NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606956 |
2ndn   |
26066 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ndn
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 110
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 14.990
_Distance_constraint_stats_list.Viol_max 0.378
_Distance_constraint_stats_list.Viol_rms 0.0092
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0326
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 0.378 0.378 8 0 "[ . 1 . 2]"
1 3 CYS 0.010 0.005 5 0 "[ . 1 . 2]"
1 4 PHE 0.003 0.003 13 0 "[ . 1 . 2]"
1 5 LYS 0.308 0.199 15 0 "[ . 1 . 2]"
1 6 ASP 0.041 0.041 14 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.045 0.041 14 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 0.006 0.003 15 0 "[ . 1 . 2]"
1 11 THR 0.001 0.001 6 0 "[ . 1 . 2]"
1 12 LEU 0.003 0.003 13 0 "[ . 1 . 2]"
1 13 CYS 0.009 0.005 5 0 "[ . 1 . 2]"
1 14 ALA 0.004 0.002 14 0 "[ . 1 . 2]"
1 15 PRO 0.002 0.002 14 0 "[ . 1 . 2]"
1 16 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 12 LEU H 1 12 LEU HG . . 5.060 4.170 3.169 4.955 . 0 0 "[ . 1 . 2]" 1
2 1 5 LYS QG 1 6 ASP H . . 4.930 3.846 2.356 4.441 . 0 0 "[ . 1 . 2]" 1
3 1 12 LEU H 1 12 LEU MD1 . . 5.500 4.044 2.880 4.532 . 0 0 "[ . 1 . 2]" 1
4 1 12 LEU H 1 12 LEU MD2 . . 5.500 4.196 2.859 4.671 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE HB . . 3.230 2.620 2.520 3.608 0.378 8 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 2 ILE HG13 . . 3.960 2.808 1.986 3.937 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 2 ILE MD . . 5.500 3.544 3.174 3.839 . 0 0 "[ . 1 . 2]" 1
8 1 3 CYS H 1 3 CYS HB2 . . 3.980 2.423 2.267 2.667 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS H 1 3 CYS HB3 . . 3.980 3.592 3.517 3.725 . 0 0 "[ . 1 . 2]" 1
10 1 11 THR MG 1 12 LEU H . . 4.200 3.075 2.319 4.006 . 0 0 "[ . 1 . 2]" 1
11 1 11 THR HB 1 12 LEU H . . 5.500 4.177 4.008 4.330 . 0 0 "[ . 1 . 2]" 1
12 1 11 THR H 1 11 THR HB . . 3.020 2.735 2.534 2.958 . 0 0 "[ . 1 . 2]" 1
13 1 11 THR H 1 11 THR MG . . 4.150 3.351 1.923 3.851 . 0 0 "[ . 1 . 2]" 1
14 1 11 THR HA 1 12 LEU H . . 2.870 2.154 2.142 2.190 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS HA 1 3 CYS HB2 . . 2.990 2.983 2.975 2.991 0.001 15 0 "[ . 1 . 2]" 1
16 1 3 CYS HA 1 3 CYS HB3 . . 2.990 2.658 2.639 2.675 . 0 0 "[ . 1 . 2]" 1
17 1 2 ILE HA 1 3 CYS H . . 2.520 2.165 2.139 2.259 . 0 0 "[ . 1 . 2]" 1
18 1 1 GLY H1 1 16 ASP HA . . 3.750 3.317 2.858 3.474 . 0 0 "[ . 1 . 2]" 1
19 1 14 ALA HA 1 15 PRO HD2 . . 3.620 2.505 2.501 2.514 . 0 0 "[ . 1 . 2]" 1
20 1 14 ALA HA 1 15 PRO HD3 . . 3.620 2.345 2.343 2.349 . 0 0 "[ . 1 . 2]" 1
