NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
608820 |
5kx0   |
30144 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5kx0
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 108
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 17.921
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0236
_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 ASN 0.017 0.017 19 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.034 0.017 8 0 "[ . 1 . 2]"
1 4 LEU 0.352 0.051 14 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.048 0.036 8 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 CYS 0.011 0.011 13 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.430 0.049 7 0 "[ . 1 . 2]"
1 11 LEU 0.153 0.045 20 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 0.038 0.017 9 0 "[ . 1 . 2]"
1 15 DPR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASP 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 1 ASN HA 1 2 PRO HD2 2.685 . 3.570 2.346 1.967 2.652 . 0 0 "[ . 1 . 2]" 1
2 1 1 ASN HA 1 2 PRO HD3 2.685 . 3.570 2.154 1.940 2.478 . 0 0 "[ . 1 . 2]" 1
3 1 1 ASN HA 1 3 GLU H 3.560 . 5.320 4.133 3.706 4.718 . 0 0 "[ . 1 . 2]" 1
4 1 4 LEU HA 1 4 LEU MD2 3.130 . 4.460 3.187 1.998 3.910 . 0 0 "[ . 1 . 2]" 1
5 1 4 LEU H 1 4 LEU MD1 3.505 . 5.210 3.672 2.226 4.167 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU H 1 4 LEU MD2 3.505 . 5.210 3.573 2.176 4.276 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU H 1 4 LEU HB3 2.665 . 3.530 3.129 2.435 3.581 0.051 14 0 "[ . 1 . 2]" 1
8 1 4 LEU H 1 4 LEU HB2 2.665 . 3.530 2.429 2.262 2.600 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU HB2 1 4 LEU H 2.930 . 4.060 3.242 2.148 4.014 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HB3 1 4 LEU H 2.930 . 4.060 3.184 2.151 4.077 0.017 8 0 "[ . 1 . 2]" 1
11 1 3 GLU H 1 4 LEU H 2.710 . 3.620 2.622 2.372 2.874 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU HB2 1 5 GLN H 2.995 . 4.190 3.115 2.546 3.901 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU HB3 1 5 GLN H 2.995 . 4.190 3.069 2.326 3.745 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLN H 1 5 GLN HB2 2.925 . 4.050 2.473 2.312 2.622 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLN H 1 5 GLN HB3 2.925 . 4.050 3.603 3.550 3.652 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLN H 1 5 GLN HG2 3.095 . 4.390 3.010 2.136 3.613 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLN H 1 5 GLN HG3 3.095 . 4.390 2.835 2.085 3.814 . 0 0 "[ . 1 . 2]" 1
18 1 2 PRO HA 1 5 GLN H 2.885 . 3.970 3.601 3.200 3.962 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLN H 1 6 ARG H 2.795 . 3.790 2.688 2.538 2.800 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU H 1 5 GLN H 2.665 . 3.530 2.563 2.336 2.824 . 0 0 "[ . 1 . 2]" 1
