H 1 13 CYS H 4.000 . 6.000 5.593 5.277 5.754 . 0 0 "[ . ]" 1
260 1 2 THR H 1 4 LEU HG 4.000 . 6.000 4.248 3.803 4.566 . 0 0 "[ . ]" 1
261 1 12 VAL H 1 16 VAL H 4.000 . 6.000 5.281 5.158 5.486 . 0 0 "[ . ]" 1
262 1 10 GLN H 1 12 VAL H 4.000 . 6.000 4.276 4.078 4.403 . 0 0 "[ . ]" 1
263 1 19 CYS H 1 22 ASP QB 4.000 . 6.000 5.705 5.262 6.120 0.120 3 0 "[ . ]" 1
264 1 1 ASP QB 1 5 GLY H 4.000 . 6.000 5.856 5.215 6.066 0.066 2 0 "[ . ]" 1
265 1 7 ILE H 1 10 GLN H 4.000 . 6.000 3.108 3.046 3.159 . 0 0 "[ . ]" 1
266 1 6 ARG HE 1 10 GLN QB 4.000 . 6.000 3.678 3.195 4.122 . 0 0 "[ . ]" 1
267 1 6 ARG H 1 10 GLN QG 4.000 . 6.000 4.853 4.486 5.038 . 0 0 "[ . ]" 1
268 1 7 ILE H 1 10 GLN QG 4.000 . 6.000 3.918 3.632 4.073 . 0 0 "[ . ]" 1
269 1 10 GLN QG 1 14 ARG H 4.000 . 6.000 4.086 3.832 4.359 . 0 0 "[ . ]" 1
270 1 1 ASP QB 1 3 LEU H 4.000 . 6.000 6.070 5.891 6.126 0.126 4 0 "[ . ]" 1
271 1 10 GLN QE 1 14 ARG HE 4.000 . 6.000 3.124 2.536 3.890 . 0 0 "[ . ]" 1
272 1 6 ARG H 1 10 GLN HA 3.250 . 4.500 4.561 4.483 4.682 0.182 4 0 "[ . ]" 1
273 1 5 GLY H 1 10 GLN HA 3.250 . 4.500 4.655 4.541 4.794 0.294 4 0 "[ . ]" 1
274 1 6 ARG HA 1 14 ARG HE 3.250 . 4.500 3.920 3.633 4.236 . 0 0 "[ . ]" 1
275 1 1 ASP HA 1 6 ARG HE 3.500 . 5.000 5.012 4.739 5.130 0.130 6 0 "[ . ]" 1
276 1 6 ARG HE 1 14 ARG HE 3.500 . 5.000 4.456 4.044 5.045 0.045 6 0 "[ . ]" 1
277 1 1 ASP QB 1 6 ARG HE 4.000 . 6.000 3.671 3.218 4.291 . 0 0 "[ . ]" 1
278 1 4 LEU H 1 9 PRO QD 4.000 . 6.000 4.095 3.927 4.238 . 0 0 "[ . ]" 1
279 1 6 ARG H 1 11 LEU H 4.000 . 6.000 6.254 6.219 6.290 0.290 2 0 "[ . ]" 1
280 1 12 VAL HA 1 18 ARG H 4.000 . 6.000 6.088 6.012 6.209 0.209 5 0 "[ . ]" 1
281 1 1 ASP HA 1 6 ARG H 4.000 . 6.000 5.026 3.606 5.489 . 0 0 "[ . ]" 1
282 1 7 ILE H 1 14 ARG HE 4.000 . 6.000 6.057 5.973 6.123 0.123 1 0 "[ . ]" 1
283 1 4 LEU H 1 10 GLN H 4.000 . 6.000 6.021 5.948 6.054 0.054 2 0 "[ . ]" 1
284 1 5 GLY H 1 10 GLN QB 4.000 . 6.000 3.599 3.514 3.674 . 0 0 "[ . ]" 1
285 1 1 ASP QB 1 6 ARG H 4.000 . 6.000 5.318 4.819 5.629 . 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 75
_Distance_constraint_stats_list.Viol_count 67
_Distance_constraint_stats_list.Viol_total 47.187
_Distance_constraint_stats_list.Viol_max 0.389
