NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
393309 |
1qk6   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qk6
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 101
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 230.441
_Distance_constraint_stats_list.Viol_max 2.179
_Distance_constraint_stats_list.Viol_rms 0.2063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0228
_Distance_constraint_stats_list.Viol_average_violations_only 0.4518
_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 ALA 0.000 0.000 . 0 "[ . 1]"
1 2 CYS 0.000 0.000 . 0 "[ . 1]"
1 3 LYS 0.002 0.002 10 0 "[ . 1]"
1 4 GLY 0.002 0.002 10 0 "[ . 1]"
1 5 VAL 0.279 0.279 9 0 "[ . 1]"
1 6 PHE 0.000 0.000 . 0 "[ . 1]"
1 7 ASP 0.000 0.000 . 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 CYS 0.000 0.000 . 0 "[ . 1]"
1 10 THR 0.971 0.666 2 1 "[ + . 1]"
1 11 PRO 0.000 0.000 . 0 "[ . 1]"
1 12 GLY 0.000 0.000 . 0 "[ . 1]"
1 13 LYS 0.971 0.666 2 1 "[ + . 1]"
1 14 ASN 0.000 0.000 . 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 CYS 0.000 0.000 . 0 "[ . 1]"
1 17 CYS 0.450 0.171 2 0 "[ . 1]"
1 18 PRO 0.450 0.171 2 0 "[ . 1]"
1 19 ASN 0.000 0.000 . 0 "[ . 1]"
1 20 ARG 0.000 0.000 . 0 "[ . 1]"
1 21 VAL 0.204 0.035 4 0 "[ . 1]"
1 22 CYS 0.215 0.035 4 0 "[ . 1]"
1 23 SER 20.686 2.179 4 10 [**-+******]
1 24 ASP 0.000 0.000 . 0 "[ . 1]"
1 25 LYS 0.000 0.000 . 0 "[ . 1]"
1 26 HIS 0.000 0.000 . 0 "[ . 1]"
1 27 LYS 0.000 0.000 . 0 "[ . 1]"
1 28 TRP 20.686 2.179 4 10 [**-+******]
1 29 CYS 0.012 0.012 7 0 "[ . 1]"
1 30 LYS 0.000 0.000 . 0 "[ . 1]"
1 31 TRP 0.441 0.051 9 0 "[ . 1]"
1 32 LYS 0.153 0.044 3 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 6 PHE HA 1 28 TRP QB 2.700 . 3.700 2.779 2.508 3.002 . 0 0 "[ . 1]" 1
2 1 6 PHE H 1 28 TRP HD1 5.000 . 5.000 3.913 3.619 4.421 . 0 0 "[ . 1]" 1
3 1 8 ALA HA 1 28 TRP HA 2.700 . 2.700 1.896 1.857 1.931 . 0 0 "[ . 1]" 1
4 1 8 ALA H 1 28 TRP HA 5.000 . 5.000 4.115 4.031 4.314 . 0 0 "[ . 1]" 1
5 1 9 CYS QB 1 22 CYS QB 5.000 . 7.000 3.675 3.217 3.938 . 0 0 "[ . 1]" 1