21 1 6 ARG HA 1 6 ARG HG2 2.975 . 4.150 3.023 2.381 3.865 . 0 0 "[ . 1 . 2]" 1
22 1 6 ARG HA 1 6 ARG HG3 2.975 . 4.150 3.100 2.632 3.749 . 0 0 "[ . 1 . 2]" 1
23 1 6 ARG H 1 6 ARG HB2 2.780 . 3.760 2.632 2.211 3.697 . 0 0 "[ . 1 . 2]" 1
24 1 6 ARG H 1 6 ARG HB3 2.780 . 3.760 3.061 2.434 3.693 . 0 0 "[ . 1 . 2]" 1
25 1 6 ARG H 1 6 ARG HG2 3.290 . 4.780 3.716 2.270 4.663 . 0 0 "[ . 1 . 2]" 1
26 1 6 ARG H 1 6 ARG HG3 3.290 . 4.780 3.506 2.250 4.588 . 0 0 "[ . 1 . 2]" 1
27 1 6 ARG H 1 6 ARG HD2 3.650 . 5.500 4.813 3.842 5.536 0.036 8 0 "[ . 1 . 2]" 1
28 1 6 ARG H 1 6 ARG HD3 3.650 . 5.500 4.536 3.708 5.290 . 0 0 "[ . 1 . 2]" 1
29 1 2 PRO HA 1 6 ARG H 3.375 . 4.950 3.989 3.507 4.450 . 0 0 "[ . 1 . 2]" 1
30 1 6 ARG H 1 7 LYS H 3.060 . 4.320 2.632 2.407 2.836 . 0 0 "[ . 1 . 2]" 1
31 1 7 LYS H 1 7 LYS HG2 3.650 . 5.500 4.005 2.251 4.593 . 0 0 "[ . 1 . 2]" 1
32 1 7 LYS H 1 7 LYS HG3 3.650 . 5.500 4.189 2.441 4.552 . 0 0 "[ . 1 . 2]" 1
33 1 7 LYS H 1 8 CYS H 2.675 . 3.550 2.714 2.463 2.893 . 0 0 "[ . 1 . 2]" 1
34 1 8 CYS H 1 8 CYS HB2 2.755 . 3.710 2.524 2.409 2.692 . 0 0 "[ . 1 . 2]" 1
35 1 8 CYS H 1 8 CYS HB3 2.755 . 3.710 3.569 3.533 3.623 . 0 0 "[ . 1 . 2]" 1
36 1 9 LYS H 1 9 LYS HG2 3.565 . 5.330 3.937 2.288 4.693 . 0 0 "[ . 1 . 2]" 1
37 1 9 LYS H 1 9 LYS HG3 3.565 . 5.330 3.810 2.105 4.541 . 0 0 "[ . 1 . 2]" 1
38 1 8 CYS HB2 1 9 LYS H 3.010 . 4.220 2.616 2.277 2.912 . 0 0 "[ . 1 . 2]" 1
39 1 8 CYS HB3 1 9 LYS H 3.010 . 4.220 3.709 3.445 3.905 . 0 0 "[ . 1 . 2]" 1
40 1 9 LYS H 1 10 GLU H 2.780 . 3.760 2.505 2.321 2.735 . 0 0 "[ . 1 . 2]" 1
41 1 9 LYS HB2 1 10 GLU H 3.150 . 4.500 3.528 2.657 4.096 . 0 0 "[ . 1 . 2]" 1
42 1 9 LYS HB3 1 10 GLU H 3.150 . 4.500 3.232 2.407 4.011 . 0 0 "[ . 1 . 2]" 1
43 1 10 GLU H 1 11 LEU HB2 3.270 . 4.740 4.646 4.413 4.785 0.045 20 0 "[ . 1 . 2]" 1
44 1 8 CYS HA 1 10 GLU H 3.575 . 5.350 4.274 3.946 4.492 . 0 0 "[ . 1 . 2]" 1
45 1 10 GLU H 1 11 LEU H 3.130 . 4.460 2.449 2.317 2.663 . 0 0 "[ . 1 . 2]" 1
46 1 11 LEU H 1 11 LEU MD1 3.455 . 5.110 3.958 3.661 4.192 . 0 0 "[ . 1 . 2]" 1
47 1 11 LEU H 1 11 LEU MD2 3.455 . 5.110 3.832 2.477 4.259 . 0 0 "[ . 1 . 2]" 1
48 1 11 LEU H 1 11 LEU HB3 2.860 . 3.920 2.967 2.372 3.647 . 0 0 "[ . 1 . 2]" 1
49 1 11 LEU H 1 11 LEU HB2 2.480 . 3.160 2.455 2.269 2.639 . 0 0 "[ . 1 . 2]" 1
50 1 10 GLU HB2 1 11 LEU H 3.240 . 4.680 3.496 2.504 4.025 . 0 0 "[ . 1 . 2]" 1
51 1 10 GLU HB3 1 11 LEU H 3.240 . 4.680 3.115 2.281 4.196 . 0 0 "[ . 1 . 2]" 1
52 1 8 CYS HA 1 11 LEU H 3.200 . 4.600 3.423 3.125 3.848 . 0 0 "[ . 1 . 2]" 1
53 1 13 THR HA 1 13 THR MG 2.610 . 3.420 2.668 2.242 3.244 . 0 0 "[ . 1 . 2]" 1
54 1 13 THR H 1 13 THR MG 2.875 . 3.950 2.833 2.040 3.900 . 0 0 "[ . 1 . 2]" 1
