NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451958 |
2rq2   |
11072 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rq2
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 264
_Distance_constraint_stats_list.Viol_count 245
_Distance_constraint_stats_list.Viol_total 295.496
_Distance_constraint_stats_list.Viol_max 0.193
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_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 PRO 0.008 0.008 8 0 "[ . 1 . 2]"
1 2 ALA 0.044 0.013 5 0 "[ . 1 . 2]"
1 3 ILE 0.036 0.013 5 0 "[ . 1 . 2]"
1 4 TYR 6.294 0.193 9 0 "[ . 1 . 2]"
1 5 ILE 11.964 0.193 9 0 "[ . 1 . 2]"
1 6 GLY 5.373 0.170 17 0 "[ . 1 . 2]"
1 7 ALA 0.134 0.035 7 0 "[ . 1 . 2]"
1 8 THR 0.442 0.054 8 0 "[ . 1 . 2]"
1 9 VAL 0.444 0.054 8 0 "[ . 1 . 2]"
1 10 GLY 0.050 0.042 5 0 "[ . 1 . 2]"
1 11 PRO 0.064 0.015 10 0 "[ . 1 . 2]"
1 12 SER 0.068 0.017 7 0 "[ . 1 . 2]"
1 13 VAL 0.038 0.038 4 0 "[ . 1 . 2]"
1 14 TRP 0.105 0.038 4 0 "[ . 1 . 2]"
1 15 ALA 0.065 0.017 7 0 "[ . 1 . 2]"
1 16 TYR 0.013 0.007 4 0 "[ . 1 . 2]"
1 17 LEU 1.588 0.083 12 0 "[ . 1 . 2]"
1 18 VAL 1.104 0.083 12 0 "[ . 1 . 2]"
1 19 ALA 0.018 0.012 1 0 "[ . 1 . 2]"
1 20 LEU 0.007 0.007 4 0 "[ . 1 . 2]"
1 21 VAL 0.011 0.011 8 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.023 0.011 8 0 "[ . 1 . 2]"
1 25 ALA 0.162 0.030 12 0 "[ . 1 . 2]"
1 26 VAL 0.300 0.046 9 0 "[ . 1 . 2]"
1 27 THR 0.149 0.046 9 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 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 PRO HA 1 2 ALA H 2.400 . 3.000 2.494 2.234 2.822 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA H 1 2 ALA HA 2.610 . 3.420 2.912 2.364 3.003 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 3 ILE H 2.700 . 3.600 2.681 2.031 3.613 0.013 2 0 "[ . 1 . 2]" 1
4 1 1 PRO HB2 1 2 ALA H 2.760 . 3.720 2.623 1.867 3.387 . 0 0 "[ . 1 . 2]" 1
5 1 1 PRO HB3 1 2 ALA H 2.870 . 3.940 3.538 3.197 3.948 0.008 8 0 "[ . 1 . 2]" 1
6 1 2 ALA H 1 2 ALA MB 2.940 . 4.080 2.601 2.006 2.839 . 0 0 "[ . 1 . 2]" 1
7 1 3 ILE HA 1 3 ILE HB 2.570 . 3.340 3.034 3.025 3.039 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA HA 1 3 ILE H 2.390 . 2.980 2.769 2.298 2.993 0.013 5 0 "[ . 1 . 2]" 1
9 1 3 ILE H 1 3 ILE HB 2.530 . 3.260 2.431 2.256 2.617 . 0 0 "[ . 1 . 2]" 1
10 1 3 ILE H 1 3 ILE HG12 2.690 . 3.580 2.870 1.877 3.571 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE H 1 3 ILE HA 2.700 . 3.600 2.920 2.790 2.992 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE H 1 3 ILE HG13 2.840 . 3.880 2.752 1.932 3.832 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE H 1 3 ILE MD 3.260 . 4.720 3.285 2.148 3.677 . 0 0 "[ . 1 . 2]" 1
14 1 1 PRO HB2 1 3 ILE H 3.330 . 4.860 3.410 2.765 4.783 . 0 0 "[ . 1 . 2]" 1
15 1 2 ALA MB 1 3 ILE H 3.330 . 4.860 3.683 3.602 3.736 . 0 0 "[ . 1 . 2]" 1
16 1 3 ILE HA 1 3 ILE MG 2.990 . 4.180 2.332 2.177 2.494 . 0 0 "[ . 1 . 2]" 1
17 1 4 TYR H 1 4 TYR HB2 2.550 . 3.300 2.223 2.028 2.558 . 0 0 "[ . 1 . 2]" 1
18 1 4 TYR H 1 5 ILE H 2.570 . 3.340 2.444 2.054 2.715 . 0 0 "[ . 1 . 2]" 1
19 1 4 TYR H 1 4 TYR HB3 2.580 . 3.360 3.278 3.127 3.409 0.049 20 0 "[ . 1 . 2]" 1