21 1 12 LEU HA 1 13 CYS H . . 3.020 2.194 2.138 2.255 . 0 0 "[ . 1 . 2]" 1
22 1 13 CYS H 1 13 CYS HB2 . . 3.360 2.580 2.378 2.697 . 0 0 "[ . 1 . 2]" 1
23 1 13 CYS HA 1 14 ALA H . . 2.600 2.277 2.204 2.423 . 0 0 "[ . 1 . 2]" 1
24 1 14 ALA H 1 14 ALA MB . . 3.140 2.225 2.126 2.301 . 0 0 "[ . 1 . 2]" 1
25 1 6 ASP H 1 6 ASP HB2 . . 4.010 2.381 2.149 3.593 . 0 0 "[ . 1 . 2]" 1
26 1 6 ASP H 1 6 ASP HB3 . . 4.010 3.396 2.776 3.616 . 0 0 "[ . 1 . 2]" 1
27 1 5 LYS HA 1 6 ASP H . . 2.650 2.177 2.141 2.308 . 0 0 "[ . 1 . 2]" 1
28 1 5 LYS H 1 5 LYS QE . . 5.500 4.466 3.470 5.383 . 0 0 "[ . 1 . 2]" 1
29 1 5 LYS H 1 5 LYS QD . . 4.810 4.150 1.900 4.796 . 0 0 "[ . 1 . 2]" 1
30 1 4 PHE HA 1 5 LYS H . . 3.000 2.253 2.143 2.445 . 0 0 "[ . 1 . 2]" 1
31 1 4 PHE H 1 13 CYS HA . . 4.000 3.092 2.655 3.512 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS HA 1 4 PHE H . . 2.720 2.206 2.139 2.373 . 0 0 "[ . 1 . 2]" 1
33 1 10 SER HA 1 11 THR H . . 2.690 2.253 2.143 2.380 . 0 0 "[ . 1 . 2]" 1
34 1 13 CYS HB3 1 14 ALA H . . 3.460 2.819 2.411 3.068 . 0 0 "[ . 1 . 2]" 1
35 1 13 CYS HB2 1 14 ALA H . . 4.220 4.058 3.779 4.221 0.001 13 0 "[ . 1 . 2]" 1
36 1 3 CYS HA 1 14 ALA H . . 4.010 3.105 2.651 3.430 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS HA 1 13 CYS HA . . 2.460 2.305 2.028 2.465 0.005 5 0 "[ . 1 . 2]" 1
38 1 2 ILE HB 1 3 CYS H . . 4.770 4.107 2.761 4.352 . 0 0 "[ . 1 . 2]" 1
39 1 14 ALA MB 1 16 ASP H . . 3.410 2.255 2.134 2.428 . 0 0 "[ . 1 . 2]" 1
40 1 2 ILE H 1 14 ALA MB . . 4.040 2.909 2.608 3.370 . 0 0 "[ . 1 . 2]" 1
41 1 2 ILE H 1 2 ILE HG12 . . 3.960 3.030 2.015 3.876 . 0 0 "[ . 1 . 2]" 1
42 1 4 PHE QB 1 5 LYS H . . 3.710 2.819 2.363 3.239 . 0 0 "[ . 1 . 2]" 1
43 1 8 PHE HA 1 8 PHE QE . . 5.440 4.520 4.185 4.680 . 0 0 "[ . 1 . 2]" 1
44 1 8 PHE HA 1 8 PHE QD . . 3.960 2.659 2.018 3.093 . 0 0 "[ . 1 . 2]" 1
45 1 14 ALA MB 1 15 PRO HD3 . . 3.150 3.129 3.079 3.152 0.002 14 0 "[ . 1 . 2]" 1
46 1 14 ALA MB 1 15 PRO HD2 . . 3.150 2.016 1.949 2.083 . 0 0 "[ . 1 . 2]" 1
47 1 6 ASP HB2 1 7 PRO HD3 . . 5.500 4.544 3.430 4.766 . 0 0 "[ . 1 . 2]" 1
48 1 6 ASP HB3 1 7 PRO HD3 . . 5.500 3.586 3.322 4.739 . 0 0 "[ . 1 . 2]" 1
49 1 6 ASP HB3 1 7 PRO HD2 . . 5.500 2.214 1.968 3.738 . 0 0 "[ . 1 . 2]" 1
50 1 6 ASP HB2 1 7 PRO HD2 . . 5.500 3.427 1.975 3.906 . 0 0 "[ . 1 . 2]" 1
51 1 4 PHE QD 1 5 LYS H . . 5.500 3.970 3.304 4.383 . 0 0 "[ . 1 . 2]" 1
52 1 4 PHE H 1 4 PHE QD . . 4.210 2.973 2.232 3.453 . 0 0 "[ . 1 . 2]" 1
53 1 2 ILE H 1 14 ALA H . . 4.480 3.926 3.365 4.426 . 0 0 "[ . 1 . 2]" 1
54 1 1 GLY H1 1 2 ILE H . . 3.450 2.383 2.025 2.553 . 0 0 "[ . 1 . 2]" 1
55 1 1 GLY H1 1 16 ASP H . . 3.990 2.677 2.517 2.844 . 0 0 "[ . 1 . 2]" 1