55 1 13 THR H 1 14 ARG HB2 3.300 . 4.800 4.257 3.786 4.762 . 0 0 "[ . 1 . 2]" 1
56 1 13 THR H 1 14 ARG H 2.605 . 3.410 2.160 1.875 2.765 . 0 0 "[ . 1 . 2]" 1
57 1 14 ARG HA 1 15 DPR HG2 3.650 . 5.500 4.534 4.176 4.733 . 0 0 "[ . 1 . 2]" 1
58 1 14 ARG HA 1 15 DPR HD2 2.695 . 3.590 2.526 2.043 2.777 . 0 0 "[ . 1 . 2]" 1
59 1 13 THR MG 1 14 ARG H 3.510 . 5.220 3.803 2.888 4.336 . 0 0 "[ . 1 . 2]" 1
60 1 14 ARG H 1 14 ARG HG2 3.350 . 4.900 3.255 2.201 4.114 . 0 0 "[ . 1 . 2]" 1
61 1 14 ARG H 1 14 ARG HG3 3.350 . 4.900 3.032 2.254 4.041 . 0 0 "[ . 1 . 2]" 1
62 1 11 LEU HB3 1 14 ARG H 3.240 . 4.680 4.007 3.050 4.697 0.017 9 0 "[ . 1 . 2]" 1
63 1 14 ARG H 1 14 ARG HB2 2.495 . 3.190 2.422 2.260 2.570 . 0 0 "[ . 1 . 2]" 1
64 1 8 CYS H 1 9 LYS H 2.755 . 3.710 2.681 2.468 2.906 . 0 0 "[ . 1 . 2]" 1
65 1 25 SER H 1 25 SER HB3 2.810 . 3.820 3.281 2.442 3.742 . 0 0 "[ . 1 . 2]" 1
66 1 25 SER H 1 25 SER HB2 2.810 . 3.820 2.779 2.446 3.765 . 0 0 "[ . 1 . 2]" 1
67 1 25 SER H 1 26 ASP H 3.355 . 4.910 4.347 3.726 4.597 . 0 0 "[ . 1 . 2]" 1
68 1 26 ASP H 1 26 ASP HB2 2.990 . 4.180 3.153 2.421 3.833 . 0 0 "[ . 1 . 2]" 1
69 1 26 ASP H 1 26 ASP HB3 2.990 . 4.180 3.028 2.457 3.764 . 0 0 "[ . 1 . 2]" 1
70 1 25 SER HA 1 26 ASP H 2.410 . 3.020 2.254 2.079 2.451 . 0 0 "[ . 1 . 2]" 1
71 1 8 CYS HA 1 11 LEU HB2 2.995 . 4.190 3.183 2.468 4.201 0.011 13 0 "[ . 1 . 2]" 1
72 1 4 LEU HA 1 4 LEU MD1 3.130 . 4.460 2.600 1.951 3.855 . 0 0 "[ . 1 . 2]" 1
73 1 1 ASN HA 1 1 ASN QD 3.195 . 4.590 3.090 1.898 4.087 . 0 0 "[ . 1 . 2]" 1
74 1 1 ASN HA 1 2 PRO QD 2.375 . 2.950 1.947 1.890 2.035 . 0 0 "[ . 1 . 2]" 1
75 1 1 ASN QB 1 1 ASN QD 2.515 . 3.230 2.252 2.124 2.743 . 0 0 "[ . 1 . 2]" 1
76 1 1 ASN QB 1 3 GLU H 3.005 . 4.210 3.485 2.769 4.227 0.017 19 0 "[ . 1 . 2]" 1
77 1 2 PRO QG 1 3 GLU H 2.955 . 4.110 3.458 2.379 3.920 . 0 0 "[ . 1 . 2]" 1
78 1 2 PRO QD 1 3 GLU H 2.910 . 4.020 2.915 2.308 3.223 . 0 0 "[ . 1 . 2]" 1
79 1 3 GLU H 1 3 GLU QG 3.205 . 4.610 3.188 2.027 4.068 . 0 0 "[ . 1 . 2]" 1
80 1 3 GLU HA 1 3 GLU QG 2.715 . 3.630 2.729 2.373 3.091 . 0 0 "[ . 1 . 2]" 1
81 1 3 GLU QG 1 4 LEU H 3.265 . 4.730 3.965 3.306 4.681 . 0 0 "[ . 1 . 2]" 1
82 1 4 LEU H 1 4 LEU QD 3.140 . 4.480 3.058 2.162 3.748 . 0 0 "[ . 1 . 2]" 1
83 1 4 LEU HA 1 4 LEU QD 2.560 . 3.320 2.129 1.925 2.649 . 0 0 "[ . 1 . 2]" 1
84 1 4 LEU QD 1 25 SER QB 3.310 . 4.820 2.576 1.885 4.135 . 0 0 "[ . 1 . 2]" 1
85 1 5 GLN H 1 5 GLN QB 2.560 . 3.320 2.431 2.284 2.565 . 0 0 "[ . 1 . 2]" 1
86 1 5 GLN H 1 5 GLN QG 2.700 . 3.600 2.269 2.064 2.531 . 0 0 "[ . 1 . 2]" 1
87 1 6 ARG H 1 6 ARG QB 2.470 . 3.140 2.358 2.155 2.652 . 0 0 "[ . 1 . 2]" 1
88 1 6 ARG H 1 6 ARG QG 2.915 . 4.030 3.053 2.227 4.042 0.012 13 0 "[ . 1 . 2]" 1
