NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645289 |
6qam   |
34338 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qam
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 112
_Distance_constraint_stats_list.Viol_count 173
_Distance_constraint_stats_list.Viol_total 33.455
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0097
_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 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 TYR 0.188 0.186 17 0 "[ . 1 . 2]"
1 13 ASN 0.188 0.186 17 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.002 0.002 17 0 "[ . 1 . 2]"
1 16 ASP 0.033 0.015 8 0 "[ . 1 . 2]"
1 17 TRP 0.109 0.027 9 0 "[ . 1 . 2]"
1 18 VAL 0.124 0.064 20 0 "[ . 1 . 2]"
1 19 ALA 0.092 0.024 16 0 "[ . 1 . 2]"
1 20 SER 0.032 0.014 9 0 "[ . 1 . 2]"
1 21 PHE 0.068 0.014 20 0 "[ . 1 . 2]"
1 22 ASN 0.033 0.014 20 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.006 0.006 9 0 "[ . 1 . 2]"
1 26 VAL 0.008 0.005 20 0 "[ . 1 . 2]"
1 27 TYR 0.016 0.005 20 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.006 0.006 10 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.006 0.006 10 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 0.006 0.004 10 0 "[ . 1 . 2]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.031 0.014 9 0 "[ . 1 . 2]"
1 59 ILE 0.020 0.009 13 0 "[ . 1 . 2]"
1 60 ALA 0.111 0.064 20 0 "[ . 1 . 2]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.033 0.015 8 0 "[ . 1 . 2]"
1 63 VAL 0.002 0.002 17 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.046 0.019 10 0 "[ . 1 . 2]"
1 69 VAL 0.066 0.035 10 0 "[ . 1 . 2]"
1 70 ASP 0.008 0.008 14 0 "[ . 1 . 2]"
1 71 PHE 0.036 0.016 4 0 "[ . 1 . 2]"
1 72 PHE 0.020 0.016 4 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.024 0.007 15 0 "[ . 1 . 2]"
1 102 ILE 0.004 0.004 4 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 SER 0.008 0.008 14 0 "[ . 1 . 2]"
1 105 LEU 0.011 0.011 10 0 "[ . 1 . 2]"
1 106 GLN 0.112 0.035 10 0 "[ . 1 . 2]"
1 107 TYR 0.004 0.004 14 0 "[ . 1 . 2]"
1 108 HIS 0.153 0.033 6 0 "[ . 1 . 2]"
1 109 TYR 0.044 0.044 8 0 "[ . 1 . 2]"
1 110 ASP 0.439 0.197 6 0 "[ . 1 . 2]"
1 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 PHE 0.243 0.197 6 0 "[ . 1 . 2]"
1 118 TYR 0.017 0.017 8 0 "[ . 1 . 2]"
1 119 VAL 0.004 0.004 14 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.011 0.011 10 0 "[ . 1 . 2]"