20 1 4 TYR H 1 4 TYR HA 2.590 . 3.380 2.985 2.960 2.998 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE HB 1 4 TYR H 2.720 . 3.640 2.111 1.852 2.831 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE H 1 4 TYR H 2.730 . 3.660 2.803 2.282 3.573 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE MG 1 4 TYR H 3.180 . 4.560 2.931 1.879 3.789 . 0 0 "[ . 1 . 2]" 1
24 1 4 TYR HA 1 4 TYR HB3 2.610 . 3.420 2.816 2.733 2.871 . 0 0 "[ . 1 . 2]" 1
25 1 4 TYR HA 1 4 TYR HB2 2.580 . 3.360 2.886 2.837 2.942 . 0 0 "[ . 1 . 2]" 1
26 1 4 TYR HB3 1 4 TYR QD 2.970 . 4.140 2.478 2.299 2.775 . 0 0 "[ . 1 . 2]" 1
27 1 4 TYR HA 1 4 TYR QD 2.980 . 4.160 2.586 1.898 2.941 . 0 0 "[ . 1 . 2]" 1
28 1 4 TYR HB2 1 4 TYR QD 2.980 . 4.160 2.446 2.302 2.698 . 0 0 "[ . 1 . 2]" 1
29 1 4 TYR H 1 4 TYR QD 3.190 . 4.580 3.648 3.165 4.225 . 0 0 "[ . 1 . 2]" 1
30 1 4 TYR QD 1 5 ILE H 3.390 . 4.980 4.746 4.439 4.902 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE MG 1 4 TYR QD 4.400 . 7.000 2.629 1.965 3.775 . 0 0 "[ . 1 . 2]" 1
32 1 5 ILE HA 1 5 ILE HB 2.570 . 3.340 3.024 3.014 3.026 . 0 0 "[ . 1 . 2]" 1
33 1 4 TYR HA 1 5 ILE H 2.310 . 2.820 2.997 2.977 3.013 0.193 9 0 "[ . 1 . 2]" 1
34 1 5 ILE H 1 5 ILE HB 2.480 . 3.160 2.424 2.304 3.232 0.072 10 0 "[ . 1 . 2]" 1
35 1 5 ILE H 1 5 ILE HA 2.560 . 3.320 2.941 2.382 2.994 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE H 1 5 ILE HG12 2.630 . 3.460 2.954 2.101 3.492 0.032 5 0 "[ . 1 . 2]" 1
37 1 5 ILE H 1 5 ILE HG13 2.660 . 3.520 2.923 2.295 3.566 0.046 19 0 "[ . 1 . 2]" 1
38 1 4 TYR HB2 1 5 ILE H 2.860 . 3.920 4.001 3.969 4.047 0.127 17 0 "[ . 1 . 2]" 1
39 1 4 TYR HB3 1 5 ILE H 2.900 . 4.000 4.051 3.990 4.135 0.135 8 0 "[ . 1 . 2]" 1
40 1 5 ILE H 1 5 ILE MG 3.330 . 4.860 3.754 3.714 3.989 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE HA 1 5 ILE HG12 2.860 . 3.920 2.632 2.392 3.131 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE HA 1 5 ILE MG 3.030 . 4.260 2.307 2.196 2.395 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE HA 1 6 GLY H 2.310 . 2.820 2.980 2.961 2.990 0.170 17 0 "[ . 1 . 2]" 1
44 1 6 GLY H 1 6 GLY HA3 2.460 . 3.120 2.806 2.537 2.991 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLY H 1 6 GLY HA2 2.500 . 3.200 2.769 2.420 2.991 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE H 1 6 GLY H 2.590 . 3.380 2.730 2.515 2.855 . 0 0 "[ . 1 . 2]" 1
47 1 5 ILE HB 1 6 GLY H 2.790 . 3.780 3.885 3.873 3.926 0.146 10 0 "[ . 1 . 2]" 1
48 1 5 ILE MG 1 6 GLY H 3.350 . 4.900 4.074 4.045 4.131 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLY H 1 7 ALA H 2.560 . 3.320 2.361 1.872 3.130 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA H 1 7 ALA HA 2.590 . 3.380 2.790 2.363 3.003 . 0 0 "[ . 1 . 2]" 1
51 1 6 GLY HA3 1 7 ALA H 2.680 . 3.560 3.330 2.789 3.580 0.020 6 0 "[ . 1 . 2]" 1
52 1 6 GLY HA2 1 7 ALA H 2.700 . 3.600 3.109 2.560 3.569 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA H 1 7 ALA MB 2.890 . 3.980 2.484 1.979 2.865 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE HA 1 7 ALA H 3.200 . 4.600 4.267 3.512 4.600 0.000 15 0 "[ . 1 . 2]" 1
55 1 4 TYR HA 1 7 ALA MB 3.810 . 5.820 3.888 2.847 4.660 . 0 0 "[ . 1 . 2]" 1
