NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633745 |
6mf8   |
30513 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mf8
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 109
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 325.913
_Distance_constraint_stats_list.Viol_max 0.572
_Distance_constraint_stats_list.Viol_rms 0.0896
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0299
_Distance_constraint_stats_list.Viol_average_violations_only 0.1654
_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 9 PHE 0.031 0.028 8 0 "[ . 1]"
1 10 GLU 0.000 0.000 . 0 "[ . 1]"
1 11 THR 0.323 0.290 1 0 "[ . 1]"
1 12 ASP 0.292 0.290 1 0 "[ . 1]"
1 13 MET 0.469 0.468 7 0 "[ . 1]"
1 14 ASN 0.469 0.468 7 0 "[ . 1]"
1 15 LEU 0.016 0.015 5 0 "[ . 1]"
1 16 ASN 4.247 0.461 10 0 "[ . 1]"
1 17 PHE 4.275 0.461 10 0 "[ . 1]"
1 18 GLN 0.110 0.061 2 0 "[ . 1]"
1 19 ASN 0.207 0.067 4 0 "[ . 1]"
1 20 LEU 0.293 0.123 2 0 "[ . 1]"
1 21 SER 3.408 0.366 3 0 "[ . 1]"
1 22 VAL 0.000 0.000 . 0 "[ . 1]"
1 23 MET 0.039 0.031 4 0 "[ . 1]"
1 24 GLY 0.504 0.123 2 0 "[ . 1]"
1 25 LEU 9.327 0.572 3 1 "[ + . 1]"
1 26 ARG 2.892 0.381 2 0 "[ . 1]"
1 27 ILE 9.184 0.572 3 1 "[ + . 1]"
1 28 LEU 3.081 0.381 2 0 "[ . 1]"
1 29 LEU 6.626 0.339 2 0 "[ . 1]"
1 30 LEU 3.377 0.362 8 0 "[ . 1]"
1 31 LYS 0.396 0.052 1 0 "[ . 1]"
1 32 VAL 1.605 0.418 9 0 "[ . 1]"
1 33 ALA 2.242 0.504 6 1 "[ .+ 1]"
1 34 GLY 3.512 0.418 9 0 "[ . 1]"
1 35 PHE 1.290 0.280 6 0 "[ . 1]"
1 36 ASN 0.006 0.006 6 0 "[ . 1]"
1 37 LEU 1.812 0.504 6 1 "[ .+ 1]"
1 38 LEU 1.978 0.337 1 0 "[ . 1]"
1 39 MET 0.026 0.014 4 0 "[ . 1]"
1 40 THR 0.007 0.007 6 0 "[ . 1]"
1 41 LEU 0.000 0.000 . 0 "[ . 1]"
1 42 ARG 0.000 0.000 . 0 "[ . 1]"
1 43 LEU 0.000 0.000 . 0 "[ . 1]"
1 44 TRP 0.000 0.000 . 0 "[ . 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 15 LEU H 1 15 LEU MD2 . . 4.670 4.304 3.073 4.685 0.015 5 0 "[ . 1]" 1
2 1 15 LEU MD2 1 16 ASN H . . 4.630 4.210 3.614 4.569 . 0 0 "[ . 1]" 1
3 1 11 THR H 1 12 ASP H . . 4.050 3.878 3.057 4.340 0.290 1 0 "[ . 1]" 1
4 1 15 LEU H 1 16 ASN H . . 2.900 2.492 2.099 2.805 . 0 0 "[ . 1]" 1