1 122 GLY 0.050 0.025 20 0 "[ . 1 . 2]"
1 123 VAL 0.025 0.017 1 0 "[ . 1 . 2]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ARG 0.024 0.007 15 0 "[ . 1 . 2]"
1 148 ALA 0.075 0.025 20 0 "[ . 1 . 2]"
1 149 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 GLN 0.056 0.036 12 0 "[ . 1 . 2]"
1 151 VAL 0.102 0.036 12 0 "[ . 1 . 2]"
1 152 GLY 0.017 0.017 8 0 "[ . 1 . 2]"
1 153 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 TYR 0.088 0.045 20 0 "[ . 1 . 2]"
1 156 ASP 0.029 0.014 16 0 "[ . 1 . 2]"
1 157 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 162 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 163 LEU 0.118 0.045 20 0 "[ . 1 . 2]"
1 164 ASN 0.013 0.005 6 0 "[ . 1 . 2]"
1 165 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 ASP 0.030 0.012 13 0 "[ . 1 . 2]"
1 167 VAL 0.046 0.011 7 0 "[ . 1 . 2]"
1 168 ARG 0.002 0.002 6 0 "[ . 1 . 2]"
1 194 PHE 0.008 0.003 1 0 "[ . 1 . 2]"
1 195 ILE 0.002 0.002 6 0 "[ . 1 . 2]"
1 196 LEU 0.006 0.006 9 0 "[ . 1 . 2]"
1 197 SER 0.030 0.012 13 0 "[ . 1 . 2]"
1 198 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 199 GLY 0.009 0.005 6 0 "[ . 1 . 2]"
1 200 ALA 0.014 0.005 13 0 "[ . 1 . 2]"
1 201 SER 0.031 0.013 14 0 "[ . 1 . 2]"
1 202 TYR 0.094 0.024 16 0 "[ . 1 . 2]"
1 203 VAL 0.003 0.003 10 0 "[ . 1 . 2]"
1 204 PHE 0.097 0.027 9 0 "[ . 1 . 2]"
1 205 LYS 0.004 0.004 14 0 "[ . 1 . 2]"
1 206 LEU 0.004 0.004 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 1 103 LEU N 1 123 VAL H . . 4.510 4.414 4.331 4.506 . 0 0 "[ . 1 . 2]" 1
2 1 19 ALA N 1 202 TYR H . . 3.940 3.604 3.349 3.835 . 0 0 "[ . 1 . 2]" 1
3 1 68 ALA N 1 106 GLN H . . 3.940 3.805 3.510 3.959 0.019 10 0 "[ . 1 . 2]" 1
4 1 19 ALA H 1 202 TYR N . . 3.960 3.928 3.740 3.984 0.024 16 0 "[ . 1 . 2]" 1
5 1 23 PHE H 1 198 LEU N . . 3.860 3.608 3.301 3.831 . 0 0 "[ . 1 . 2]" 1
6 1 21 PHE H 1 200 ALA N . . 4.380 4.248 3.946 4.385 0.005 13 0 "[ . 1 . 2]" 1
7 1 151 VAL N 1 167 VAL H . . 3.860 3.768 3.492 3.870 0.010 14 0 "[ . 1 . 2]" 1
8 1 164 ASN N 1 199 GLY H . . 4.350 4.086 3.885 4.188 . 0 0 "[ . 1 . 2]" 1
9 1 107 TYR N 1 119 VAL H . . 4.060 3.729 3.101 4.009 . 0 0 "[ . 1 . 2]" 1
10 1 31 GLU H 1 32 LEU N . . 4.070 3.273 2.680 3.386 . 0 0 "[ . 1 . 2]" 1
11 1 15 GLY H 1 16 ASP N . . 4.230 2.829 2.748 2.953 . 0 0 "[ . 1 . 2]" 1