56 1 8 THR HA 1 8 THR HB 2.860 . 3.920 2.815 2.386 3.037 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA HA 1 8 THR H 2.450 . 3.100 2.926 2.274 3.101 0.001 1 0 "[ . 1 . 2]" 1
58 1 8 THR H 1 8 THR HB 2.520 . 3.240 2.748 2.239 3.199 . 0 0 "[ . 1 . 2]" 1
59 1 8 THR H 1 8 THR HA 2.550 . 3.300 2.881 2.378 3.003 . 0 0 "[ . 1 . 2]" 1
60 1 7 ALA H 1 8 THR H 2.640 . 3.480 2.673 1.877 3.515 0.035 7 0 "[ . 1 . 2]" 1
61 1 7 ALA MB 1 8 THR H 3.010 . 4.220 3.577 3.525 3.653 . 0 0 "[ . 1 . 2]" 1
62 1 8 THR H 1 8 THR MG 3.220 . 4.640 3.228 1.820 3.848 . 0 0 "[ . 1 . 2]" 1
63 1 8 THR HA 1 8 THR MG 3.100 . 4.400 2.515 1.944 3.198 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL HA 1 9 VAL HB 2.550 . 3.300 3.008 2.553 3.038 . 0 0 "[ . 1 . 2]" 1
65 1 8 THR HA 1 9 VAL H 2.500 . 3.200 2.727 2.316 3.254 0.054 8 0 "[ . 1 . 2]" 1
66 1 9 VAL H 1 9 VAL HA 2.560 . 3.320 2.909 2.370 3.003 . 0 0 "[ . 1 . 2]" 1
67 1 9 VAL H 1 9 VAL HB 2.590 . 3.380 2.547 2.175 3.386 0.006 5 0 "[ . 1 . 2]" 1
68 1 8 THR HB 1 9 VAL H 2.710 . 3.620 3.419 2.225 3.663 0.043 18 0 "[ . 1 . 2]" 1
69 1 9 VAL H 1 9 VAL MG2 3.180 . 4.560 2.581 1.954 3.877 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL H 1 9 VAL MG1 3.250 . 4.700 3.689 2.035 3.978 . 0 0 "[ . 1 . 2]" 1
71 1 8 THR MG 1 9 VAL H 3.650 . 5.500 2.804 1.819 4.353 . 0 0 "[ . 1 . 2]" 1
72 1 9 VAL HA 1 9 VAL MG1 3.030 . 4.260 2.398 2.203 3.183 . 0 0 "[ . 1 . 2]" 1
73 1 9 VAL HA 1 9 VAL MG2 3.100 . 4.400 2.297 2.114 2.473 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLY H 1 10 GLY HA3 2.420 . 3.040 2.733 2.347 2.989 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLY H 1 10 GLY HA2 2.640 . 3.480 2.651 2.349 2.993 . 0 0 "[ . 1 . 2]" 1
76 1 9 VAL H 1 10 GLY H 2.700 . 3.600 2.449 1.861 3.089 . 0 0 "[ . 1 . 2]" 1
77 1 9 VAL HB 1 10 GLY H 2.890 . 3.980 2.784 1.878 4.022 0.042 5 0 "[ . 1 . 2]" 1
78 1 10 GLY H 1 11 PRO QD 3.050 . 4.300 2.754 1.835 3.927 . 0 0 "[ . 1 . 2]" 1
79 1 12 SER H 1 12 SER HA 2.520 . 3.240 2.865 2.789 2.908 . 0 0 "[ . 1 . 2]" 1
80 1 11 PRO HB3 1 12 SER H 2.910 . 4.020 3.917 3.772 4.035 0.015 10 0 "[ . 1 . 2]" 1
81 1 11 PRO HB2 1 12 SER H 3.060 . 4.320 2.926 2.651 3.148 . 0 0 "[ . 1 . 2]" 1
82 1 11 PRO QD 1 12 SER H 3.320 . 4.840 2.567 2.424 2.717 . 0 0 "[ . 1 . 2]" 1
83 1 11 PRO QG 1 12 SER H 3.430 . 5.060 2.019 1.858 2.204 . 0 0 "[ . 1 . 2]" 1
84 1 12 SER HA 1 12 SER HB3 2.660 . 3.520 2.686 2.331 3.035 . 0 0 "[ . 1 . 2]" 1
85 1 12 SER HA 1 12 SER HB2 2.880 . 3.960 2.704 2.285 3.034 . 0 0 "[ . 1 . 2]" 1
86 1 13 VAL HA 1 13 VAL HB 2.800 . 3.800 3.012 2.597 3.039 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLY HA2 1 13 VAL HB 3.250 . 4.700 3.907 3.365 4.593 . 0 0 "[ . 1 . 2]" 1
88 1 10 GLY HA3 1 13 VAL HB 3.350 . 4.900 3.232 2.833 4.451 . 0 0 "[ . 1 . 2]" 1
89 1 12 SER H 1 13 VAL H 2.490 . 3.180 2.872 2.718 3.059 . 0 0 "[ . 1 . 2]" 1
90 1 13 VAL H 1 13 VAL HB 2.520 . 3.240 2.433 2.170 2.658 . 0 0 "[ . 1 . 2]" 1
91 1 13 VAL H 1 13 VAL HA 2.700 . 3.600 2.802 2.759 2.859 . 0 0 "[ . 1 . 2]" 1
92 1 12 SER HA 1 13 VAL H 2.790 . 3.780 3.589 3.576 3.594 . 0 0 "[ . 1 . 2]" 1