6 1 9 CYS H 1 27 LYS HA 5.000 . 5.000 4.460 4.150 4.912 . 0 0 "[ . 1]" 1
7 1 9 CYS H 1 27 LYS QB 5.000 . 6.000 4.625 4.063 5.249 . 0 0 "[ . 1]" 1
8 1 9 CYS H 1 28 TRP HA 3.300 . 3.300 2.210 1.980 2.611 . 0 0 "[ . 1]" 1
9 1 11 PRO HA 1 22 CYS QB 2.700 . 3.700 2.557 2.080 3.062 . 0 0 "[ . 1]" 1
10 1 16 CYS QB 1 29 CYS QB 5.000 . 7.000 3.324 2.357 4.098 . 0 0 "[ . 1]" 1
11 1 2 CYS QB 1 17 CYS HA 3.300 . 4.300 2.415 2.102 2.684 . 0 0 "[ . 1]" 1
12 1 5 VAL QG 1 20 ARG QH 5.000 . 9.800 2.305 1.994 2.644 . 0 0 "[ . 1]" 1
13 1 22 CYS HA 1 29 CYS HA 2.700 . 2.700 2.350 1.962 2.712 0.012 7 0 "[ . 1]" 1
14 1 23 SER HA 1 28 TRP HA 5.000 . 5.000 7.066 6.882 7.179 2.179 4 10 [**-+******] 1
15 1 23 SER H 1 28 TRP HD1 5.000 . 5.000 4.197 3.825 4.533 . 0 0 "[ . 1]" 1
16 1 23 SER H 1 28 TRP H 3.300 . 3.300 3.235 2.886 3.309 0.009 5 0 "[ . 1]" 1
17 1 6 PHE QD 1 28 TRP HD1 5.000 . 7.400 4.249 3.698 4.843 . 0 0 "[ . 1]" 1
18 1 6 PHE QD 1 28 TRP HE1 5.000 . 7.400 3.786 2.980 4.575 . 0 0 "[ . 1]" 1
19 1 6 PHE QE 1 28 TRP HE1 3.300 . 5.700 3.431 2.780 4.102 . 0 0 "[ . 1]" 1
20 1 7 ASP H 1 29 CYS H 3.300 . 3.300 2.493 2.195 2.810 . 0 0 "[ . 1]" 1
21 1 5 VAL QG 1 30 LYS H 5.000 . 7.400 4.485 3.865 5.344 . 0 0 "[ . 1]" 1
22 1 22 CYS HA 1 30 LYS H 5.000 . 5.000 3.827 3.361 4.227 . 0 0 "[ . 1]" 1
23 1 21 VAL QG 1 31 TRP QB 5.000 . 8.400 5.055 4.753 5.329 . 0 0 "[ . 1]" 1
24 1 5 VAL HB 1 31 TRP HE1 5.000 . 5.000 4.341 3.824 4.728 . 0 0 "[ . 1]" 1
25 1 20 ARG QH 1 31 TRP HE1 5.000 . 7.400 4.843 3.713 5.426 . 0 0 "[ . 1]" 1
26 1 20 ARG HA 1 31 TRP HE3 5.000 . 5.000 3.683 3.157 4.274 . 0 0 "[ . 1]" 1
27 1 5 VAL QG 1 31 TRP H 5.000 . 7.400 3.313 2.762 4.647 . 0 0 "[ . 1]" 1
28 1 20 ARG QG 1 31 TRP H 5.000 . 6.000 3.823 3.098 4.439 . 0 0 "[ . 1]" 1
29 1 3 LYS QB 1 5 VAL H 5.000 . 6.000 5.426 5.317 5.508 . 0 0 "[ . 1]" 1
30 1 3 LYS QB 1 7 ASP QB 2.700 . 4.700 2.445 2.167 2.688 . 0 0 "[ . 1]" 1
31 1 10 THR HB 1 13 LYS QB 2.700 . 3.700 2.108 1.811 2.786 . 0 0 "[ . 1]" 1
32 1 10 THR H 1 13 LYS QB 5.000 . 6.000 3.708 3.554 3.834 . 0 0 "[ . 1]" 1