56 1 8 PHE H 1 9 GLY H . . 2.880 2.428 2.268 2.456 . 0 0 "[ . 1 . 2]" 1
57 1 8 PHE H 1 10 SER H . . 5.030 3.969 3.478 4.353 . 0 0 "[ . 1 . 2]" 1
58 1 9 GLY H 1 10 SER H . . 3.390 2.479 2.028 2.848 . 0 0 "[ . 1 . 2]" 1
59 1 2 ILE MG 1 3 CYS H . . 4.950 2.687 2.262 3.682 . 0 0 "[ . 1 . 2]" 1
60 1 3 CYS HA 1 4 PHE QD . . 5.500 3.690 3.238 4.150 . 0 0 "[ . 1 . 2]" 1
61 1 6 ASP HB3 1 8 PHE QD . . 4.830 2.917 2.246 4.250 . 0 0 "[ . 1 . 2]" 1
62 1 6 ASP HB2 1 8 PHE QD . . 4.830 3.924 2.479 4.871 0.041 14 0 "[ . 1 . 2]" 1
63 1 4 PHE QD 1 14 ALA MB . . 4.930 4.001 3.038 4.546 . 0 0 "[ . 1 . 2]" 1
64 1 4 PHE QD 1 12 LEU HB2 . . 5.500 4.248 2.905 5.430 . 0 0 "[ . 1 . 2]" 1
65 1 4 PHE QD 1 12 LEU HB3 . . 5.500 3.865 2.205 5.283 . 0 0 "[ . 1 . 2]" 1
66 1 11 THR HA 1 11 THR MG . . 3.220 2.455 2.077 3.207 . 0 0 "[ . 1 . 2]" 1
67 1 2 ILE HA 1 2 ILE HG12 . . 4.140 2.837 2.545 3.768 . 0 0 "[ . 1 . 2]" 1
68 1 2 ILE HA 1 2 ILE HG13 . . 4.140 3.314 2.858 3.774 . 0 0 "[ . 1 . 2]" 1
69 1 2 ILE MD 1 2 ILE MG . . 2.480 2.054 1.945 2.163 . 0 0 "[ . 1 . 2]" 1
70 1 5 LYS HA 1 5 LYS QE . . 5.320 4.494 3.607 5.041 . 0 0 "[ . 1 . 2]" 1
71 1 5 LYS HB2 1 5 LYS QD . . 3.130 2.580 1.963 3.329 0.199 15 0 "[ . 1 . 2]" 1
72 1 5 LYS HB3 1 5 LYS QD . . 3.130 2.544 1.971 3.156 0.026 4 0 "[ . 1 . 2]" 1
73 1 5 LYS QD 1 5 LYS QG . . 2.400 2.027 2.017 2.034 . 0 0 "[ . 1 . 2]" 1
74 1 10 SER H 1 10 SER QB . . 2.880 2.471 2.096 2.847 . 0 0 "[ . 1 . 2]" 1
75 1 10 SER QB 1 11 THR H . . 3.240 2.938 2.494 3.241 0.001 6 0 "[ . 1 . 2]" 1
76 1 7 PRO QG 1 8 PHE H . . 5.460 2.741 2.435 2.941 . 0 0 "[ . 1 . 2]" 1
77 1 1 GLY H1 1 14 ALA MB . . 5.010 3.346 2.968 3.947 . 0 0 "[ . 1 . 2]" 1
78 1 2 ILE HB 1 14 ALA H . . 5.500 3.992 3.226 4.871 . 0 0 "[ . 1 . 2]" 1
79 1 4 PHE QE 1 14 ALA MB . . 5.490 2.959 1.991 4.226 . 0 0 "[ . 1 . 2]" 1
80 1 6 ASP HA 1 7 PRO QG . . 5.500 4.056 3.863 4.074 . 0 0 "[ . 1 . 2]" 1
81 1 1 GLY H1 1 1 GLY QA . . 2.550 2.301 2.212 2.330 . 0 0 "[ . 1 . 2]" 1
82 1 2 ILE H 1 2 ILE QG . . 3.470 2.247 1.961 2.514 . 0 0 "[ . 1 . 2]" 1
83 1 2 ILE HA 1 2 ILE QG . . 3.510 2.678 2.421 3.302 . 0 0 "[ . 1 . 2]" 1
84 1 2 ILE QG 1 2 ILE MG . . 2.390 2.267 2.197 2.344 . 0 0 "[ . 1 . 2]" 1
85 1 3 CYS H 1 3 CYS QB . . 3.130 2.386 2.242 2.611 . 0 0 "[ . 1 . 2]" 1
86 1 3 CYS QB 1 4 PHE H . . 3.750 3.069 2.533 3.382 . 0 0 "[ . 1 . 2]" 1
87 1 4 PHE H 1 12 LEU QB . . 5.170 4.084 3.219 4.821 . 0 0 "[ . 1 . 2]" 1
88 1 4 PHE QE 1 12 LEU QB . . 4.510 3.457 2.372 4.513 0.003 13 0 "[ . 1 . 2]" 1
89 1 4 PHE QE 1 12 LEU QD . . 4.820 3.250 2.282 4.818 . 0 0 "[ . 1 . 2]" 1
90 1 5 LYS H 1 5 LYS QB . . 3.010 2.532 2.193 3.016 0.006 14 0 "[ . 1 . 2]" 1