93 1 12 SER HB2 1 13 VAL H 2.830 . 3.860 2.971 2.040 3.817 . 0 0 "[ . 1 . 2]" 1
94 1 12 SER HB3 1 13 VAL H 2.910 . 4.020 2.971 2.152 3.736 . 0 0 "[ . 1 . 2]" 1
95 1 13 VAL H 1 13 VAL MG2 3.040 . 4.280 2.134 1.832 3.641 . 0 0 "[ . 1 . 2]" 1
96 1 13 VAL HA 1 13 VAL MG1 3.050 . 4.300 2.413 2.205 3.184 . 0 0 "[ . 1 . 2]" 1
97 1 13 VAL HA 1 13 VAL MG2 2.900 . 4.000 2.274 2.109 2.396 . 0 0 "[ . 1 . 2]" 1
98 1 14 TRP H 1 15 ALA H 2.640 . 3.480 2.786 2.617 2.958 . 0 0 "[ . 1 . 2]" 1
99 1 14 TRP H 1 14 TRP HA 2.650 . 3.500 2.855 2.788 2.905 . 0 0 "[ . 1 . 2]" 1
100 1 13 VAL HB 1 14 TRP H 2.680 . 3.560 2.633 2.264 3.598 0.038 4 0 "[ . 1 . 2]" 1
101 1 13 VAL H 1 14 TRP H 2.720 . 3.640 2.860 2.688 3.064 . 0 0 "[ . 1 . 2]" 1
102 1 14 TRP H 1 14 TRP QB 2.840 . 3.880 2.121 2.079 2.153 . 0 0 "[ . 1 . 2]" 1
103 1 11 PRO HA 1 14 TRP H 2.980 . 4.160 3.879 3.356 4.080 . 0 0 "[ . 1 . 2]" 1
104 1 13 VAL HA 1 14 TRP H 3.020 . 4.240 3.559 3.522 3.589 . 0 0 "[ . 1 . 2]" 1
105 1 13 VAL MG2 1 14 TRP H 3.640 . 5.480 3.846 3.602 3.980 . 0 0 "[ . 1 . 2]" 1
106 1 11 PRO HA 1 14 TRP QB 3.170 . 4.540 2.733 2.511 2.986 . 0 0 "[ . 1 . 2]" 1
107 1 14 TRP QB 1 14 TRP HD1 2.760 . 3.720 2.488 2.478 2.522 . 0 0 "[ . 1 . 2]" 1
108 1 11 PRO HA 1 14 TRP HD1 2.800 . 3.800 3.717 3.465 3.815 0.015 19 0 "[ . 1 . 2]" 1
109 1 14 TRP HD1 1 15 ALA HA 2.930 . 4.060 3.861 3.353 4.066 0.006 19 0 "[ . 1 . 2]" 1
110 1 14 TRP HD1 1 15 ALA H 2.980 . 4.160 3.389 2.791 3.829 . 0 0 "[ . 1 . 2]" 1
111 1 14 TRP HD1 1 15 ALA MB 3.820 . 5.840 3.636 3.235 3.984 . 0 0 "[ . 1 . 2]" 1
112 1 14 TRP HA 1 14 TRP HE3 2.370 . 2.940 2.413 2.172 2.783 . 0 0 "[ . 1 . 2]" 1
113 1 14 TRP QB 1 14 TRP HE3 3.000 . 4.200 2.896 2.741 3.006 . 0 0 "[ . 1 . 2]" 1
114 1 14 TRP HE3 1 17 LEU HB3 3.110 . 4.420 4.153 3.793 4.400 . 0 0 "[ . 1 . 2]" 1
115 1 14 TRP HZ2 1 18 VAL MG2 3.700 . 5.600 2.940 2.748 3.266 . 0 0 "[ . 1 . 2]" 1
116 1 15 ALA H 1 15 ALA HA 2.420 . 3.040 2.858 2.816 2.894 . 0 0 "[ . 1 . 2]" 1
117 1 15 ALA H 1 16 TYR H 2.590 . 3.380 2.657 2.558 2.769 . 0 0 "[ . 1 . 2]" 1
118 1 12 SER HA 1 15 ALA H 2.700 . 3.600 3.548 3.290 3.617 0.017 7 0 "[ . 1 . 2]" 1
119 1 15 ALA H 1 15 ALA MB 2.810 . 3.820 2.011 1.917 2.149 . 0 0 "[ . 1 . 2]" 1
120 1 14 TRP QB 1 15 ALA H 2.900 . 4.000 2.452 2.208 2.759 . 0 0 "[ . 1 . 2]" 1
121 1 14 TRP HA 1 15 ALA H 2.910 . 4.020 3.578 3.540 3.595 . 0 0 "[ . 1 . 2]" 1
122 1 12 SER HA 1 15 ALA MB 3.070 . 4.340 2.834 2.314 3.106 . 0 0 "[ . 1 . 2]" 1
123 1 16 TYR H 1 16 TYR HB3 2.450 . 3.100 2.821 2.541 3.059 . 0 0 "[ . 1 . 2]" 1
124 1 16 TYR H 1 16 TYR HB2 2.560 . 3.320 2.140 2.003 2.337 . 0 0 "[ . 1 . 2]" 1
125 1 16 TYR H 1 16 TYR HA 2.590 . 3.380 2.907 2.875 2.934 . 0 0 "[ . 1 . 2]" 1
126 1 15 ALA HA 1 16 TYR H 2.800 . 3.800 3.505 3.447 3.549 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL HA 1 16 TYR H 2.830 . 3.860 3.476 3.318 3.720 . 0 0 "[ . 1 . 2]" 1
128 1 15 ALA MB 1 16 TYR H 3.080 . 4.360 2.809 2.569 2.974 . 0 0 "[ . 1 . 2]" 1
129 1 16 TYR HA 1 16 TYR HB3 2.540 . 3.280 2.981 2.911 3.033 . 0 0 "[ . 1 . 2]" 1
130 1 13 VAL HA 1 16 TYR HB3 2.800 . 3.800 3.182 2.727 3.706 . 0 0 "[ . 1 . 2]" 1