12 1 31 GLU N 1 32 LEU H . . 3.760 2.517 2.399 2.691 . 0 0 "[ . 1 . 2]" 1
13 1 11 GLY H 1 12 TYR N . . 4.370 3.994 3.811 4.242 . 0 0 "[ . 1 . 2]" 1
14 1 59 ILE N 1 71 PHE H . . 4.010 3.539 3.349 3.758 . 0 0 "[ . 1 . 2]" 1
15 1 23 PHE N 1 198 LEU H . . 3.880 3.430 3.312 3.530 . 0 0 "[ . 1 . 2]" 1
16 1 151 VAL H 1 167 VAL N . . 4.130 4.008 3.603 4.141 0.011 7 0 "[ . 1 . 2]" 1
17 1 17 TRP N 1 204 PHE H . . 4.350 4.154 3.944 4.291 . 0 0 "[ . 1 . 2]" 1
18 1 68 ALA H 1 106 GLN N . . 3.930 3.722 3.438 3.939 0.009 15 0 "[ . 1 . 2]" 1
19 1 20 SER N 1 58 ASP H . . 4.640 4.114 3.751 4.270 . 0 0 "[ . 1 . 2]" 1
20 1 162 MET N 1 201 SER H . . 3.870 3.353 3.189 3.504 . 0 0 "[ . 1 . 2]" 1
21 1 63 VAL H 1 64 SER N . . 4.060 2.705 2.543 3.104 . 0 0 "[ . 1 . 2]" 1
22 1 162 MET H 1 201 SER N . . 3.950 3.548 3.274 3.839 . 0 0 "[ . 1 . 2]" 1
23 1 122 GLY N 1 148 ALA H . . 4.310 4.143 3.869 4.335 0.025 20 0 "[ . 1 . 2]" 1
24 1 164 ASN H 1 199 GLY N . . 4.230 4.109 3.861 4.235 0.005 6 0 "[ . 1 . 2]" 1
25 1 157 LEU H 1 158 GLY N . . 4.180 3.169 2.555 3.941 . 0 0 "[ . 1 . 2]" 1
26 1 123 VAL H 1 124 GLY H . . 4.550 4.452 4.405 4.505 . 0 0 "[ . 1 . 2]" 1
27 1 196 LEU H 1 197 SER H . . 4.540 4.273 4.144 4.378 . 0 0 "[ . 1 . 2]" 1
28 1 71 PHE H 1 72 PHE H . . 4.370 4.243 3.953 4.386 0.016 4 0 "[ . 1 . 2]" 1
29 1 168 ARG H 1 195 ILE H . . 3.820 3.531 3.133 3.822 0.002 6 0 "[ . 1 . 2]" 1
30 1 59 ILE H 1 71 PHE H . . 3.250 3.102 2.773 3.259 0.009 13 0 "[ . 1 . 2]" 1
31 1 27 TYR H 1 28 VAL H . . 4.490 4.255 3.999 4.487 . 0 0 "[ . 1 . 2]" 1
32 1 26 VAL H 1 27 TYR H . . 4.560 4.518 4.366 4.565 0.005 20 0 "[ . 1 . 2]" 1
33 1 22 ASN H 1 56 THR H . . 3.730 3.569 3.421 3.734 0.004 10 0 "[ . 1 . 2]" 1
34 1 203 VAL H 1 204 PHE H . . 4.580 4.533 4.393 4.576 . 0 0 "[ . 1 . 2]" 1
35 1 19 ALA H 1 20 SER H . . 4.470 4.312 4.148 4.471 0.001 10 0 "[ . 1 . 2]" 1
36 1 69 VAL H 1 70 ASP H . . 5.090 4.544 4.513 4.608 . 0 0 "[ . 1 . 2]" 1
37 1 70 ASP H 1 104 SER H . . 3.660 3.502 3.363 3.668 0.008 14 0 "[ . 1 . 2]" 1
38 1 25 LYS H 1 26 VAL H . . 4.500 4.275 4.055 4.382 . 0 0 "[ . 1 . 2]" 1
39 1 21 PHE H 1 201 SER H . . 4.880 4.768 4.635 4.893 0.013 14 0 "[ . 1 . 2]" 1
40 1 70 ASP H 1 105 LEU H . . 5.010 4.800 4.439 4.945 . 0 0 "[ . 1 . 2]" 1
41 1 105 LEU H 1 106 GLN H . . 5.310 4.507 4.411 4.560 . 0 0 "[ . 1 . 2]" 1