91 1 5 LYS QB 1 5 LYS QD . . 2.550 2.148 1.945 2.334 . 0 0 "[ . 1 . 2]" 1
92 1 5 LYS QB 1 5 LYS QE . . 2.850 2.366 1.976 2.885 0.035 15 0 "[ . 1 . 2]" 1
93 1 5 LYS QB 1 6 ASP H . . 4.230 3.416 2.863 3.960 . 0 0 "[ . 1 . 2]" 1
94 1 6 ASP H 1 6 ASP QB . . 3.140 2.268 2.127 2.827 . 0 0 "[ . 1 . 2]" 1
95 1 6 ASP HA 1 7 PRO QD . . 3.230 2.141 1.963 2.157 . 0 0 "[ . 1 . 2]" 1
96 1 6 ASP QB 1 7 PRO QD . . 3.890 2.061 1.931 3.268 . 0 0 "[ . 1 . 2]" 1
97 1 6 ASP QB 1 8 PHE H . . 4.560 2.286 2.153 2.883 . 0 0 "[ . 1 . 2]" 1
98 1 6 ASP QB 1 8 PHE QD . . 4.140 2.734 2.152 3.999 . 0 0 "[ . 1 . 2]" 1
99 1 7 PRO QD 1 8 PHE H . . 4.100 2.677 2.607 2.754 . 0 0 "[ . 1 . 2]" 1
100 1 7 PRO QD 1 8 PHE QD . . 5.060 3.157 2.497 4.057 . 0 0 "[ . 1 . 2]" 1
101 1 8 PHE H 1 8 PHE QB . . 3.110 2.376 2.180 2.562 . 0 0 "[ . 1 . 2]" 1
102 1 8 PHE QB 1 10 SER H . . 3.110 2.803 2.633 3.113 0.003 15 0 "[ . 1 . 2]" 1
103 1 12 LEU H 1 12 LEU QB . . 3.490 2.507 2.328 2.668 . 0 0 "[ . 1 . 2]" 1
104 1 12 LEU QB 1 12 LEU HG . . 2.540 2.378 2.167 2.480 . 0 0 "[ . 1 . 2]" 1
105 1 12 LEU QB 1 13 CYS H . . 4.080 3.263 2.842 3.873 . 0 0 "[ . 1 . 2]" 1
106 1 14 ALA HA 1 15 PRO QD . . 3.040 2.152 2.150 2.158 . 0 0 "[ . 1 . 2]" 1
107 1 14 ALA MB 1 15 PRO QD . . 2.670 1.993 1.931 2.055 . 0 0 "[ . 1 . 2]" 1
108 1 15 PRO QB 1 16 ASP H . . 3.640 3.429 3.219 3.531 . 0 0 "[ . 1 . 2]" 1
109 1 15 PRO QD 1 16 ASP H . . 3.660 2.667 2.602 2.729 . 0 0 "[ . 1 . 2]" 1
110 1 16 ASP H 1 16 ASP QB . . 3.190 2.410 2.179 2.921 . 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 62
_Distance_constraint_stats_list.Viol_total 553.208
_Distance_constraint_stats_list.Viol_max 1.383
_Distance_constraint_stats_list.Viol_rms 0.3451
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2305
_Distance_constraint_stats_list.Viol_average_violations_only 0.4461
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 0.086 0.086 5 0 "[ . 1 . 2]"
1 4 PHE 27.574 1.383 11 11 "[* -*** 1+* ** * *]"
1 12 LEU 27.574 1.383 11 11 "[* -*** 1+* ** * *]"
1 14 ALA 0.086 0.086 5 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 4 PHE O 1 12 LEU H . . 2.300 2.920 2.347 3.683 1.383 11 11 "[* -*** 1+* ** * *]" 2
2 1 4 PHE O 1 12 LEU N . . 3.300 3.781 3.285 4.493 1.193 11 7 "[ *-* 1+* * *]" 2
3 1 4 PHE H 1 12 LEU O . . 2.300 2.347 1.799 2.949 0.649 5 1 "[ + 1 . 2]" 2
4 1 4 PHE N 1 12 LEU O . . 3.300 3.264 2.750 3.735 0.435 5 0 "[ . 1 . 2]" 2
5 1 2 ILE O 1 14 ALA H . . 2.300 1.943 1.803 2.386 0.086 5 0 "[ . 1 . 2]" 2
6 1 2 ILE O 1 14 ALA N . . 3.300 2.852 2.748 3.269 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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