131 1 16 TYR HA 1 16 TYR HB2 2.630 . 3.460 2.685 2.542 2.808 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL HA 1 16 TYR HB2 2.800 . 3.800 2.784 2.399 3.065 . 0 0 "[ . 1 . 2]" 1
133 1 16 TYR HB3 1 16 TYR QD 2.950 . 4.100 2.411 2.301 2.774 . 0 0 "[ . 1 . 2]" 1
134 1 16 TYR HB2 1 16 TYR QD 3.000 . 4.200 2.529 2.314 2.723 . 0 0 "[ . 1 . 2]" 1
135 1 16 TYR HA 1 16 TYR QD 3.010 . 4.220 2.453 1.900 3.030 . 0 0 "[ . 1 . 2]" 1
136 1 16 TYR H 1 16 TYR QD 3.340 . 4.880 3.902 3.559 4.097 . 0 0 "[ . 1 . 2]" 1
137 1 16 TYR QD 1 17 LEU H 3.410 . 5.020 4.169 3.506 4.471 . 0 0 "[ . 1 . 2]" 1
138 1 16 TYR QD 1 20 LEU MD1 4.240 . 6.680 2.748 1.793 3.831 0.007 4 0 "[ . 1 . 2]" 1
139 1 16 TYR QE 1 20 LEU MD1 3.660 . 5.520 2.772 1.849 3.635 . 0 0 "[ . 1 . 2]" 1
140 1 17 LEU HA 1 17 LEU HG 2.690 . 3.580 3.580 3.557 3.598 0.018 4 0 "[ . 1 . 2]" 1
141 1 17 LEU HG 1 18 VAL HA 3.030 . 4.260 3.173 3.097 3.257 . 0 0 "[ . 1 . 2]" 1
142 1 17 LEU H 1 17 LEU HB2 2.510 . 3.220 3.197 3.169 3.233 0.013 16 0 "[ . 1 . 2]" 1
143 1 17 LEU H 1 17 LEU HB3 2.520 . 3.240 1.944 1.925 1.975 . 0 0 "[ . 1 . 2]" 1
144 1 16 TYR H 1 17 LEU H 2.550 . 3.300 2.578 2.471 2.736 . 0 0 "[ . 1 . 2]" 1
145 1 17 LEU H 1 17 LEU HA 2.560 . 3.320 2.891 2.836 2.927 . 0 0 "[ . 1 . 2]" 1
146 1 17 LEU H 1 17 LEU HG 2.660 . 3.520 3.521 3.420 3.567 0.047 7 0 "[ . 1 . 2]" 1
147 1 16 TYR HB2 1 17 LEU H 2.720 . 3.640 3.465 3.150 3.643 0.003 1 0 "[ . 1 . 2]" 1
148 1 16 TYR HA 1 17 LEU H 2.740 . 3.680 3.568 3.530 3.592 . 0 0 "[ . 1 . 2]" 1
149 1 16 TYR HB3 1 17 LEU H 2.750 . 3.700 2.564 2.240 2.978 . 0 0 "[ . 1 . 2]" 1
150 1 14 TRP HA 1 17 LEU H 2.920 . 4.040 3.522 3.383 3.701 . 0 0 "[ . 1 . 2]" 1
151 1 17 LEU HB3 1 17 LEU HG 2.420 . 3.040 2.533 2.481 2.598 . 0 0 "[ . 1 . 2]" 1
152 1 17 LEU HA 1 17 LEU HB3 2.830 . 3.860 2.883 2.836 2.913 . 0 0 "[ . 1 . 2]" 1
153 1 14 TRP HA 1 17 LEU HB3 2.950 . 4.100 3.063 2.699 3.256 . 0 0 "[ . 1 . 2]" 1
154 1 17 LEU HB2 1 17 LEU HG 2.860 . 3.920 3.028 3.019 3.031 . 0 0 "[ . 1 . 2]" 1
155 1 17 LEU HA 1 17 LEU HB2 2.940 . 4.080 2.265 2.261 2.270 . 0 0 "[ . 1 . 2]" 1
156 1 14 TRP HA 1 17 LEU HB2 3.330 . 4.860 4.697 4.273 4.873 0.013 16 0 "[ . 1 . 2]" 1
157 1 15 ALA HA 1 18 VAL HB 2.710 . 3.620 2.576 2.392 2.851 . 0 0 "[ . 1 . 2]" 1
158 1 18 VAL HA 1 18 VAL HB 2.710 . 3.620 3.031 3.019 3.039 . 0 0 "[ . 1 . 2]" 1
159 1 18 VAL H 1 18 VAL HB 2.420 . 3.040 2.313 2.160 2.551 . 0 0 "[ . 1 . 2]" 1
160 1 18 VAL H 1 18 VAL HA 2.510 . 3.220 2.924 2.903 2.948 . 0 0 "[ . 1 . 2]" 1
161 1 17 LEU H 1 18 VAL H 2.550 . 3.300 2.523 2.387 2.701 . 0 0 "[ . 1 . 2]" 1
162 1 18 VAL H 1 19 ALA H 2.550 . 3.300 2.532 2.342 2.835 . 0 0 "[ . 1 . 2]" 1
163 1 17 LEU HA 1 18 VAL H 2.620 . 3.440 3.495 3.469 3.523 0.083 12 0 "[ . 1 . 2]" 1
164 1 17 LEU HB3 1 18 VAL H 2.640 . 3.480 3.287 3.151 3.469 . 0 0 "[ . 1 . 2]" 1
165 1 17 LEU HG 1 18 VAL H 2.650 . 3.500 2.685 2.450 2.878 . 0 0 "[ . 1 . 2]" 1
166 1 18 VAL H 1 18 VAL MG2 2.980 . 4.160 2.268 1.921 2.582 . 0 0 "[ . 1 . 2]" 1
167 1 17 LEU HB2 1 18 VAL H 3.090 . 4.380 4.279 4.181 4.352 . 0 0 "[ . 1 . 2]" 1
168 1 18 VAL H 1 18 VAL MG1 3.300 . 4.800 3.690 3.632 3.733 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA MB 1 18 VAL H 3.670 . 5.540 4.630 4.518 4.679 . 0 0 "[ . 1 . 2]" 1