42 1 162 MET H 1 201 SER H . . 3.050 2.728 2.401 3.046 . 0 0 "[ . 1 . 2]" 1
43 1 25 LYS H 1 196 LEU H . . 3.250 2.981 2.728 3.256 0.006 9 0 "[ . 1 . 2]" 1
44 1 202 TYR H 1 203 VAL H . . 4.430 4.278 4.104 4.433 0.003 10 0 "[ . 1 . 2]" 1
45 1 118 TYR H 1 152 GLY H . . 3.710 3.507 2.760 3.727 0.017 8 0 "[ . 1 . 2]" 1
46 1 103 LEU H 1 123 VAL H . . 4.070 3.932 3.801 4.062 . 0 0 "[ . 1 . 2]" 1
47 1 153 LEU H 1 165 SER H . . 3.200 2.836 2.533 3.168 . 0 0 "[ . 1 . 2]" 1
48 1 156 ASP H 1 163 LEU H . . 4.970 4.756 4.115 4.984 0.014 16 0 "[ . 1 . 2]" 1
49 1 166 ASP H 1 167 VAL H . . 4.480 4.402 4.299 4.465 . 0 0 "[ . 1 . 2]" 1
50 1 107 TYR H 1 119 VAL H . . 3.260 2.995 2.465 3.264 0.004 14 0 "[ . 1 . 2]" 1
51 1 166 ASP H 1 197 SER H . . 3.570 3.370 2.732 3.582 0.012 13 0 "[ . 1 . 2]" 1
52 1 27 TYR H 1 194 PHE H . . 3.310 3.137 2.902 3.313 0.003 1 0 "[ . 1 . 2]" 1
53 1 15 GLY H 1 16 ASP H . . 3.140 2.182 2.087 2.329 . 0 0 "[ . 1 . 2]" 1
54 1 60 ALA H 1 61 TYR H . . 4.670 4.420 4.240 4.529 . 0 0 "[ . 1 . 2]" 1
55 1 14 GLN H 1 15 GLY H . . 4.880 4.615 4.580 4.626 . 0 0 "[ . 1 . 2]" 1
56 1 18 VAL H 1 60 ALA H . . 3.610 3.526 2.929 3.674 0.064 20 0 "[ . 1 . 2]" 1
57 1 108 HIS H 1 110 ASP H . . 5.340 5.182 3.987 5.373 0.033 6 0 "[ . 1 . 2]" 1
58 1 197 SER H 1 198 LEU H . . 4.690 4.471 4.431 4.532 . 0 0 "[ . 1 . 2]" 1
59 1 164 ASN H 1 200 ALA H . . 4.400 4.268 4.026 4.403 0.003 8 0 "[ . 1 . 2]" 1
60 1 101 ALA H 1 125 ARG H . . 3.700 3.602 3.178 3.707 0.007 15 0 "[ . 1 . 2]" 1
61 1 21 PHE H 1 22 ASN H . . 4.350 4.241 4.019 4.364 0.014 20 0 "[ . 1 . 2]" 1
62 1 200 ALA H 1 201 SER H . . 4.460 4.414 4.381 4.447 . 0 0 "[ . 1 . 2]" 1
63 1 155 TYR H 1 163 LEU H . . 3.720 3.649 3.312 3.765 0.045 20 0 "[ . 1 . 2]" 1
64 1 198 LEU H 1 199 GLY H . . 4.740 4.335 4.297 4.360 . 0 0 "[ . 1 . 2]" 1
65 1 199 GLY H 1 200 ALA H . . 5.050 4.221 4.105 4.301 . 0 0 "[ . 1 . 2]" 1
66 1 23 PHE H 1 198 LEU H . . 3.080 2.890 2.648 3.070 . 0 0 "[ . 1 . 2]" 1
67 1 124 GLY H 1 125 ARG H . . 5.270 4.462 4.348 4.538 . 0 0 "[ . 1 . 2]" 1
68 1 20 SER H 1 58 ASP H . . 3.810 3.674 3.183 3.824 0.014 9 0 "[ . 1 . 2]" 1
69 1 105 LEU H 1 121 VAL H . . 3.200 3.031 2.717 3.211 0.011 10 0 "[ . 1 . 2]" 1
70 1 68 ALA H 1 106 GLN H . . 3.440 3.260 2.906 3.444 0.004 9 0 "[ . 1 . 2]" 1
71 1 150 GLN H 1 151 VAL H . . 4.460 4.393 4.217 4.496 0.036 12 0 "[ . 1 . 2]" 1