_Distance_constraint_stats_list.Viol_rms 0.0581
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0175
_Distance_constraint_stats_list.Viol_average_violations_only 0.1174
_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 ASP 0.000 0.000 . 0 "[ . ]"
1 2 THR 0.505 0.183 2 0 "[ . ]"
1 3 LEU 1.421 0.183 2 0 "[ . ]"
1 4 LEU 2.307 0.389 2 0 "[ . ]"
1 5 GLY 2.553 0.389 2 0 "[ . ]"
1 6 ARG 1.668 0.279 6 0 "[ . ]"
1 7 ILE 1.279 0.175 1 0 "[ . ]"
1 8 LEU 3.298 0.389 2 0 "[ . ]"
1 10 GLN 0.304 0.086 1 0 "[ . ]"
1 11 LEU 3.324 0.389 2 0 "[ . ]"
1 12 VAL 0.192 0.086 1 0 "[ . ]"
1 13 CYS 1.820 0.345 4 0 "[ . ]"
1 14 ARG 2.079 0.279 6 0 "[ . ]"
1 15 LEU 3.524 0.345 4 0 "[ . ]"
1 16 VAL 0.872 0.279 6 0 "[ . ]"
1 17 LEU 3.524 0.345 4 0 "[ . ]"
1 18 ARG 0.879 0.185 6 0 "[ . ]"
1 19 CYS 0.000 0.000 . 0 "[ . ]"
1 20 SER 0.000 0.000 . 0 "[ . ]"
1 21 ILE 0.396 0.183 2 0 "[ . ]"
1 22 ASP 0.000 0.000 . 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 ARG H 1 15 LEU H 2.900 . 3.800 2.275 2.145 2.524 . 0 0 "[ . ]" 2
2 1 5 GLY H 1 7 ILE H 3.250 . 4.500 2.408 2.381 2.449 . 0 0 "[ . ]" 2
3 1 11 LEU QB 1 14 ARG H 3.250 . 4.500 3.775 3.732 3.839 . 0 0 "[ . ]" 2
4 1 15 LEU H 1 15 LEU QB 3.250 . 4.500 2.676 2.659 2.693 . 0 0 "[ . ]" 2
5 1 4 LEU QB 1 5 GLY H 3.250 . 4.500 3.482 3.452 3.505 . 0 0 "[ . ]" 2
6 1 10 GLN QB 1 11 LEU H 3.250 . 4.500 3.283 2.348 3.490 . 0 0 "[ . ]" 2
7 1 3 LEU MD2 1 6 ARG H 3.250 . 4.500 4.522 4.447 4.590 0.090 4 0 "[ . ]" 2
8 1 15 LEU H 1 16 VAL H 3.250 . 4.500 2.004 1.949 2.053 0.051 4 0 "[ . ]" 2
9 1 14 ARG QB 1 15 LEU H 3.250 . 4.500 3.152 2.888 3.271 . 0 0 "[ . ]" 2
10 1 15 LEU H 1 15 LEU HA 3.250 . 4.500 2.569 2.562 2.572 . 0 0 "[ . ]" 2
11 1 4 LEU MD1 1 6 ARG H 3.250 . 4.500 4.258 4.061 4.360 . 0 0 "[ . ]" 2
12 1 3 LEU MD2 1 5 GLY H 3.250 . 4.500 4.616 4.497 4.675 0.175 1 0 "[ . ]" 2
13 1 6 ARG QB 1 18 ARG H 3.250 . 4.500 2.648 2.506 2.967 . 0 0 "[ . ]" 2
14 1 3 LEU QB 1 4 LEU H 3.250 . 4.500 3.401 3.300 3.521 . 0 0 "[ . ]" 2
15 1 4 LEU QB 1 8 LEU H 3.250 . 4.500 4.596 4.533 4.778 0.278 1 0 "[ . ]" 2
16 1 3 LEU MD2 1 6 ARG H 3.250 . 4.500 4.248 4.091 4.336 . 0 0 "[ . ]" 2
17 1 11 LEU QB 1 13 CYS H 3.250 . 4.500 3.607 3.555 3.638 . 0 0 "[ . ]" 2