89 1 6 ARG HA 1 6 ARG QG 2.725 . 3.650 2.644 2.322 3.365 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS H 1 7 LYS QB 2.410 . 3.020 2.269 2.137 2.459 . 0 0 "[ . 1 . 2]" 1
91 1 7 LYS H 1 7 LYS QG 3.250 . 4.700 3.559 2.230 4.038 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS QB 1 8 CYS H 2.600 . 3.400 2.523 2.266 3.129 . 0 0 "[ . 1 . 2]" 1
93 1 8 CYS H 1 8 CYS QB 2.440 . 3.080 2.475 2.371 2.621 . 0 0 "[ . 1 . 2]" 1
94 1 8 CYS QB 1 9 LYS H 2.640 . 3.480 2.565 2.246 2.835 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS H 1 9 LYS QB 2.460 . 3.120 2.312 2.196 2.463 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS H 1 9 LYS QG 3.175 . 4.550 3.313 2.087 4.109 . 0 0 "[ . 1 . 2]" 1
97 1 9 LYS QB 1 10 GLU H 2.860 . 3.920 2.781 2.380 3.113 . 0 0 "[ . 1 . 2]" 1
98 1 10 GLU H 1 10 GLU QB 2.560 . 3.320 2.314 2.171 2.734 . 0 0 "[ . 1 . 2]" 1
99 1 10 GLU H 1 10 GLU QG 2.860 . 3.920 3.300 2.066 3.969 0.049 7 0 "[ . 1 . 2]" 1
100 1 10 GLU HA 1 10 GLU QG 2.720 . 3.640 2.605 2.314 3.356 . 0 0 "[ . 1 . 2]" 1
101 1 10 GLU QB 1 11 LEU H 2.865 . 3.930 2.698 2.258 3.645 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU H 1 11 LEU QD 3.125 . 4.450 3.442 2.456 3.758 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU HA 1 11 LEU QD 2.670 . 3.540 2.107 1.983 2.668 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU QD 1 14 ARG H 3.290 . 4.780 3.873 2.470 4.783 0.003 3 0 "[ . 1 . 2]" 1
105 1 14 ARG H 1 14 ARG QG 3.045 . 4.290 2.497 2.184 3.631 . 0 0 "[ . 1 . 2]" 1
106 1 14 ARG HB2 1 14 ARG QD 2.735 . 3.670 2.893 2.358 3.502 . 0 0 "[ . 1 . 2]" 1
107 1 25 SER H 1 25 SER QB 2.490 . 3.180 2.508 2.238 3.174 . 0 0 "[ . 1 . 2]" 1
108 1 26 ASP H 1 26 ASP QB 2.655 . 3.510 2.587 2.293 3.017 . 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 6
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 17.000
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0274
_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 ASN 0.208 0.055 20 0 "[ . 1 . 2]"
1 5 GLN 0.208 0.055 20 0 "[ . 1 . 2]"
1 6 ARG 0.348 0.071 18 0 "[ . 1 . 2]"
1 7 LYS 0.293 0.082 19 0 "[ . 1 . 2]"
1 10 GLU 0.348 0.071 18 0 "[ . 1 . 2]"
1 11 LEU 0.293 0.082 19 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 1 ASN O 1 5 GLN H 0.000 . 2.000 1.957 1.813 2.055 0.055 20 0 "[ . 1 . 2]" 2
2 1 1 ASN O 1 5 GLN N 0.000 . 3.000 2.911 2.788 3.023 0.023 20 0 "[ . 1 . 2]" 2
3 1 6 ARG O 1 10 GLU H 0.000 . 2.000 1.992 1.841 2.071 0.071 18 0 "[ . 1 . 2]" 2
4 1 6 ARG O 1 10 GLU N 0.000 . 3.000 2.856 2.745 3.014 0.014 18 0 "[ . 1 . 2]" 2
5 1 7 LYS O 1 11 LEU H 0.000 . 2.000 1.925 1.740 2.082 0.082 19 0 "[ . 1 . 2]" 2
6 1 7 LYS O 1 11 LEU N 0.000 . 3.000 2.803 2.664 2.957 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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