Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
558504 | 2m2y RC | 18938 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m2y
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 94
_Distance_constraint_stats_list.Viol_count 269
_Distance_constraint_stats_list.Viol_total 321.923
_Distance_constraint_stats_list.Viol_max 0.194
_Distance_constraint_stats_list.Viol_rms 0.0263
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0598
_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 ARG 0.112 0.044 17 0 "[ . 1 . 2]"
1 2 CYS 1.099 0.109 5 0 "[ . 1 . 2]"
1 3 VAL 1.100 0.115 4 0 "[ . 1 . 2]"
1 4 CYS 2.179 0.135 20 0 "[ . 1 . 2]"
1 5 ARG 1.676 0.135 20 0 "[ . 1 . 2]"
1 6 ARG 0.345 0.078 16 0 "[ . 1 . 2]"
1 7 GLY 2.086 0.107 5 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.520 0.065 15 0 "[ . 1 . 2]"
1 10 ARG 1.147 0.115 4 0 "[ . 1 . 2]"
1 11 CYS 2.174 0.157 6 0 "[ . 1 . 2]"
1 12 VAL 1.116 0.157 6 0 "[ . 1 . 2]"
1 13 CYS 2.764 0.135 3 0 "[ . 1 . 2]"
1 14 ARG 2.471 0.135 3 0 "[ . 1 . 2]"
1 15 ARG 3.425 0.194 16 0 "[ . 1 . 2]"
1 16 GLY 1.656 0.171 11 0 "[ . 1 . 2]"
1 17 VAL 1.852 0.130 14 0 "[ . 1 . 2]"
1 18 CYS 0.922 0.130 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 17 VAL H 1 17 VAL HB 2.610 . 3.420 2.898 2.512 3.460 0.040 8 0 "[ . 1 . 2]" 1
2 1 15 ARG H 1 15 ARG HA 2.315 . 2.830 2.504 2.191 2.863 0.033 19 0 "[ . 1 . 2]" 1
3 1 15 ARG H 1 15 ARG HB2 2.705 . 3.610 2.646 2.356 2.886 . 0 0 "[ . 1 . 2]" 1
4 1 15 ARG H 1 15 ARG HB3 2.410 . 3.020 2.890 2.418 3.214 0.194 16 0 "[ . 1 . 2]" 1
5 1 14 ARG H 1 14 ARG QB 2.895 . 3.990 2.569 2.378 3.130 . 0 0 "[ . 1 . 2]" 1
6 1 13 CYS H 1 13 CYS HB3 2.640 . 3.480 3.159 2.397 3.590 0.110 11 0 "[ . 1 . 2]" 1
7 1 13 CYS H 1 13 CYS HB2 2.640 . 3.480 2.802 2.362 3.570 0.090 12 0 "[ . 1 . 2]" 1
8 1 12 VAL H 1 12 VAL HB 2.735 . 3.670 2.833 2.500 3.713 0.043 8 0 "[ . 1 . 2]" 1
9 1 11 CYS H 1 11 CYS HB3 2.690 . 3.580 3.306 2.629 3.631 0.051 2 0 "[ . 1 . 2]" 1
10 1 11 CYS H 1 11 CYS HB2 2.690 . 3.580 2.655 2.385 3.173 . 0 0 "[ . 1 . 2]" 1
11 1 10 ARG H 1 10 ARG HB2 2.505 . 3.210 3.046 2.762 3.230 0.020 7 0 "[ . 1 . 2]" 1
12 1 10 ARG H 1 10 ARG HB3 2.535 . 3.270 2.594 2.463 2.798 . 0 0 "[ . 1 . 2]" 1
13 1 9 CYS H 1 9 CYS HB3 2.765 . 3.730 3.657 3.609 3.724 . 0 0 "[ . 1 . 2]" 1
14 1 4 CYS H 1 4 CYS HB2 2.550 . 3.300 2.615 2.547 2.718 . 0 0 "[ . 1 . 2]" 1
15 1 8 VAL H 1 8 VAL HB 2.610 . 3.420 2.649 2.487 3.173 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLY H 1 7 GLY HA3 2.285 . 2.770 2.857 2.832 2.877 0.107 5 0 "[ . 1 . 2]" 1