18 1 5 GLY H 1 14 ARG H 3.250 . 4.500 2.029 1.958 2.216 0.042 3 0 "[ . ]" 2
19 1 4 LEU MD2 1 5 GLY H 3.250 . 4.500 4.788 4.642 4.889 0.389 2 0 "[ . ]" 2
20 1 11 LEU QB 1 12 VAL H 3.250 . 4.500 2.531 2.477 2.567 . 0 0 "[ . ]" 2
21 1 3 LEU QB 1 16 VAL H 3.250 . 4.500 2.777 2.564 3.081 . 0 0 "[ . ]" 2
22 1 15 LEU H 1 15 LEU HG 3.250 . 4.500 2.218 1.990 2.358 0.010 5 0 "[ . ]" 2
23 1 4 LEU QB 1 7 ILE H 3.250 . 4.500 3.334 3.272 3.402 . 0 0 "[ . ]" 2
24 1 15 LEU H 1 18 ARG H 3.250 . 4.500 2.622 2.571 2.673 . 0 0 "[ . ]" 2
25 1 11 LEU H 1 12 VAL H 3.250 . 4.500 2.446 2.419 2.514 . 0 0 "[ . ]" 2
26 1 7 ILE HA 1 13 CYS H 3.250 . 4.500 3.326 3.297 3.400 . 0 0 "[ . ]" 2
27 1 15 LEU HG 1 16 VAL H 3.250 . 4.500 3.858 3.783 3.934 . 0 0 "[ . ]" 2
28 1 4 LEU QB 1 13 CYS H 3.250 . 4.500 3.588 3.546 3.611 . 0 0 "[ . ]" 2
29 1 5 GLY H 1 8 LEU H 3.250 . 4.500 3.425 3.324 3.528 . 0 0 "[ . ]" 2
30 1 13 CYS H 1 15 LEU H 3.250 . 4.500 2.538 2.463 2.616 . 0 0 "[ . ]" 2
31 1 15 LEU H 1 19 CYS H 3.250 . 4.500 4.007 3.744 4.402 . 0 0 "[ . ]" 2
32 1 5 GLY H 1 6 ARG QB 3.250 . 4.500 3.887 3.835 3.951 . 0 0 "[ . ]" 2
33 1 6 ARG QG 1 14 ARG H 3.250 . 4.500 3.411 3.246 3.740 . 0 0 "[ . ]" 2
34 1 3 LEU QB 1 10 GLN H 3.250 . 4.500 4.439 4.307 4.530 0.030 4 0 "[ . ]" 2
35 1 6 ARG H 1 7 ILE MD 3.250 . 4.500 4.384 3.861 4.511 0.011 5 0 "[ . ]" 2
36 1 10 GLN QB 1 14 ARG H 3.500 . 5.000 4.243 3.977 4.896 . 0 0 "[ . ]" 2
37 1 13 CYS H 1 15 LEU HA 3.500 . 5.000 5.282 5.222 5.345 0.345 4 0 "[ . ]" 2
38 1 6 ARG QB 1 16 VAL H 3.500 . 5.000 4.937 4.602 5.121 0.121 3 0 "[ . ]" 2
39 1 3 LEU QB 1 10 GLN H 3.500 . 5.000 4.375 4.311 4.408 . 0 0 "[ . ]" 2
40 1 5 GLY H 1 7 ILE MD 3.500 . 5.000 4.833 4.745 4.935 . 0 0 "[ . ]" 2
41 1 3 LEU MD2 1 10 GLN H 3.500 . 5.000 4.908 4.823 4.967 . 0 0 "[ . ]" 2
42 1 14 ARG H 1 15 LEU HG 3.500 . 5.000 3.431 3.259 3.773 . 0 0 "[ . ]" 2
43 1 8 LEU MD2 1 10 GLN H 3.500 . 5.000 4.247 3.378 4.522 . 0 0 "[ . ]" 2
44 1 3 LEU H 1 5 GLY H 3.500 . 5.000 4.009 3.867 4.126 . 0 0 "[ . ]" 2
45 1 13 CYS QB 1 15 LEU H 3.500 . 5.000 4.001 3.829 4.091 . 0 0 "[ . ]" 2
46 1 5 GLY H 1 15 LEU H 3.500 . 5.000 2.535 2.460 2.612 . 0 0 "[ . ]" 2