5 1 16 ASN H 1 17 PHE H . . 3.330 3.755 3.737 3.791 0.461 10 0 "[ . 1]" 1
6 1 10 GLU H 1 11 THR H . . 4.440 2.870 1.899 3.930 . 0 0 "[ . 1]" 1
7 1 12 ASP H 1 13 MET H . . 3.630 2.464 2.007 2.977 . 0 0 "[ . 1]" 1
8 1 14 ASN H 1 15 LEU H . . 8.000 4.329 3.941 4.636 . 0 0 "[ . 1]" 1
9 1 9 PHE H 1 10 GLU H . . 4.000 2.218 1.929 2.778 . 0 0 "[ . 1]" 1
10 1 9 PHE H 1 11 THR H . . 4.410 4.364 4.199 4.438 0.028 8 0 "[ . 1]" 1
11 1 13 MET H 1 14 ASN H . . 3.790 3.368 2.767 4.258 0.468 7 0 "[ . 1]" 1
12 1 43 LEU H 1 44 TRP H . . 3.810 1.946 1.925 1.990 . 0 0 "[ . 1]" 1
13 1 38 LEU H 1 38 LEU MD2 . . 4.430 3.680 3.536 3.829 . 0 0 "[ . 1]" 1
14 1 20 LEU MD2 1 21 SER H . . 4.230 4.021 3.234 4.291 0.061 4 0 "[ . 1]" 1
15 1 28 LEU H 1 28 LEU MD2 . . 4.180 3.330 2.674 3.545 . 0 0 "[ . 1]" 1
16 1 37 LEU H 1 37 LEU MD2 . . 4.510 3.851 3.692 4.221 . 0 0 "[ . 1]" 1
17 1 19 ASN H 1 20 LEU MD2 . . 4.600 4.029 3.635 4.287 . 0 0 "[ . 1]" 1
18 1 21 SER H 1 22 VAL MG2 . . 4.310 3.792 3.652 4.215 . 0 0 "[ . 1]" 1
19 1 25 LEU MD2 1 29 LEU H . . 5.140 5.302 5.180 5.363 0.223 6 0 "[ . 1]" 1
20 1 27 ILE MD 1 28 LEU H . . 4.620 4.332 4.307 4.366 . 0 0 "[ . 1]" 1
21 1 25 LEU H 1 27 ILE MD . . 4.900 5.351 5.311 5.472 0.572 3 1 "[ + . 1]" 1
22 1 27 ILE MD 1 29 LEU H . . 5.540 5.682 5.657 5.702 0.162 6 0 "[ . 1]" 1
23 1 24 GLY H 1 27 ILE MD . . 5.880 4.880 4.599 5.022 . 0 0 "[ . 1]" 1
24 1 27 ILE H 1 28 LEU MD2 . . 5.320 5.157 4.376 5.440 0.120 9 0 "[ . 1]" 1
25 1 28 LEU MD2 1 29 LEU H . . 4.680 3.626 2.248 4.640 . 0 0 "[ . 1]" 1
26 1 28 LEU MD2 1 31 LYS H . . 4.840 4.735 4.638 4.812 . 0 0 "[ . 1]" 1
27 1 34 GLY H 1 37 LEU MD2 . . 5.020 4.862 4.327 5.236 0.216 1 0 "[ . 1]" 1
28 1 37 LEU MD2 1 41 LEU H . . 5.010 4.157 3.510 4.889 . 0 0 "[ . 1]" 1
29 1 30 LEU MD2 1 32 VAL MG2 . . 8.000 6.556 6.512 6.583 . 0 0 "[ . 1]" 1
30 1 20 LEU H 1 20 LEU MD2 . . 4.370 2.114 1.946 2.356 . 0 0 "[ . 1]" 1
31 1 25 LEU H 1 25 LEU MD2 . . 3.940 2.430 2.293 2.810 . 0 0 "[ . 1]" 1
32 1 24 GLY H 1 25 LEU MD2 . . 5.000 4.177 3.922 5.010 0.010 4 0 "[ . 1]" 1
33 1 25 LEU MD2 1 27 ILE H . . 5.540 5.189 4.239 5.333 . 0 0 "[ . 1]" 1