17 1 7 GLY H 1 7 GLY HA2 2.285 . 2.770 2.319 2.275 2.369 . 0 0 "[ . 1 . 2]" 1
18 1 6 ARG H 1 6 ARG HA 2.315 . 2.830 2.243 2.204 2.268 . 0 0 "[ . 1 . 2]" 1
19 1 6 ARG H 1 6 ARG HB3 2.815 . 3.830 3.612 3.505 3.706 . 0 0 "[ . 1 . 2]" 1
20 1 5 ARG H 1 5 ARG QB 2.925 . 4.050 2.704 2.508 3.143 . 0 0 "[ . 1 . 2]" 1
21 1 9 CYS H 1 9 CYS HB2 2.440 . 3.080 2.485 2.406 2.604 . 0 0 "[ . 1 . 2]" 1
22 1 4 CYS H 1 4 CYS HB3 2.795 . 3.790 3.718 3.636 3.795 0.005 7 0 "[ . 1 . 2]" 1
23 1 3 VAL H 1 3 VAL HB 2.550 . 3.300 2.718 2.468 3.303 0.003 14 0 "[ . 1 . 2]" 1
24 1 2 CYS H 1 2 CYS HB3 2.735 . 3.670 3.535 2.617 3.728 0.058 1 0 "[ . 1 . 2]" 1
25 1 2 CYS H 1 2 CYS HB2 2.735 . 3.670 2.637 2.413 3.288 . 0 0 "[ . 1 . 2]" 1
26 1 1 ARG HA 1 2 CYS H 2.315 . 2.830 2.267 2.087 2.488 . 0 0 "[ . 1 . 2]" 1
27 1 2 CYS HA 1 3 VAL H 2.380 . 2.960 2.238 2.097 2.437 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL HA 1 4 CYS H 2.285 . 2.770 2.169 2.097 2.298 . 0 0 "[ . 1 . 2]" 1
29 1 4 CYS HA 1 10 ARG H 2.735 . 3.670 3.261 2.833 3.465 . 0 0 "[ . 1 . 2]" 1
30 1 4 CYS HA 1 5 ARG H 2.145 . 2.490 2.013 1.931 2.117 . 0 0 "[ . 1 . 2]" 1
31 1 4 CYS HB3 1 5 ARG H 2.720 . 3.640 3.104 2.922 3.263 . 0 0 "[ . 1 . 2]" 1
32 1 4 CYS HB2 1 5 ARG H 2.845 . 3.890 3.974 3.889 4.025 0.135 20 0 "[ . 1 . 2]" 1
33 1 5 ARG H 1 8 VAL H 2.595 . 3.390 3.064 2.822 3.327 . 0 0 "[ . 1 . 2]" 1
34 1 5 ARG H 1 9 CYS HA 2.750 . 3.700 3.436 3.177 3.617 . 0 0 "[ . 1 . 2]" 1
35 1 5 ARG HA 1 6 ARG H 2.270 . 2.740 2.117 2.047 2.177 . 0 0 "[ . 1 . 2]" 1
36 1 6 ARG HA 1 7 GLY H 2.285 . 2.770 2.737 2.500 2.848 0.078 16 0 "[ . 1 . 2]" 1
37 1 7 GLY H 1 8 VAL H 2.395 . 2.990 2.715 2.617 2.857 . 0 0 "[ . 1 . 2]" 1
38 1 8 VAL HA 1 9 CYS H 2.180 . 2.560 2.144 2.075 2.222 . 0 0 "[ . 1 . 2]" 1
39 1 9 CYS HA 1 10 ARG H 2.240 . 2.680 2.095 2.051 2.216 . 0 0 "[ . 1 . 2]" 1
40 1 4 CYS HA 1 9 CYS HA 2.195 . 2.590 1.987 1.935 2.083 0.065 15 0 "[ . 1 . 2]" 1
41 1 9 CYS HB3 1 10 ARG H 2.705 . 3.610 3.354 2.822 3.620 0.010 20 0 "[ . 1 . 2]" 1
42 1 3 VAL H 1 10 ARG H 2.365 . 2.930 2.985 2.943 3.045 0.115 4 0 "[ . 1 . 2]" 1
43 1 10 ARG HA 1 11 CYS H 2.180 . 2.560 2.170 2.088 2.271 . 0 0 "[ . 1 . 2]" 1
44 1 11 CYS HA 1 12 VAL H 2.285 . 2.770 2.103 1.860 2.226 . 0 0 "[ . 1 . 2]" 1
45 1 11 CYS HB2 1 12 VAL H 2.955 . 4.110 4.120 3.953 4.195 0.085 1 0 "[ . 1 . 2]" 1
46 1 11 CYS HB3 1 12 VAL H 2.955 . 4.110 3.511 2.850 4.045 . 0 0 "[ . 1 . 2]" 1
47 1 12 VAL HA 1 13 CYS H 2.180 . 2.560 2.166 2.050 2.313 . 0 0 "[ . 1 . 2]" 1
48 1 13 CYS HA 1 14 ARG H 2.225 . 2.650 2.332 2.059 2.619 . 0 0 "[ . 1 . 2]" 1