33 1 10 THR H 1 13 LYS QD 5.000 5.000 8.200 5.019 4.334 5.365 0.666 2 1 "[ + . 1]" 1
34 1 12 GLY H 1 14 ASN H 5.000 . 5.000 3.918 3.033 4.518 . 0 0 "[ . 1]" 1
35 1 16 CYS QB 1 20 ARG QB 2.700 . 4.700 3.137 2.356 3.783 . 0 0 "[ . 1]" 1
36 1 25 LYS H 1 27 LYS H 5.000 . 5.000 3.842 3.645 3.968 . 0 0 "[ . 1]" 1
37 1 28 TRP HD1 1 30 LYS HA 5.000 . 5.000 3.759 3.409 4.248 . 0 0 "[ . 1]" 1
38 1 28 TRP HE1 1 30 LYS QB 5.000 . 6.000 2.391 1.991 2.847 . 0 0 "[ . 1]" 1
39 1 28 TRP HE1 1 30 LYS QG 5.000 . 6.000 3.618 2.837 4.343 . 0 0 "[ . 1]" 1
40 1 1 ALA HA 1 2 CYS H 5.000 . 5.000 2.757 2.185 3.599 . 0 0 "[ . 1]" 1
41 1 3 LYS HA 1 4 GLY H 2.700 . 2.700 2.582 2.390 2.702 0.002 10 0 "[ . 1]" 1
42 1 3 LYS QB 1 4 GLY H 2.700 . 3.700 2.120 1.967 2.524 . 0 0 "[ . 1]" 1
43 1 3 LYS QG 1 4 GLY H 3.300 . 4.300 3.747 3.556 3.955 . 0 0 "[ . 1]" 1
44 1 4 GLY H 1 5 VAL H 5.000 . 5.000 4.387 4.189 4.658 . 0 0 "[ . 1]" 1
45 1 5 VAL QG 1 6 PHE QD 5.000 . 9.800 2.737 2.020 3.796 . 0 0 "[ . 1]" 1
46 1 5 VAL QG 1 6 PHE QE 5.000 . 9.800 4.072 2.828 5.633 . 0 0 "[ . 1]" 1
47 1 5 VAL HA 1 6 PHE H 5.000 . 5.000 2.387 2.301 2.423 . 0 0 "[ . 1]" 1
48 1 5 VAL QG 1 6 PHE H 3.300 . 5.700 2.157 1.943 3.343 . 0 0 "[ . 1]" 1
49 1 5 VAL H 1 6 PHE H 5.000 . 5.000 4.634 4.615 4.679 . 0 0 "[ . 1]" 1
50 1 6 PHE H 1 7 ASP H 3.300 . 3.300 2.772 2.694 2.896 . 0 0 "[ . 1]" 1
51 1 7 ASP HA 1 8 ALA H 2.700 . 2.700 2.196 2.185 2.221 . 0 0 "[ . 1]" 1
52 1 8 ALA MB 1 9 CYS H 3.300 . 4.300 3.243 3.097 3.367 . 0 0 "[ . 1]" 1
53 1 10 THR HA 1 11 PRO QD 2.700 . 3.700 1.859 1.848 1.883 . 0 0 "[ . 1]" 1
54 1 9 CYS QB 1 10 THR H 2.700 . 3.700 2.549 2.313 2.862 . 0 0 "[ . 1]" 1
55 1 11 PRO HA 1 12 GLY H 2.700 . 2.700 2.213 2.199 2.223 . 0 0 "[ . 1]" 1
56 1 11 PRO QB 1 12 GLY H 3.300 . 4.300 3.282 3.229 3.357 . 0 0 "[ . 1]" 1
57 1 12 GLY H 1 13 LYS H 2.700 . 2.700 2.526 2.417 2.633 . 0 0 "[ . 1]" 1
58 1 12 GLY QA 1 13 LYS H 3.300 . 4.300 2.924 2.899 2.958 . 0 0 "[ . 1]" 1
59 1 13 LYS H 1 14 ASN H 2.700 . 2.700 2.367 2.207 2.666 . 0 0 "[ . 1]" 1
60 1 15 GLU HA 1 16 CYS H 5.000 . 5.000 2.834 2.183 3.552 . 0 0 "[ . 1]" 1