170 1 18 VAL HA 1 18 VAL MG1 3.060 . 4.320 2.420 2.141 2.557 . 0 0 "[ . 1 . 2]" 1
171 1 15 ALA HA 1 18 VAL MG1 3.620 . 5.440 3.784 3.504 4.122 . 0 0 "[ . 1 . 2]" 1
172 1 18 VAL MG1 1 19 ALA HA 3.690 . 5.580 3.517 3.174 4.116 . 0 0 "[ . 1 . 2]" 1
173 1 18 VAL HA 1 18 VAL MG2 3.170 . 4.540 2.338 2.180 2.486 . 0 0 "[ . 1 . 2]" 1
174 1 15 ALA HA 1 18 VAL MG2 3.480 . 5.160 3.033 2.508 3.519 . 0 0 "[ . 1 . 2]" 1
175 1 19 ALA H 1 19 ALA HA 2.510 . 3.220 2.877 2.813 2.941 . 0 0 "[ . 1 . 2]" 1
176 1 18 VAL HB 1 19 ALA H 2.640 . 3.480 2.529 2.026 2.875 . 0 0 "[ . 1 . 2]" 1
177 1 19 ALA H 1 19 ALA MB 2.840 . 3.880 2.026 1.926 2.166 . 0 0 "[ . 1 . 2]" 1
178 1 18 VAL HA 1 19 ALA H 2.890 . 3.980 3.561 3.513 3.593 . 0 0 "[ . 1 . 2]" 1
179 1 15 ALA HA 1 19 ALA H 2.930 . 4.060 3.948 3.656 4.072 0.012 1 0 "[ . 1 . 2]" 1
180 1 16 TYR HA 1 19 ALA H 3.000 . 4.200 3.633 3.386 3.979 . 0 0 "[ . 1 . 2]" 1
181 1 18 VAL MG1 1 19 ALA H 3.510 . 5.220 3.316 2.653 3.905 . 0 0 "[ . 1 . 2]" 1
182 1 18 VAL MG2 1 19 ALA H 3.600 . 5.400 3.837 3.604 4.052 . 0 0 "[ . 1 . 2]" 1
183 1 16 TYR HA 1 19 ALA MB 3.160 . 4.520 2.905 2.572 3.331 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU HA 1 20 LEU HG 2.730 . 3.660 2.386 2.000 2.939 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU H 1 20 LEU HA 2.500 . 3.200 2.892 2.842 2.953 . 0 0 "[ . 1 . 2]" 1
186 1 19 ALA H 1 20 LEU H 2.540 . 3.280 2.643 2.384 2.811 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU H 1 20 LEU HG 2.670 . 3.540 3.124 2.202 3.502 . 0 0 "[ . 1 . 2]" 1
188 1 20 LEU H 1 20 LEU QB 2.670 . 3.540 2.009 1.925 2.249 . 0 0 "[ . 1 . 2]" 1
189 1 19 ALA MB 1 20 LEU H 2.980 . 4.160 2.588 2.255 2.900 . 0 0 "[ . 1 . 2]" 1
190 1 17 LEU HA 1 20 LEU QB 3.020 . 4.240 2.790 2.418 3.235 . 0 0 "[ . 1 . 2]" 1
191 1 20 LEU HA 1 20 LEU MD1 3.080 . 4.360 3.672 3.463 3.750 . 0 0 "[ . 1 . 2]" 1
192 1 20 LEU HA 1 20 LEU MD2 3.020 . 4.240 2.257 1.849 2.905 . 0 0 "[ . 1 . 2]" 1
193 1 21 VAL HA 1 21 VAL HB 2.590 . 3.380 3.032 3.021 3.038 . 0 0 "[ . 1 . 2]" 1
194 1 18 VAL HA 1 21 VAL HB 2.820 . 3.840 2.958 2.658 3.156 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL H 1 21 VAL HB 2.550 . 3.300 2.328 2.214 2.449 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL H 1 21 VAL HA 2.640 . 3.480 2.882 2.816 2.954 . 0 0 "[ . 1 . 2]" 1
197 1 20 LEU H 1 21 VAL H 2.650 . 3.500 2.678 2.381 2.871 . 0 0 "[ . 1 . 2]" 1
198 1 20 LEU HA 1 21 VAL H 2.980 . 4.160 3.582 3.555 3.591 . 0 0 "[ . 1 . 2]" 1
199 1 20 LEU QB 1 21 VAL H 2.980 . 4.160 2.488 2.292 2.719 . 0 0 "[ . 1 . 2]" 1
200 1 18 VAL HA 1 21 VAL H 3.030 . 4.260 3.731 3.433 3.937 . 0 0 "[ . 1 . 2]" 1
201 1 21 VAL H 1 21 VAL MG2 3.050 . 4.300 2.148 1.859 2.390 . 0 0 "[ . 1 . 2]" 1
202 1 21 VAL H 1 21 VAL MG1 3.450 . 5.100 3.692 3.661 3.739 . 0 0 "[ . 1 . 2]" 1
203 1 21 VAL HA 1 21 VAL MG1 3.000 . 4.200 2.398 2.225 2.519 . 0 0 "[ . 1 . 2]" 1
204 1 18 VAL HA 1 21 VAL MG1 3.610 . 5.420 4.200 3.917 4.499 . 0 0 "[ . 1 . 2]" 1
205 1 21 VAL HA 1 21 VAL MG2 2.920 . 4.040 2.318 2.159 2.455 . 0 0 "[ . 1 . 2]" 1
206 1 18 VAL HA 1 21 VAL MG2 3.350 . 4.900 3.766 3.264 3.978 . 0 0 "[ . 1 . 2]" 1