49 1 13 CYS HB3 1 14 ARG H 2.640 . 3.480 2.935 2.316 3.597 0.117 19 0 "[ . 1 . 2]" 1
50 1 13 CYS HB2 1 14 ARG H 2.640 . 3.480 3.279 2.055 3.615 0.135 3 0 "[ . 1 . 2]" 1
51 1 14 ARG H 1 17 VAL H 2.470 . 3.140 3.158 3.001 3.252 0.112 9 0 "[ . 1 . 2]" 1
52 1 14 ARG HA 1 15 ARG H 2.255 . 2.710 2.310 2.101 2.519 . 0 0 "[ . 1 . 2]" 1
53 1 15 ARG H 1 16 GLY H 2.535 . 3.270 3.291 2.730 3.441 0.171 11 0 "[ . 1 . 2]" 1
54 1 15 ARG HA 1 16 GLY H 2.300 . 2.800 2.373 2.141 2.826 0.026 16 0 "[ . 1 . 2]" 1
55 1 16 GLY H 1 17 VAL H 2.505 . 3.210 2.296 1.752 2.893 0.048 6 0 "[ . 1 . 2]" 1
56 1 17 VAL H 1 18 CYS H 2.750 . 3.700 3.706 3.408 3.830 0.130 14 0 "[ . 1 . 2]" 1
57 1 17 VAL HA 1 18 CYS H 2.225 . 2.650 2.158 1.979 2.301 . 0 0 "[ . 1 . 2]" 1
58 1 15 ARG H 1 15 ARG QD 4.090 . 6.380 4.643 3.859 5.165 . 0 0 "[ . 1 . 2]" 1
59 1 15 ARG H 1 15 ARG QG 3.655 . 5.510 4.083 3.933 4.336 . 0 0 "[ . 1 . 2]" 1
60 1 14 ARG H 1 14 ARG QD 4.090 . 6.380 4.219 3.524 5.102 . 0 0 "[ . 1 . 2]" 1
61 1 14 ARG H 1 14 ARG QG 4.090 . 6.380 3.141 2.331 4.204 . 0 0 "[ . 1 . 2]" 1
62 1 10 ARG H 1 10 ARG QD 4.090 . 6.380 4.744 4.289 5.202 . 0 0 "[ . 1 . 2]" 1
63 1 10 ARG H 1 10 ARG QG 3.985 . 6.170 4.043 3.941 4.196 . 0 0 "[ . 1 . 2]" 1
64 1 6 ARG H 1 6 ARG QD 4.090 . 6.380 4.877 3.790 5.520 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG H 1 6 ARG QG 4.090 . 6.380 4.249 4.029 4.552 . 0 0 "[ . 1 . 2]" 1
66 1 5 ARG H 1 5 ARG QD 4.090 . 6.380 4.767 3.917 5.263 . 0 0 "[ . 1 . 2]" 1
67 1 5 ARG H 1 5 ARG HG3 3.495 . 5.190 4.086 2.922 4.808 . 0 0 "[ . 1 . 2]" 1
68 1 5 ARG H 1 5 ARG HG2 3.495 . 5.190 4.126 2.355 5.003 . 0 0 "[ . 1 . 2]" 1
69 1 5 ARG HA 1 5 ARG HE 3.650 . 5.500 4.451 3.087 5.341 . 0 0 "[ . 1 . 2]" 1
70 1 6 ARG HA 1 6 ARG HE 3.650 . 5.500 4.297 1.982 5.438 . 0 0 "[ . 1 . 2]" 1
71 1 10 ARG HA 1 10 ARG HE 3.650 . 5.500 4.309 1.864 5.173 . 0 0 "[ . 1 . 2]" 1
72 1 14 ARG HA 1 14 ARG HE 3.650 . 5.500 4.543 3.356 5.219 . 0 0 "[ . 1 . 2]" 1
73 1 15 ARG HA 1 15 ARG HE 3.650 . 5.500 4.298 3.128 5.292 . 0 0 "[ . 1 . 2]" 1
74 1 1 ARG HA 1 1 ARG HE 3.650 . 5.500 4.647 3.648 5.217 . 0 0 "[ . 1 . 2]" 1
75 1 1 ARG HA 1 1 ARG QD 4.090 . 6.380 3.488 1.985 4.572 . 0 0 "[ . 1 . 2]" 1
76 1 5 ARG HA 1 5 ARG QD 4.090 . 6.380 3.963 2.060 4.516 . 0 0 "[ . 1 . 2]" 1
77 1 6 ARG HA 1 6 ARG QD 4.090 . 6.380 3.567 1.943 4.252 . 0 0 "[ . 1 . 2]" 1
78 1 14 ARG HA 1 14 ARG QD 4.090 . 6.380 3.243 2.068 4.478 . 0 0 "[ . 1 . 2]" 1
79 1 15 ARG HA 1 15 ARG QD 4.090 . 6.380 3.649 2.035 4.284 . 0 0 "[ . 1 . 2]" 1