34 1 25 LEU MD2 1 28 LEU H . . 5.140 4.869 4.738 5.229 0.089 3 0 "[ . 1]" 1
35 1 30 LEU H 1 30 LEU MD2 . . 3.760 4.072 4.034 4.122 0.362 8 0 "[ . 1]" 1
36 1 37 LEU H 1 38 LEU MD2 . . 5.280 5.305 5.100 5.342 0.062 3 0 "[ . 1]" 1
37 1 38 LEU MD2 1 39 MET H . . 4.950 3.320 2.615 3.923 . 0 0 "[ . 1]" 1
38 1 41 LEU H 1 41 LEU MD2 . . 4.530 3.816 3.755 3.874 . 0 0 "[ . 1]" 1
39 1 43 LEU H 1 43 LEU MD2 . . 3.980 3.840 3.692 3.916 . 0 0 "[ . 1]" 1
40 1 30 LEU MD2 1 33 ALA H . . 8.000 6.367 6.124 6.485 . 0 0 "[ . 1]" 1
41 1 29 LEU MD2 1 31 LYS H . . 8.000 4.278 4.255 4.299 . 0 0 "[ . 1]" 1
42 1 20 LEU MD2 1 23 MET H . . 6.330 5.486 5.159 6.241 . 0 0 "[ . 1]" 1
43 1 22 VAL H 1 22 VAL MG2 . . 3.100 1.948 1.901 2.165 . 0 0 "[ . 1]" 1
44 1 22 VAL MG2 1 26 ARG H . . 8.000 5.292 5.203 5.640 . 0 0 "[ . 1]" 1
45 1 28 LEU MD2 1 32 VAL H . . 5.510 4.938 4.221 5.535 0.025 1 0 "[ . 1]" 1
46 1 29 LEU MD2 1 32 VAL H . . 8.000 5.006 4.912 5.081 . 0 0 "[ . 1]" 1
47 1 32 VAL MG2 1 34 GLY H . . 4.380 4.167 4.025 4.332 . 0 0 "[ . 1]" 1
48 1 32 VAL H 1 32 VAL MG2 . . 2.920 1.980 1.886 2.058 . 0 0 "[ . 1]" 1
49 1 32 VAL MG2 1 33 ALA H . . 3.030 2.280 2.070 2.453 . 0 0 "[ . 1]" 1
50 1 29 LEU H 1 32 VAL MG2 . . 4.910 3.998 3.856 4.232 . 0 0 "[ . 1]" 1
51 1 20 LEU MD2 1 24 GLY H . . 5.770 5.079 4.607 5.893 0.123 2 0 "[ . 1]" 1
52 1 21 SER H 1 25 LEU MD2 . . 5.710 5.273 5.023 5.835 0.125 2 0 "[ . 1]" 1
53 1 17 PHE H 1 18 GLN H . . 3.400 2.650 2.431 2.787 . 0 0 "[ . 1]" 1
54 1 19 ASN H 1 20 LEU H . . 3.360 2.866 2.659 2.988 . 0 0 "[ . 1]" 1
55 1 18 GLN H 1 20 LEU H . . 4.670 4.610 4.408 4.731 0.061 2 0 "[ . 1]" 1
56 1 21 SER H 1 22 VAL H . . 3.850 2.685 2.632 2.702 . 0 0 "[ . 1]" 1
57 1 21 SER H 1 23 MET H . . 5.080 3.874 3.785 4.183 . 0 0 "[ . 1]" 1
58 1 22 VAL MG2 1 23 MET H . . 4.630 2.271 1.885 3.803 . 0 0 "[ . 1]" 1
59 1 23 MET H 1 24 GLY H . . 3.650 2.579 2.502 2.598 . 0 0 "[ . 1]" 1
60 1 24 GLY H 1 25 LEU H . . 3.220 2.729 2.666 2.937 . 0 0 "[ . 1]" 1
61 1 25 LEU H 1 27 ILE H . . 4.420 3.971 3.906 4.112 . 0 0 "[ . 1]" 1