207 1 20 LEU QB 1 21 VAL MG2 4.100 . 6.400 2.965 2.645 3.256 . 0 0 "[ . 1 . 2]" 1
208 1 22 GLY H 1 22 GLY HA2 2.480 . 3.160 2.902 2.787 2.965 . 0 0 "[ . 1 . 2]" 1
209 1 21 VAL H 1 22 GLY H 2.540 . 3.280 2.623 2.418 2.881 . 0 0 "[ . 1 . 2]" 1
210 1 22 GLY H 1 22 GLY HA3 2.560 . 3.320 2.365 2.346 2.409 . 0 0 "[ . 1 . 2]" 1
211 1 21 VAL HB 1 22 GLY H 2.700 . 3.600 2.978 2.430 3.416 . 0 0 "[ . 1 . 2]" 1
212 1 21 VAL HA 1 22 GLY H 2.910 . 4.020 3.471 3.337 3.587 . 0 0 "[ . 1 . 2]" 1
213 1 19 ALA HA 1 22 GLY H 3.050 . 4.300 3.653 3.454 4.060 . 0 0 "[ . 1 . 2]" 1
214 1 21 VAL MG2 1 22 GLY H 3.790 . 5.780 3.991 3.853 4.158 . 0 0 "[ . 1 . 2]" 1
215 1 23 ALA H 1 23 ALA HA 2.530 . 3.260 2.880 2.801 2.928 . 0 0 "[ . 1 . 2]" 1
216 1 22 GLY H 1 23 ALA H 2.660 . 3.520 2.518 2.211 2.882 . 0 0 "[ . 1 . 2]" 1
217 1 22 GLY HA2 1 23 ALA H 2.760 . 3.720 3.516 3.402 3.587 . 0 0 "[ . 1 . 2]" 1
218 1 23 ALA H 1 23 ALA MB 2.810 . 3.820 2.042 1.913 2.154 . 0 0 "[ . 1 . 2]" 1
219 1 22 GLY HA3 1 23 ALA H 2.830 . 3.860 2.938 2.684 3.170 . 0 0 "[ . 1 . 2]" 1
220 1 20 LEU HA 1 23 ALA H 2.890 . 3.980 3.681 3.443 3.865 . 0 0 "[ . 1 . 2]" 1
221 1 20 LEU HA 1 23 ALA MB 3.170 . 4.540 3.100 2.418 3.630 . 0 0 "[ . 1 . 2]" 1
222 1 24 ALA H 1 24 ALA HA 2.500 . 3.200 2.929 2.872 2.971 . 0 0 "[ . 1 . 2]" 1
223 1 23 ALA H 1 24 ALA H 2.580 . 3.360 2.605 2.434 2.915 . 0 0 "[ . 1 . 2]" 1
224 1 23 ALA HA 1 24 ALA H 2.740 . 3.680 3.523 3.465 3.580 . 0 0 "[ . 1 . 2]" 1
225 1 21 VAL HA 1 24 ALA H 2.760 . 3.720 3.545 3.225 3.731 0.011 8 0 "[ . 1 . 2]" 1
226 1 24 ALA H 1 24 ALA MB 2.800 . 3.800 2.066 1.953 2.235 . 0 0 "[ . 1 . 2]" 1
227 1 21 VAL HA 1 24 ALA MB 3.150 . 4.500 2.991 2.099 3.344 . 0 0 "[ . 1 . 2]" 1
228 1 25 ALA H 1 25 ALA HA 2.410 . 3.020 2.908 2.848 2.937 . 0 0 "[ . 1 . 2]" 1
229 1 24 ALA H 1 25 ALA H 2.700 . 3.600 2.439 2.225 2.680 . 0 0 "[ . 1 . 2]" 1
230 1 25 ALA H 1 25 ALA MB 2.940 . 4.080 2.046 1.926 2.183 . 0 0 "[ . 1 . 2]" 1
231 1 22 GLY HA2 1 25 ALA H 3.170 . 4.540 3.356 3.099 3.739 . 0 0 "[ . 1 . 2]" 1
232 1 22 GLY HA3 1 25 ALA H 3.260 . 4.720 4.566 4.318 4.712 . 0 0 "[ . 1 . 2]" 1
233 1 22 GLY HA3 1 25 ALA MB 3.700 . 5.600 3.964 3.722 4.385 . 0 0 "[ . 1 . 2]" 1
234 1 26 VAL HA 1 26 VAL HB 2.690 . 3.580 3.032 3.020 3.038 . 0 0 "[ . 1 . 2]" 1
235 1 23 ALA HA 1 26 VAL HB 2.900 . 4.000 3.476 2.563 3.994 . 0 0 "[ . 1 . 2]" 1
236 1 26 VAL H 1 26 VAL HB 2.470 . 3.140 2.319 2.189 2.473 . 0 0 "[ . 1 . 2]" 1
237 1 26 VAL H 1 26 VAL HA 2.580 . 3.360 2.967 2.920 2.999 . 0 0 "[ . 1 . 2]" 1
238 1 25 ALA HA 1 26 VAL H 2.610 . 3.420 3.390 3.287 3.450 0.030 12 0 "[ . 1 . 2]" 1
239 1 26 VAL H 1 27 THR H 2.620 . 3.440 2.271 2.048 2.480 . 0 0 "[ . 1 . 2]" 1
240 1 25 ALA H 1 26 VAL H 2.660 . 3.520 2.568 2.440 2.701 . 0 0 "[ . 1 . 2]" 1
241 1 26 VAL H 1 26 VAL MG2 2.980 . 4.160 2.530 2.157 2.872 . 0 0 "[ . 1 . 2]" 1
242 1 23 ALA HA 1 26 VAL H 3.060 . 4.320 3.924 3.397 4.310 . 0 0 "[ . 1 . 2]" 1
243 1 25 ALA MB 1 26 VAL H 3.120 . 4.440 3.099 2.908 3.314 . 0 0 "[ . 1 . 2]" 1
244 1 26 VAL H 1 26 VAL MG1 3.340 . 4.880 3.706 3.640 3.765 . 0 0 "[ . 1 . 2]" 1