80 1 3 VAL QG 1 4 CYS H 4.435 . 7.070 2.753 2.379 3.103 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL QG 1 9 CYS H 4.420 . 7.040 2.917 2.363 3.176 . 0 0 "[ . 1 . 2]" 1
82 1 12 VAL QG 1 13 CYS H 4.500 . 7.200 2.989 2.316 3.679 . 0 0 "[ . 1 . 2]" 1
83 1 17 VAL QG 1 18 CYS H 4.700 . 7.600 3.324 2.957 3.501 . 0 0 "[ . 1 . 2]" 1
84 1 1 ARG HA 1 1 ARG QB 2.210 . 2.620 2.370 2.186 2.466 . 0 0 "[ . 1 . 2]" 1
85 1 1 ARG QB 1 2 CYS H 2.870 . 3.940 3.425 2.278 3.984 0.044 17 0 "[ . 1 . 2]" 1
86 1 2 CYS H 1 2 CYS QB 2.435 . 3.070 2.516 2.377 2.738 . 0 0 "[ . 1 . 2]" 1
87 1 2 CYS QB 1 3 VAL H 2.695 . 3.590 3.146 2.770 3.547 . 0 0 "[ . 1 . 2]" 1
88 1 5 ARG H 1 5 ARG QG 3.065 . 4.330 3.564 2.294 4.234 . 0 0 "[ . 1 . 2]" 1
89 1 11 CYS H 1 11 CYS QB 2.345 . 2.890 2.472 2.353 2.606 . 0 0 "[ . 1 . 2]" 1
90 1 11 CYS QB 1 12 VAL H 2.640 . 3.480 3.307 2.790 3.637 0.157 6 0 "[ . 1 . 2]" 1
91 1 13 CYS H 1 13 CYS QB 2.305 . 2.810 2.472 2.247 2.825 0.015 13 0 "[ . 1 . 2]" 1
92 1 18 CYS H 1 18 CYS QB 2.470 . 3.140 2.607 2.417 3.160 0.020 14 0 "[ . 1 . 2]" 1
93 1 2 CYS HA 1 11 CYS HA 2.195 . 102.195 2.049 1.891 2.382 0.109 5 0 "[ . 1 . 2]" 1
94 1 13 CYS HA 1 18 CYS HA 2.195 . 102.195 3.162 1.978 5.493 0.022 3 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 10
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 33.473
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0158
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0246
_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 3 VAL 0.451 0.044 14 0 "[ . 1 . 2]"
1 5 ARG 0.560 0.057 1 0 "[ . 1 . 2]"
1 8 VAL 0.560 0.057 1 0 "[ . 1 . 2]"
1 10 ARG 0.451 0.044 14 0 "[ . 1 . 2]"
1 14 ARG 0.662 0.082 4 0 "[ . 1 . 2]"
1 17 VAL 0.662 0.082 4 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 5 ARG O 1 8 VAL H 1.900 . 2.000 2.019 1.889 2.057 0.057 1 0 "[ . 1 . 2]" 2
2 1 5 ARG O 1 8 VAL N 2.400 . 3.000 2.942 2.798 2.995 . 0 0 "[ . 1 . 2]" 2
3 1 5 ARG H 1 8 VAL O 1.900 . 2.000 1.841 1.778 1.983 0.022 6 0 "[ . 1 . 2]" 2
4 1 5 ARG N 1 8 VAL O 2.400 . 3.000 2.803 2.746 2.939 . 0 0 "[ . 1 . 2]" 2
5 1 3 VAL O 1 10 ARG H 1.900 . 2.000 1.797 1.757 1.943 0.043 13 0 "[ . 1 . 2]" 2
6 1 3 VAL O 1 10 ARG N 2.400 . 3.000 2.766 2.727 2.883 . 0 0 "[ . 1 . 2]" 2
7 1 3 VAL H 1 10 ARG O 1.900 . 2.000 1.854 1.779 2.044 0.044 14 0 "[ . 1 . 2]" 2
8 1 3 VAL N 1 10 ARG O 2.400 . 3.000 2.825 2.751 2.993 . 0 0 "[ . 1 . 2]" 2
9 1 14 ARG O 1 17 VAL H 1.900 . 2.000 2.029 1.938 2.082 0.082 4 0 "[ . 1 . 2]" 2
10 1 14 ARG O 1 17 VAL N 2.400 . 3.000 2.936 2.866 2.990 . 0 0 "[ . 1 . 2]" 2
stop_
save_