62 1 23 MET H 1 25 LEU H . . 4.320 4.016 3.877 4.351 0.031 4 0 "[ . 1]" 1
63 1 24 GLY H 1 26 ARG H . . 4.200 4.203 3.971 4.279 0.079 4 0 "[ . 1]" 1
64 1 27 ILE H 1 28 LEU H . . 3.080 2.607 2.568 2.635 . 0 0 "[ . 1]" 1
65 1 26 ARG H 1 27 ILE H . . 3.100 2.528 2.476 2.670 . 0 0 "[ . 1]" 1
66 1 27 ILE H 1 29 LEU H . . 3.880 4.173 4.118 4.219 0.339 2 0 "[ . 1]" 1
67 1 24 GLY H 1 27 ILE H . . 4.870 4.665 4.594 4.711 . 0 0 "[ . 1]" 1
68 1 33 ALA H 1 35 PHE H . . 3.720 3.849 3.756 4.000 0.280 6 0 "[ . 1]" 1
69 1 35 PHE H 1 36 ASN H . . 3.830 3.255 3.051 3.544 . 0 0 "[ . 1]" 1
70 1 26 ARG H 1 28 LEU H . . 3.810 4.072 3.982 4.191 0.381 2 0 "[ . 1]" 1
71 1 26 ARG H 1 29 LEU H . . 8.000 4.735 4.646 4.901 . 0 0 "[ . 1]" 1
72 1 28 LEU H 1 29 LEU H . . 2.780 2.586 2.543 2.631 . 0 0 "[ . 1]" 1
73 1 31 LYS H 1 32 VAL H . . 2.940 2.438 2.378 2.518 . 0 0 "[ . 1]" 1
74 1 29 LEU H 1 31 LYS H . . 3.910 3.950 3.936 3.962 0.052 1 0 "[ . 1]" 1
75 1 32 VAL H 1 33 ALA H . . 2.740 2.189 2.068 2.302 . 0 0 "[ . 1]" 1
76 1 33 ALA H 1 34 GLY H . . 3.190 2.439 2.227 2.807 . 0 0 "[ . 1]" 1
77 1 36 ASN H 1 37 LEU H . . 3.930 2.791 2.648 3.012 . 0 0 "[ . 1]" 1
78 1 38 LEU H 1 39 MET H . . 3.230 2.756 2.744 2.771 . 0 0 "[ . 1]" 1
79 1 37 LEU H 1 38 LEU H . . 3.290 2.648 2.448 2.870 . 0 0 "[ . 1]" 1
80 1 36 ASN H 1 38 LEU H . . 4.800 2.978 2.592 4.545 . 0 0 "[ . 1]" 1
81 1 38 LEU H 1 40 THR H . . 4.500 4.452 4.403 4.507 0.007 6 0 "[ . 1]" 1
82 1 39 MET H 1 40 THR H . . 3.380 2.653 2.540 2.781 . 0 0 "[ . 1]" 1
83 1 37 LEU H 1 39 MET H . . 4.170 4.058 3.639 4.184 0.014 4 0 "[ . 1]" 1
84 1 17 PHE H 1 19 ASN H . . 4.340 4.244 4.095 4.367 0.027 4 0 "[ . 1]" 1
85 1 18 GLN H 1 19 ASN H . . 3.360 2.747 2.496 2.890 . 0 0 "[ . 1]" 1
86 1 30 LEU H 1 31 LYS H . . 2.860 2.497 2.440 2.542 . 0 0 "[ . 1]" 1
87 1 30 LEU H 1 32 VAL MG2 . . 4.660 4.125 4.027 4.269 . 0 0 "[ . 1]" 1
88 1 31 LYS H 1 32 VAL MG2 . . 3.780 3.657 3.580 3.759 . 0 0 "[ . 1]" 1
89 1 34 GLY H 1 36 ASN H . . 5.150 4.510 4.068 5.156 0.006 6 0 "[ . 1]" 1
90 1 42 ARG H 1 43 LEU H . . 5.610 2.782 2.747 2.804 . 0 0 "[ . 1]" 1
91 1 40 THR H 1 41 LEU H . . 4.530 2.832 2.714 2.969 . 0 0 "[ . 1]" 1