245 1 26 VAL HA 1 26 VAL MG1 3.190 . 4.580 2.404 2.283 2.552 . 0 0 "[ . 1 . 2]" 1
246 1 26 VAL HA 1 26 VAL MG2 3.120 . 4.440 2.285 2.136 2.463 . 0 0 "[ . 1 . 2]" 1
247 1 23 ALA HA 1 26 VAL MG2 3.420 . 5.040 3.031 2.162 3.852 . 0 0 "[ . 1 . 2]" 1
248 1 27 THR H 1 27 THR HB 2.530 . 3.260 2.631 2.228 2.863 . 0 0 "[ . 1 . 2]" 1
249 1 26 VAL HA 1 27 THR H 2.620 . 3.440 3.417 3.321 3.486 0.046 9 0 "[ . 1 . 2]" 1
250 1 27 THR H 1 27 THR HA 2.660 . 3.520 2.975 2.901 3.001 . 0 0 "[ . 1 . 2]" 1
251 1 26 VAL HB 1 27 THR H 2.670 . 3.540 3.191 2.911 3.458 . 0 0 "[ . 1 . 2]" 1
252 1 24 ALA HA 1 27 THR H 2.770 . 3.740 3.531 3.163 3.751 0.011 8 0 "[ . 1 . 2]" 1
253 1 27 THR H 1 27 THR MG 3.380 . 4.960 2.939 1.867 3.788 . 0 0 "[ . 1 . 2]" 1
254 1 26 VAL MG1 1 27 THR H 3.460 . 5.120 3.796 3.541 4.022 . 0 0 "[ . 1 . 2]" 1
255 1 26 VAL MG2 1 27 THR H 3.570 . 5.340 4.071 3.875 4.217 . 0 0 "[ . 1 . 2]" 1
256 1 27 THR HA 1 27 THR MG 2.910 . 4.020 2.680 1.967 3.195 . 0 0 "[ . 1 . 2]" 1
257 1 28 ALA H 1 28 ALA HA 2.470 . 3.140 2.937 2.882 2.968 . 0 0 "[ . 1 . 2]" 1
258 1 27 THR H 1 28 ALA H 2.640 . 3.480 2.184 1.943 2.575 . 0 0 "[ . 1 . 2]" 1
259 1 27 THR HA 1 28 ALA H 2.740 . 3.680 3.488 3.370 3.586 . 0 0 "[ . 1 . 2]" 1
260 1 25 ALA HA 1 28 ALA H 2.860 . 3.920 3.618 3.223 3.879 . 0 0 "[ . 1 . 2]" 1
261 1 28 ALA H 1 28 ALA MB 2.890 . 3.980 2.095 1.914 2.191 . 0 0 "[ . 1 . 2]" 1
262 1 29 ALA H 1 29 ALA HA 2.700 . 3.600 2.960 2.908 2.996 . 0 0 "[ . 1 . 2]" 1
263 1 29 ALA H 1 29 ALA MB 2.980 . 4.160 2.108 1.944 2.288 . 0 0 "[ . 1 . 2]" 1
264 1 26 VAL HA 1 29 ALA MB 3.440 . 5.080 3.548 2.838 3.937 . 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 10
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 4.110
_Distance_constraint_stats_list.Viol_max 0.020
_Distance_constraint_stats_list.Viol_rms 0.0032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0079
_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 13 VAL 0.037 0.019 8 0 "[ . 1 . 2]"
1 14 TRP 0.013 0.013 16 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.050 0.011 11 0 "[ . 1 . 2]"
1 17 LEU 0.143 0.020 15 0 "[ . 1 . 2]"
1 18 VAL 0.013 0.013 16 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.050 0.011 11 0 "[ . 1 . 2]"
1 21 VAL 0.106 0.020 15 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 13 VAL O 1 17 LEU N 2.800 2.300 3.300 3.135 3.041 3.257 . 0 0 "[ . 1 . 2]" 2
2 1 13 VAL O 1 17 LEU H 1.800 . 2.300 2.224 2.102 2.319 0.019 8 0 "[ . 1 . 2]" 2
3 1 14 TRP O 1 18 VAL N 2.800 2.300 3.300 3.078 2.984 3.217 . 0 0 "[ . 1 . 2]" 2
4 1 14 TRP O 1 18 VAL H 1.800 . 2.300 2.212 2.099 2.313 0.013 16 0 "[ . 1 . 2]" 2
5 1 15 ALA O 1 19 ALA N 2.800 2.300 3.300 3.049 2.872 3.237 . 0 0 "[ . 1 . 2]" 2
6 1 15 ALA O 1 19 ALA H 1.800 . 2.300 2.151 2.093 2.295 . 0 0 "[ . 1 . 2]" 2
7 1 16 TYR O 1 20 LEU N 2.800 2.300 3.300 3.162 2.989 3.243 . 0 0 "[ . 1 . 2]" 2
8 1 16 TYR O 1 20 LEU H 1.800 . 2.300 2.260 2.123 2.311 0.011 11 0 "[ . 1 . 2]" 2
9 1 17 LEU O 1 21 VAL N 2.800 2.300 3.300 3.211 3.078 3.273 . 0 0 "[ . 1 . 2]" 2
10 1 17 LEU O 1 21 VAL H 1.800 . 2.300 2.292 2.166 2.320 0.020 15 0 "[ . 1 . 2]" 2
stop_
save_
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