72 1 151 VAL H 1 168 ARG H . . 5.310 5.073 4.982 5.112 . 0 0 "[ . 1 . 2]" 1
73 1 12 TYR H 1 13 ASN H . . 4.150 4.085 3.970 4.336 0.186 17 0 "[ . 1 . 2]" 1
74 1 151 VAL H 1 167 VAL H . . 3.440 3.276 2.863 3.448 0.008 14 0 "[ . 1 . 2]" 1
75 1 29 GLY H 1 30 GLU H . . 5.370 3.440 1.971 4.612 . 0 0 "[ . 1 . 2]" 1
76 1 108 HIS H 1 109 TYR H . . 4.560 4.309 3.686 4.511 . 0 0 "[ . 1 . 2]" 1
77 1 111 SER H 1 112 PHE H . . 4.160 2.851 2.620 3.516 . 0 0 "[ . 1 . 2]" 1
78 1 72 PHE H 1 102 ILE H . . 3.620 3.277 2.817 3.624 0.004 4 0 "[ . 1 . 2]" 1
79 1 31 GLU H 1 33 GLY H . . 4.940 4.659 3.284 4.946 0.006 10 0 "[ . 1 . 2]" 1
80 1 63 VAL H 1 64 SER H . . 3.050 2.198 1.897 3.037 . 0 0 "[ . 1 . 2]" 1
81 1 68 ALA H 1 69 VAL H . . 4.670 4.475 4.286 4.545 . 0 0 "[ . 1 . 2]" 1
82 1 17 TRP H 1 204 PHE H . . 3.720 3.692 3.427 3.747 0.027 9 0 "[ . 1 . 2]" 1
83 1 28 VAL H 1 29 GLY H . . 4.430 4.367 4.277 4.429 . 0 0 "[ . 1 . 2]" 1
84 1 17 TRP H 1 18 VAL H . . 4.380 4.308 4.082 4.384 0.004 15 0 "[ . 1 . 2]" 1
85 1 35 LEU H 1 36 ASN H . . 3.570 3.065 2.116 3.570 . 0 0 "[ . 1 . 2]" 1
86 1 69 VAL H 1 106 GLN H . . 4.640 4.538 4.234 4.675 0.035 10 0 "[ . 1 . 2]" 1
87 1 36 ASN H 1 37 VAL H . . 4.980 4.022 2.001 4.647 . 0 0 "[ . 1 . 2]" 1
88 1 46 ASP H 1 47 VAL H . . 4.930 3.884 2.020 4.630 . 0 0 "[ . 1 . 2]" 1
89 1 47 VAL H 1 48 SER H . . 5.280 4.124 2.078 4.625 . 0 0 "[ . 1 . 2]" 1
90 1 13 ASN H 1 14 GLN H . . 4.600 4.422 4.174 4.555 . 0 0 "[ . 1 . 2]" 1
91 1 110 ASP H 1 112 PHE H . . 4.990 4.684 4.272 5.187 0.197 6 0 "[ . 1 . 2]" 1
92 1 109 TYR H 1 110 ASP H . . 4.040 2.914 2.491 4.084 0.044 8 0 "[ . 1 . 2]" 1
93 1 57 PHE H 1 73 VAL H . . 4.000 3.825 3.607 3.996 . 0 0 "[ . 1 . 2]" 1
94 1 15 GLY H 1 63 VAL H . . 4.300 4.224 4.076 4.302 0.002 17 0 "[ . 1 . 2]" 1
95 1 17 TRP H 1 62 PHE H . . 4.820 4.553 4.220 4.769 . 0 0 "[ . 1 . 2]" 1
96 1 31 GLU H 1 32 LEU H . . 3.370 2.733 2.165 3.149 . 0 0 "[ . 1 . 2]" 1
97 1 204 PHE H 1 205 LYS H . . 4.460 4.292 4.133 4.427 . 0 0 "[ . 1 . 2]" 1
98 1 205 LYS H 1 206 LEU H . . 4.050 3.714 3.193 4.054 0.004 14 0 "[ . 1 . 2]" 1
99 1 16 ASP H 1 63 VAL H . . 5.280 5.079 5.020 5.128 . 0 0 "[ . 1 . 2]" 1
100 1 154 ARG H 1 155 TYR H . . 4.630 4.352 4.175 4.540 . 0 0 "[ . 1 . 2]" 1
101 1 153 LEU H 1 154 ARG H . . 4.450 4.341 4.187 4.440 . 0 0 "[ . 1 . 2]" 1