92 1 35 PHE H 1 37 LEU H . . 4.770 4.146 3.211 4.440 . 0 0 "[ . 1]" 1
93 1 33 ALA H 1 37 LEU H . . 5.200 4.996 4.581 5.704 0.504 6 1 "[ .+ 1]" 1
94 1 29 LEU H 1 33 ALA H . . 8.000 5.900 5.735 6.136 . 0 0 "[ . 1]" 1
95 1 29 LEU H 1 32 VAL H . . 8.000 4.780 4.653 4.982 . 0 0 "[ . 1]" 1
96 1 21 SER H 1 25 LEU H . . 5.140 5.413 5.223 5.506 0.366 3 0 "[ . 1]" 1
97 1 18 GLN H 1 21 SER H . . 4.840 4.718 4.642 4.838 . 0 0 "[ . 1]" 1
98 1 19 ASN H 1 21 SER H . . 3.800 3.782 3.686 3.867 0.067 4 0 "[ . 1]" 1
99 1 20 LEU H 1 21 SER H . . 3.110 2.594 2.568 2.604 . 0 0 "[ . 1]" 1
100 1 21 SER H 1 24 GLY H . . 4.250 4.162 4.097 4.333 0.083 4 0 "[ . 1]" 1
101 1 25 LEU H 1 28 LEU H . . 5.450 4.725 4.631 4.863 . 0 0 "[ . 1]" 1
102 1 29 LEU H 1 30 LEU H . . 2.780 2.805 2.779 2.838 0.058 9 0 "[ . 1]" 1
103 1 30 LEU H 1 32 VAL H . . 8.000 4.023 3.891 4.071 . 0 0 "[ . 1]" 1
104 1 32 VAL H 1 34 GLY H . . 3.610 3.737 3.521 4.028 0.418 9 0 "[ . 1]" 1
105 1 34 GLY H 1 38 LEU H . . 4.470 4.624 4.490 4.807 0.337 1 0 "[ . 1]" 1
106 1 41 LEU H 1 42 ARG H . . 3.050 2.672 2.507 2.776 . 0 0 "[ . 1]" 1
107 1 27 ILE H 1 27 ILE MD . . 3.920 2.421 2.376 2.456 . 0 0 "[ . 1]" 1
108 1 29 LEU H 1 29 LEU MD2 . . 3.990 3.514 3.443 3.557 . 0 0 "[ . 1]" 1
109 1 16 ASN H 1 18 GLN H . . 4.480 3.567 3.165 4.387 . 0 0 "[ . 1]" 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 26
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 16.052
_Distance_constraint_stats_list.Viol_max 0.111
_Distance_constraint_stats_list.Viol_rms 0.0206
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_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 PHE 0.007 0.007 2 0 "[ . 1]"
1 18 GLN 0.003 0.002 10 0 "[ . 1]"
1 19 ASN 0.023 0.019 2 0 "[ . 1]"
1 20 LEU 0.000 0.000 . 0 "[ . 1]"
1 21 SER 0.071 0.012 5 0 "[ . 1]"
1 22 VAL 0.080 0.011 8 0 "[ . 1]"
1 23 MET 0.023 0.019 2 0 "[ . 1]"
1 24 GLY 0.147 0.029 3 0 "[ . 1]"
1 25 LEU 0.071 0.012 5 0 "[ . 1]"
1 26 ARG 1.119 0.111 5 0 "[ . 1]"
1 27 ILE 0.236 0.034 9 0 "[ . 1]"
1 28 LEU 0.147 0.029 3 0 "[ . 1]"
1 29 LEU 0.007 0.007 3 0 "[ . 1]"
