NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509940 |
2l7l   |
17360 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7l
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 234
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 0.859
_Distance_constraint_stats_list.Viol_max 0.179
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.1228
_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
2 1 ALA 0.000 0.000 . 0 "[ ]"
2 2 LYS 0.373 0.179 1 0 "[ ]"
2 3 SER 0.000 0.000 . 0 "[ ]"
2 4 LYS 0.000 0.000 . 0 "[ ]"
2 5 TRP 0.000 0.000 . 0 "[ ]"
2 6 LYS 0.238 0.179 1 0 "[ ]"
2 7 GLN 0.000 0.000 . 0 "[ ]"
2 8 ALA 0.000 0.000 . 0 "[ ]"
2 9 PHE 0.287 0.153 1 0 "[ ]"
2 10 ASN 0.312 0.160 1 0 "[ ]"
2 11 ALA 0.174 0.131 1 0 "[ ]"
2 12 THR 0.000 0.000 . 0 "[ ]"
2 13 ALA 0.042 0.042 1 0 "[ ]"
2 14 VAL 0.291 0.160 1 0 "[ ]"
2 15 VAL 0.000 0.000 . 0 "[ ]"
2 16 ARG 0.000 0.000 . 0 "[ ]"
2 17 HIS 0.000 0.000 . 0 "[ ]"
2 18 MET 0.000 0.000 . 0 "[ ]"
2 19 ARG 0.000 0.000 . 0 "[ ]"
2 20 LYS 0.000 0.000 . 0 "[ ]"
2 21 LEU 0.000 0.000 . 0 "[ ]"
2 22 GLN 0.000 0.000 . 0 "[ ]"
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 2 6 LYS HA 2 10 ASN H 4.970 . 4.970 3.278 3.278 3.278 . 0 0 "[ ]" 1
2 2 9 PHE QD 2 10 ASN H 4.370 . 4.370 3.211 3.211 3.211 . 0 0 "[ ]" 1
3 2 10 ASN H 2 11 ALA H 4.160 . 4.160 2.651 2.651 2.651 . 0 0 "[ ]" 1
4 2 9 PHE H 2 10 ASN H 4.190 . 4.190 2.827 2.827 2.827 . 0 0 "[ ]" 1
5 2 9 PHE H 2 9 PHE QD 4.660 . 4.660 4.175 4.175 4.175 . 0 0 "[ ]" 1
6 2 8 ALA H 2 9 PHE H 4.040 . 4.040 2.747 2.747 2.747 . 0 0 "[ ]" 1
7 2 6 LYS HA 2 9 PHE H 4.150 . 4.150 3.785 3.785 3.785 . 0 0 "[ ]" 1
8 2 8 ALA MB 2 9 PHE H 3.710 . 3.710 2.508 2.508 2.508 . 0 0 "[ ]" 1
9 2 1 ALA MB 2 2 LYS H 3.580 . 3.580 2.302 2.302 2.302 . 0 0 "[ ]" 1
10 2 2 LYS H 2 3 SER H 3.960 . 3.960 2.636 2.636 2.636 . 0 0 "[ ]" 1
11 2 1 ALA H1 2 2 LYS H 4.400 . 4.400 1.928 1.928 1.928 . 0 0 "[ ]" 1
12 2 13 ALA H 2 14 VAL H 4.100 . 4.100 2.740 2.740 2.740 . 0 0 "[ ]" 1
13 2 14 VAL H 2 15 VAL H 4.120 . 4.120 2.637 2.637 2.637 . 0 0 "[ ]" 1
14 2 11 ALA HA 2 14 VAL H 4.480 . 4.480 3.957 3.957 3.957 . 0 0 "[ ]" 1
15 2 14 VAL H 2 14 VAL HB 3.370 . 3.370 2.424 2.424 2.424 . 0 0 "[ ]" 1
16 2 13 ALA MB 2 14 VAL H 4.050 . 4.050 2.413 2.413 2.413 . 0 0 "[ ]" 1
17 2 1 ALA H1 2 1 ALA MB 3.110 . 3.110 2.347 2.347 2.347 . 0 0 "[ ]" 1
18 2 17 HIS H 2 18 MET H 4.380 . 4.380 2.648 2.648 2.648 . 0 0 "[ ]" 1
19 2 18 MET H 2 19 ARG H 4.300 . 4.300 2.726 2.726 2.726 . 0 0 "[ ]" 1
20 2 15 VAL HA 2 18 MET H 5.230 . 5.230 3.939 3.939 3.939 . 0 0 "[ ]" 1