102 1 19 ALA H 1 203 VAL H . . 5.280 5.009 4.798 5.112 . 0 0 "[ . 1 . 2]" 1
103 1 16 ASP H 1 62 PHE H . . 3.740 3.682 3.506 3.755 0.015 8 0 "[ . 1 . 2]" 1
104 1 161 TRP H 1 162 MET H . . 4.740 4.502 4.133 4.626 . 0 0 "[ . 1 . 2]" 1
105 1 11 GLY H 1 12 TYR H . . 4.550 4.345 4.168 4.502 . 0 0 "[ . 1 . 2]" 1
106 1 123 VAL H 1 148 ALA H . . 4.990 4.794 4.322 5.007 0.017 1 0 "[ . 1 . 2]" 1
107 1 122 GLY H 1 148 ALA H . . 3.660 3.432 3.084 3.663 0.003 5 0 "[ . 1 . 2]" 1
108 1 148 ALA H 1 149 PHE H . . 4.430 4.293 4.086 4.406 . 0 0 "[ . 1 . 2]" 1
109 1 110 ASP H 1 111 SER H . . 3.560 2.333 2.110 2.818 . 0 0 "[ . 1 . 2]" 1
110 1 19 ALA H 1 202 TYR H . . 3.330 3.222 3.038 3.335 0.005 9 0 "[ . 1 . 2]" 1
111 1 119 VAL H 1 120 GLY H . . 5.030 4.457 4.333 4.558 . 0 0 "[ . 1 . 2]" 1
112 1 120 GLY H 1 121 VAL H . . 5.370 4.389 4.241 4.477 . 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 66
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 17 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 162 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 163 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 164 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 165 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 167 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 168 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 194 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 195 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 196 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 197 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 198 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 199 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 200 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 201 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 202 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 204 PHE 0.000 0.000 . 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 17 TRP H 1 204 PHE O . . 2.700 2.000 1.995 2.005 . 0 0 "[ . 1 . 2]" 2
2 1 18 VAL H 1 60 ALA O . . 2.700 1.903 1.798 2.001 . 0 0 "[ . 1 . 2]" 2
3 1 19 ALA H 1 202 TYR O . . 2.700 1.958 1.833 2.004 . 0 0 "[ . 1 . 2]" 2
4 1 20 SER H 1 58 ASP O . . 2.700 1.944 1.851 2.000 . 0 0 "[ . 1 . 2]" 2
5 1 21 PHE H 1 200 ALA O . . 2.700 1.957 1.819 2.003 . 0 0 "[ . 1 . 2]" 2