1 30 LEU 1.042 0.111 5 0 "[ . 1]"
1 31 LYS 0.236 0.034 9 0 "[ . 1]"
1 32 VAL 0.000 0.000 . 0 "[ . 1]"
1 33 ALA 0.000 0.000 . 0 "[ . 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 17 PHE O 1 21 SER N . . 3.100 2.901 2.738 3.107 0.007 2 0 "[ . 1]" 2
2 1 17 PHE O 1 21 SER H . . 2.400 2.137 1.951 2.378 . 0 0 "[ . 1]" 2
3 1 18 GLN O 1 22 VAL N . . 3.100 2.912 2.739 3.102 0.002 10 0 "[ . 1]" 2
4 1 18 GLN O 1 22 VAL H . . 2.400 1.942 1.769 2.143 . 0 0 "[ . 1]" 2
5 1 19 ASN O 1 23 MET N . . 3.100 2.802 2.718 3.119 0.019 2 0 "[ . 1]" 2
6 1 19 ASN O 1 23 MET H . . 2.400 1.880 1.805 2.150 . 0 0 "[ . 1]" 2
7 1 20 LEU O 1 24 GLY N . . 3.100 2.703 2.625 2.727 . 0 0 "[ . 1]" 2
8 1 20 LEU O 1 24 GLY H . . 2.400 2.001 1.904 2.035 . 0 0 "[ . 1]" 2
9 1 21 SER O 1 25 LEU N . . 3.100 3.024 2.676 3.112 0.012 5 0 "[ . 1]" 2
10 1 21 SER O 1 25 LEU H . . 2.400 2.193 1.777 2.328 . 0 0 "[ . 1]" 2
11 1 22 VAL O 1 26 ARG N . . 3.100 3.108 3.103 3.111 0.011 8 0 "[ . 1]" 2
12 1 22 VAL O 1 26 ARG H . . 2.400 2.244 2.228 2.307 . 0 0 "[ . 1]" 2
13 1 23 MET O 1 27 ILE N . . 3.100 2.735 2.688 2.761 . 0 0 "[ . 1]" 2
14 1 23 MET O 1 27 ILE H . . 2.400 1.827 1.796 1.894 . 0 0 "[ . 1]" 2
15 1 24 GLY O 1 28 LEU N . . 3.100 3.115 3.108 3.129 0.029 3 0 "[ . 1]" 2
16 1 24 GLY O 1 28 LEU H . . 2.400 2.239 2.211 2.284 . 0 0 "[ . 1]" 2
17 1 25 LEU O 1 29 LEU N . . 3.100 3.052 2.990 3.107 0.007 3 0 "[ . 1]" 2
18 1 25 LEU O 1 29 LEU H . . 2.400 2.124 2.038 2.184 . 0 0 "[ . 1]" 2
19 1 26 ARG O 1 30 LEU N . . 3.100 3.204 3.194 3.211 0.111 5 0 "[ . 1]" 2
20 1 26 ARG O 1 30 LEU H . . 2.400 2.269 2.252 2.287 . 0 0 "[ . 1]" 2
21 1 27 ILE O 1 31 LYS N . . 3.100 3.124 3.115 3.134 0.034 9 0 "[ . 1]" 2
22 1 27 ILE O 1 31 LYS H . . 2.400 2.383 2.364 2.397 . 0 0 "[ . 1]" 2
23 1 28 LEU O 1 32 VAL N . . 3.100 2.821 2.620 3.057 . 0 0 "[ . 1]" 2
24 1 28 LEU O 1 32 VAL H . . 2.400 2.026 1.832 2.329 . 0 0 "[ . 1]" 2
25 1 29 LEU O 1 33 ALA N . . 3.100 2.769 2.735 2.851 . 0 0 "[ . 1]" 2
26 1 29 LEU O 1 33 ALA H . . 2.400 1.941 1.811 2.090 . 0 0 "[ . 1]" 2
stop_
save_
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