61 1 15 GLU QG 1 16 CYS H 5.000 . 6.000 4.243 2.751 4.735 . 0 0 "[ . 1]" 1
62 1 16 CYS H 1 17 CYS H 5.000 . 5.000 4.193 2.599 4.707 . 0 0 "[ . 1]" 1
63 1 17 CYS QB 1 18 PRO QD 2.700 . 4.700 1.878 1.629 2.163 0.171 2 0 "[ . 1]" 1
64 1 19 ASN H 1 20 ARG H 2.700 . 2.700 2.419 2.291 2.556 . 0 0 "[ . 1]" 1
65 1 21 VAL H 1 22 CYS H 5.000 . 5.000 4.450 4.417 4.514 . 0 0 "[ . 1]" 1
66 1 21 VAL HB 1 22 CYS H 2.700 . 2.700 2.720 2.703 2.735 0.035 4 0 "[ . 1]" 1
67 1 21 VAL QG 1 22 CYS H 5.000 . 7.400 3.303 3.236 3.330 . 0 0 "[ . 1]" 1
68 1 22 CYS H 1 23 SER H 5.000 . 5.000 4.436 4.271 4.607 . 0 0 "[ . 1]" 1
69 1 23 SER HA 1 24 ASP H 2.700 . 2.700 2.271 2.232 2.304 . 0 0 "[ . 1]" 1
70 1 23 SER QB 1 24 ASP H 5.000 . 6.000 3.448 3.033 3.603 . 0 0 "[ . 1]" 1
71 1 23 SER H 1 24 ASP H 5.000 . 5.000 4.643 4.596 4.674 . 0 0 "[ . 1]" 1
72 1 24 ASP H 1 25 LYS H 2.700 . 2.700 2.370 2.260 2.416 . 0 0 "[ . 1]" 1
73 1 24 ASP HA 1 25 LYS H 5.000 . 5.000 3.575 3.546 3.588 . 0 0 "[ . 1]" 1
74 1 25 LYS H 1 26 HIS H 2.700 . 2.700 2.558 2.425 2.603 . 0 0 "[ . 1]" 1
75 1 25 LYS HA 1 26 HIS H 5.000 . 5.000 3.536 3.529 3.551 . 0 0 "[ . 1]" 1
76 1 26 HIS H 1 27 LYS HA 5.000 . 5.000 4.583 4.570 4.614 . 0 0 "[ . 1]" 1
77 1 26 HIS HA 1 27 LYS H 5.000 . 5.000 3.511 3.500 3.526 . 0 0 "[ . 1]" 1
78 1 26 HIS H 1 27 LYS H 2.700 . 2.700 2.280 2.269 2.302 . 0 0 "[ . 1]" 1
79 1 27 LYS H 1 28 TRP H 5.000 . 5.000 2.665 2.612 2.701 . 0 0 "[ . 1]" 1
80 1 28 TRP HD1 1 29 CYS H 5.000 . 5.000 3.285 3.051 3.492 . 0 0 "[ . 1]" 1
81 1 29 CYS H 1 30 LYS H 5.000 . 5.000 4.601 4.488 4.658 . 0 0 "[ . 1]" 1
82 1 30 LYS HA 1 31 TRP HD1 5.000 . 5.000 4.710 4.610 4.830 . 0 0 "[ . 1]" 1
83 1 31 TRP HA 1 32 LYS H 2.700 . 2.700 2.390 2.249 2.708 0.008 9 0 "[ . 1]" 1
84 1 31 TRP HE3 1 32 LYS H 2.700 . 2.700 2.646 2.440 2.744 0.044 3 0 "[ . 1]" 1
85 1 5 VAL H 1 5 VAL HB 3.300 . 3.300 2.912 2.775 3.579 0.279 9 0 "[ . 1]" 1
86 1 6 PHE HA 1 6 PHE QD 2.700 . 5.100 2.824 2.636 2.934 . 0 0 "[ . 1]" 1
87 1 6 PHE QB 1 6 PHE QD 2.700 . 6.100 2.154 2.150 2.168 . 0 0 "[ . 1]" 1