47 1 4 LEU H 1 6 ARG QB 3.500 . 5.000 3.735 3.697 3.799 . 0 0 "[ . ]" 2
48 1 11 LEU H 1 15 LEU HG 3.500 . 5.000 5.139 5.082 5.185 0.185 6 0 "[ . ]" 2
49 1 14 ARG HE 1 15 LEU H 3.500 . 5.000 4.910 4.566 5.145 0.145 2 0 "[ . ]" 2
50 1 2 THR H 1 3 LEU MD2 4.000 . 6.000 5.711 5.564 6.109 0.109 3 0 "[ . ]" 2
51 1 15 LEU H 1 16 VAL HB 4.000 . 6.000 2.216 2.177 2.297 . 0 0 "[ . ]" 2
52 1 10 GLN QB 1 14 ARG HE 4.000 . 6.000 2.274 1.914 3.452 0.086 1 0 "[ . ]" 2
53 1 1 ASP HA 1 18 ARG H 4.000 . 6.000 4.205 3.636 4.678 . 0 0 "[ . ]" 2
54 1 3 LEU HG 1 10 GLN H 4.000 . 6.000 4.232 3.808 5.570 . 0 0 "[ . ]" 2
55 1 2 THR H 1 4 LEU MD2 4.000 . 6.000 4.838 4.465 4.974 . 0 0 "[ . ]" 2
56 1 5 GLY H 1 10 GLN H 4.000 . 6.000 2.485 2.406 2.615 . 0 0 "[ . ]" 2
57 1 6 ARG QD 1 16 VAL H 4.000 . 6.000 6.015 5.782 6.279 0.279 6 0 "[ . ]" 2
58 1 4 LEU MD2 1 10 GLN QE 4.000 . 6.000 5.150 3.870 5.676 . 0 0 "[ . ]" 2
59 1 15 LEU H 1 18 ARG HE 4.000 . 6.000 5.193 4.614 6.010 0.010 5 0 "[ . ]" 2
60 1 1 ASP HA 1 14 ARG HE 4.000 . 6.000 5.126 4.619 5.532 . 0 0 "[ . ]" 2
61 1 6 ARG QG 1 21 ILE H 4.000 . 6.000 4.871 4.408 5.529 . 0 0 "[ . ]" 2
62 1 15 LEU QB 1 20 SER H 4.000 . 6.000 4.381 4.093 4.672 . 0 0 "[ . ]" 2
63 1 1 ASP HA 1 15 LEU H 4.000 . 6.000 2.975 2.488 3.340 . 0 0 "[ . ]" 2
64 1 15 LEU H 1 20 SER H 4.000 . 6.000 4.709 4.544 4.915 . 0 0 "[ . ]" 2
65 1 8 LEU H 1 10 GLN QB 4.000 . 6.000 4.007 3.822 4.078 . 0 0 "[ . ]" 2
66 1 7 ILE H 1 10 GLN QB 4.000 . 6.000 2.492 2.382 2.585 . 0 0 "[ . ]" 2
67 1 3 LEU HG 1 22 ASP H 4.000 . 6.000 4.558 3.653 5.295 . 0 0 "[ . ]" 2
68 1 5 GLY H 1 16 VAL H 4.000 . 6.000 3.224 3.086 3.342 . 0 0 "[ . ]" 2
69 1 10 GLN QB 1 16 VAL H 4.000 . 6.000 5.082 4.967 5.333 . 0 0 "[ . ]" 2
70 1 5 GLY H 1 14 ARG HE 4.000 . 6.000 3.931 3.457 4.245 . 0 0 "[ . ]" 2
71 1 5 GLY H 1 6 ARG QD 4.000 . 6.000 5.793 5.547 5.994 . 0 0 "[ . ]" 2
72 1 2 THR H 1 3 LEU HA 4.000 . 6.000 5.901 5.187 6.183 0.183 2 0 "[ . ]" 2
73 1 6 ARG H 1 10 GLN QB 4.000 . 6.000 2.973 2.866 3.052 . 0 0 "[ . ]" 2
74 1 6 ARG QD 1 10 GLN QE 4.000 . 6.000 3.253 1.959 4.402 0.041 5 0 "[ . ]" 2
75 1 10 GLN QB 1 10 GLN QE 4.000 . 6.000 2.580 2.334 3.477 . 0 0 "[ . ]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 9:51:56 PM GMT (wattos1)