6 1 22 ASN H 1 56 THR O . . 2.700 2.002 1.985 2.010 . 0 0 "[ . 1 . 2]" 2
7 1 57 PHE H 1 73 VAL O . . 2.700 2.002 1.996 2.007 . 0 0 "[ . 1 . 2]" 2
8 1 59 ILE H 1 71 PHE O . . 2.700 1.949 1.816 2.003 . 0 0 "[ . 1 . 2]" 2
9 1 61 TYR H 1 69 VAL O . . 2.700 1.947 1.799 2.003 . 0 0 "[ . 1 . 2]" 2
10 1 72 PHE H 1 102 ILE O . . 2.700 1.963 1.837 2.006 . 0 0 "[ . 1 . 2]" 2
11 1 70 ASP H 1 104 SER O . . 2.700 1.958 1.809 2.007 . 0 0 "[ . 1 . 2]" 2
12 1 68 ALA H 1 106 GLN O . . 2.700 1.990 1.905 2.010 . 0 0 "[ . 1 . 2]" 2
13 1 103 LEU H 1 123 VAL O . . 2.700 1.994 1.933 2.006 . 0 0 "[ . 1 . 2]" 2
14 1 105 LEU H 1 121 VAL O . . 2.700 1.880 1.791 2.000 . 0 0 "[ . 1 . 2]" 2
15 1 107 TYR H 1 119 VAL O . . 2.700 1.901 1.800 2.002 . 0 0 "[ . 1 . 2]" 2
16 1 124 GLY H 1 146 ALA O . . 2.700 1.914 1.801 2.003 . 0 0 "[ . 1 . 2]" 2
17 1 122 GLY H 1 148 ALA O . . 2.700 1.964 1.800 2.012 . 0 0 "[ . 1 . 2]" 2
18 1 120 GLY H 1 150 GLN O . . 2.700 1.967 1.856 2.004 . 0 0 "[ . 1 . 2]" 2
19 1 118 TYR H 1 152 GLY O . . 2.700 1.920 1.797 2.002 . 0 0 "[ . 1 . 2]" 2
20 1 116 TYR H 1 154 ARG O . . 2.700 2.001 1.984 2.007 . 0 0 "[ . 1 . 2]" 2
21 1 151 VAL H 1 167 VAL O . . 2.700 2.001 1.999 2.004 . 0 0 "[ . 1 . 2]" 2
22 1 153 LEU H 1 165 SER O . . 2.700 1.947 1.830 2.002 . 0 0 "[ . 1 . 2]" 2
23 1 155 TYR H 1 163 LEU O . . 2.700 1.952 1.802 2.002 . 0 0 "[ . 1 . 2]" 2
24 1 168 ARG H 1 195 ILE O . . 2.700 1.958 1.813 2.003 . 0 0 "[ . 1 . 2]" 2
25 1 166 ASP H 1 197 SER O . . 2.700 1.918 1.800 1.999 . 0 0 "[ . 1 . 2]" 2
26 1 164 ASN H 1 199 GLY O . . 2.700 1.985 1.831 2.003 . 0 0 "[ . 1 . 2]" 2
27 1 162 MET H 1 201 SER O . . 2.700 1.976 1.848 2.003 . 0 0 "[ . 1 . 2]" 2
28 1 27 TYR O 1 194 PHE H . . 2.700 1.978 1.882 2.002 . 0 0 "[ . 1 . 2]" 2
29 1 25 LYS O 1 196 LEU H . . 2.700 2.000 1.992 2.004 . 0 0 "[ . 1 . 2]" 2
30 1 23 PHE O 1 198 LEU H . . 2.700 2.003 1.998 2.012 . 0 0 "[ . 1 . 2]" 2
31 1 23 PHE H 1 198 LEU O . . 2.700 1.921 1.822 2.004 . 0 0 "[ . 1 . 2]" 2
32 1 25 LYS H 1 196 LEU O . . 2.700 1.996 1.965 2.001 . 0 0 "[ . 1 . 2]" 2
33 1 27 TYR H 1 194 PHE O . . 2.700 1.968 1.808 2.002 . 0 0 "[ . 1 . 2]" 2
34 1 116 TYR N 1 154 ARG O . . 3.930 2.843 2.730 2.977 . 0 0 "[ . 1 . 2]" 2
35 1 27 TYR N 1 194 PHE O . . 3.930 2.912 2.759 2.980 . 0 0 "[ . 1 . 2]" 2
36 1 19 ALA N 1 202 TYR O . . 3.930 2.816 2.743 2.915 . 0 0 "[ . 1 . 2]" 2