88 1 6 PHE H 1 6 PHE QD 5.000 . 7.400 3.299 2.679 3.929 . 0 0 "[ . 1]" 1
89 1 9 CYS H 1 9 CYS QB 3.000 . 4.000 3.162 3.075 3.215 . 0 0 "[ . 1]" 1
90 1 10 THR H 1 10 THR HB 2.700 . 2.700 2.555 2.514 2.617 . 0 0 "[ . 1]" 1
91 1 13 LYS HA 1 13 LYS QD 2.700 . 3.700 3.137 2.415 3.369 . 0 0 "[ . 1]" 1
92 1 13 LYS H 1 13 LYS QB 2.700 . 3.700 2.373 2.224 2.523 . 0 0 "[ . 1]" 1
93 1 13 LYS H 1 13 LYS QD 5.000 . 6.000 4.208 2.197 4.873 . 0 0 "[ . 1]" 1
94 1 21 VAL HA 1 21 VAL HB 2.700 . 2.700 2.546 2.479 2.613 . 0 0 "[ . 1]" 1
95 1 22 CYS H 1 22 CYS QB 2.700 . 3.700 2.305 2.215 2.360 . 0 0 "[ . 1]" 1
96 1 25 LYS H 1 25 LYS QB 2.700 . 3.700 2.307 2.196 2.601 . 0 0 "[ . 1]" 1
97 1 28 TRP HA 1 28 TRP HD1 5.000 . 5.000 4.026 3.936 4.081 . 0 0 "[ . 1]" 1
98 1 28 TRP H 1 28 TRP HE1 5.000 . 5.000 4.781 4.633 4.940 . 0 0 "[ . 1]" 1
99 1 31 TRP HA 1 31 TRP HD1 5.000 . 5.000 4.300 4.250 4.369 . 0 0 "[ . 1]" 1
100 1 31 TRP H 1 31 TRP HE3 5.000 . 5.000 5.028 4.996 5.051 0.051 9 0 "[ . 1]" 1
101 1 32 LYS H 1 32 LYS QG 3.300 . 4.300 2.303 1.890 3.998 . 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 8
_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 2 CYS 0.000 0.000 . 0 "[ . 1]"
1 9 CYS 0.000 0.000 . 0 "[ . 1]"
1 16 CYS 0.000 0.000 . 0 "[ . 1]"
1 17 CYS 0.000 0.000 . 0 "[ . 1]"
1 22 CYS 0.000 0.000 . 0 "[ . 1]"
1 29 CYS 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 2 CYS SG 1 17 CYS SG 2.020 . 2.040 2.019 2.017 2.021 . 0 0 "[ . 1]" 2
2 1 9 CYS SG 1 22 CYS SG 2.020 . 2.040 2.020 2.018 2.022 . 0 0 "[ . 1]" 2
3 1 16 CYS SG 1 29 CYS SG 2.020 . 2.040 2.019 2.018 2.021 . 0 0 "[ . 1]" 2
4 1 9 CYS SG 1 22 CYS CB 2.990 2.490 3.490 3.026 3.022 3.029 . 0 0 "[ . 1]" 2
5 1 16 CYS SG 1 29 CYS CB 2.990 2.490 3.490 3.021 3.014 3.029 . 0 0 "[ . 1]" 2
6 1 2 CYS CB 1 17 CYS SG 2.990 2.490 3.490 3.023 3.017 3.028 . 0 0 "[ . 1]" 2
7 1 9 CYS CB 1 22 CYS SG 2.990 2.490 3.490 3.028 3.022 3.035 . 0 0 "[ . 1]" 2
8 1 16 CYS CB 1 29 CYS SG 2.990 2.490 3.490 3.021 3.018 3.024 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, July 1, 2024 7:37:26 AM GMT (wattos1)