37 1 23 PHE N 1 198 LEU O . . 3.930 2.872 2.752 2.979 . 0 0 "[ . 1 . 2]" 2
38 1 70 ASP N 1 104 SER O . . 3.930 2.761 2.704 2.874 . 0 0 "[ . 1 . 2]" 2
39 1 153 LEU N 1 165 SER O . . 3.930 2.815 2.744 2.926 . 0 0 "[ . 1 . 2]" 2
40 1 25 LYS O 1 196 LEU N . . 3.930 2.959 2.932 2.979 . 0 0 "[ . 1 . 2]" 2
41 1 118 TYR N 1 152 GLY O . . 3.930 2.803 2.721 2.929 . 0 0 "[ . 1 . 2]" 2
42 1 122 GLY N 1 148 ALA O . . 3.930 2.903 2.771 2.990 . 0 0 "[ . 1 . 2]" 2
43 1 21 PHE N 1 200 ALA O . . 3.930 2.846 2.769 2.951 . 0 0 "[ . 1 . 2]" 2
44 1 68 ALA N 1 106 GLN O . . 3.930 2.923 2.774 2.981 . 0 0 "[ . 1 . 2]" 2
45 1 124 GLY N 1 146 ALA O . . 3.930 2.824 2.734 2.947 . 0 0 "[ . 1 . 2]" 2
46 1 162 MET N 1 201 SER O . . 3.930 2.902 2.746 2.982 . 0 0 "[ . 1 . 2]" 2
47 1 27 TYR O 1 194 PHE N . . 3.930 2.913 2.842 2.963 . 0 0 "[ . 1 . 2]" 2
48 1 120 GLY N 1 150 GLN O . . 3.930 2.839 2.733 2.980 . 0 0 "[ . 1 . 2]" 2
49 1 107 TYR N 1 119 VAL O . . 3.930 2.806 2.726 2.931 . 0 0 "[ . 1 . 2]" 2
50 1 57 PHE N 1 73 VAL O . . 3.930 2.849 2.790 2.934 . 0 0 "[ . 1 . 2]" 2
51 1 25 LYS N 1 196 LEU O . . 3.930 2.758 2.744 2.840 . 0 0 "[ . 1 . 2]" 2
52 1 151 VAL N 1 167 VAL O . . 3.930 2.948 2.910 2.978 . 0 0 "[ . 1 . 2]" 2
53 1 61 TYR N 1 69 VAL O . . 3.930 2.792 2.719 2.917 . 0 0 "[ . 1 . 2]" 2
54 1 18 VAL N 1 60 ALA O . . 3.930 2.806 2.738 2.970 . 0 0 "[ . 1 . 2]" 2
55 1 103 LEU N 1 123 VAL O . . 3.930 2.837 2.748 2.946 . 0 0 "[ . 1 . 2]" 2
56 1 166 ASP N 1 197 SER O . . 3.930 2.862 2.745 2.976 . 0 0 "[ . 1 . 2]" 2
57 1 17 TRP N 1 204 PHE O . . 3.930 2.901 2.826 2.931 . 0 0 "[ . 1 . 2]" 2
58 1 23 PHE O 1 198 LEU N . . 3.930 2.930 2.903 2.951 . 0 0 "[ . 1 . 2]" 2
59 1 22 ASN N 1 56 THR O . . 3.930 2.939 2.865 2.969 . 0 0 "[ . 1 . 2]" 2
60 1 164 ASN N 1 199 GLY O . . 3.930 2.923 2.758 2.978 . 0 0 "[ . 1 . 2]" 2
61 1 72 PHE N 1 102 ILE O . . 3.930 2.831 2.743 2.912 . 0 0 "[ . 1 . 2]" 2
62 1 20 SER N 1 58 ASP O . . 3.930 2.810 2.739 2.941 . 0 0 "[ . 1 . 2]" 2
63 1 59 ILE N 1 71 PHE O . . 3.930 2.829 2.748 2.924 . 0 0 "[ . 1 . 2]" 2
64 1 105 LEU N 1 121 VAL O . . 3.930 2.813 2.743 2.945 . 0 0 "[ . 1 . 2]" 2
65 1 168 ARG N 1 195 ILE O . . 3.930 2.906 2.748 2.979 . 0 0 "[ . 1 . 2]" 2
66 1 155 TYR N 1 163 LEU O . . 3.930 2.881 2.736 2.976 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, May 5, 2024 4:57:47 PM GMT (wattos1)