21 2 14 VAL HA 2 18 MET H 5.500 . 5.500 3.332 3.332 3.332 . 0 0 "[ ]" 1
22 2 18 MET H 2 18 MET ME 5.500 . 5.500 4.712 4.712 4.712 . 0 0 "[ ]" 1
23 2 15 VAL MG1 2 18 MET H 5.500 . 5.500 5.224 5.224 5.224 . 0 0 "[ ]" 1
24 2 11 ALA H 2 13 ALA MB 5.500 . 5.500 4.643 4.643 4.643 . 0 0 "[ ]" 1
25 2 11 ALA H 2 12 THR MG 5.030 . 5.030 4.468 4.468 4.468 . 0 0 "[ ]" 1
26 2 11 ALA H 2 11 ALA MB 3.140 . 3.140 2.172 2.172 2.172 . 0 0 "[ ]" 1
27 2 8 ALA MB 2 11 ALA H 5.500 . 5.500 4.687 4.687 4.687 . 0 0 "[ ]" 1
28 2 8 ALA HA 2 11 ALA H 4.520 . 4.520 3.602 3.602 3.602 . 0 0 "[ ]" 1
29 2 7 GLN HA 2 11 ALA H 4.830 . 4.830 3.932 3.932 3.932 . 0 0 "[ ]" 1
30 2 11 ALA H 2 12 THR H 3.870 . 3.870 2.865 2.865 2.865 . 0 0 "[ ]" 1
31 2 12 THR H 2 13 ALA H 3.840 . 3.840 2.560 2.560 2.560 . 0 0 "[ ]" 1
32 2 12 THR HG1 2 13 ALA H 3.820 . 3.820 2.941 2.941 2.941 . 0 0 "[ ]" 1
33 2 10 ASN HA 2 13 ALA H 4.310 . 4.310 3.392 3.392 3.392 . 0 0 "[ ]" 1
34 2 11 ALA HA 2 13 ALA H 4.520 . 4.520 4.562 4.562 4.562 0.042 1 0 "[ ]" 1
35 2 12 THR HB 2 13 ALA H 4.700 . 4.700 3.648 3.648 3.648 . 0 0 "[ ]" 1
36 2 11 ALA MB 2 13 ALA H 4.830 . 4.830 4.390 4.390 4.390 . 0 0 "[ ]" 1
37 2 12 THR MG 2 13 ALA H 4.520 . 4.520 3.922 3.922 3.922 . 0 0 "[ ]" 1
38 2 13 ALA H 2 13 ALA MB 3.340 . 3.340 2.171 2.171 2.171 . 0 0 "[ ]" 1
39 2 7 GLN H 2 8 ALA MB 5.170 . 5.170 4.659 4.659 4.659 . 0 0 "[ ]" 1
40 2 4 LYS HA 2 7 GLN H 4.230 . 4.230 3.390 3.390 3.390 . 0 0 "[ ]" 1
41 2 3 SER HA 2 7 GLN H 5.160 . 5.160 4.328 4.328 4.328 . 0 0 "[ ]" 1
42 2 7 GLN H 2 8 ALA H 3.870 . 3.870 3.102 3.102 3.102 . 0 0 "[ ]" 1
43 2 6 LYS H 2 7 GLN H 3.430 . 3.430 2.707 2.707 2.707 . 0 0 "[ ]" 1
44 2 4 LYS H 2 5 TRP H 3.440 . 3.440 2.701 2.701 2.701 . 0 0 "[ ]" 1
45 2 5 TRP H 2 5 TRP HD1 4.150 . 4.150 2.812 2.812 2.812 . 0 0 "[ ]" 1
46 2 3 SER HA 2 6 LYS H 4.350 . 4.350 3.497 3.497 3.497 . 0 0 "[ ]" 1
47 2 1 ALA HA 2 5 TRP H 5.500 . 5.500 4.779 4.779 4.779 . 0 0 "[ ]" 1
48 2 5 TRP HB2 2 6 LYS H 4.030 . 4.030 2.659 2.659 2.659 . 0 0 "[ ]" 1
49 2 5 TRP H 2 5 TRP HB2 3.750 . 3.750 2.254 2.254 2.254 . 0 0 "[ ]" 1
50 2 5 TRP HB3 2 6 LYS H 4.770 . 4.770 3.293 3.293 3.293 . 0 0 "[ ]" 1
51 2 5 TRP H 2 5 TRP HB3 4.100 . 4.100 3.533 3.533 3.533 . 0 0 "[ ]" 1
52 2 2 LYS HA 2 6 LYS H 4.310 . 4.310 4.370 4.370 4.370 0.060 1 0 "[ ]" 1
53 2 3 SER H 2 6 LYS H 5.130 . 5.130 4.903 4.903 4.903 . 0 0 "[ ]" 1
54 2 4 LYS H 2 6 LYS H 5.440 . 5.440 4.284 4.284 4.284 . 0 0 "[ ]" 1
55 2 14 VAL HA 2 17 HIS H 4.690 . 4.690 3.349 3.349 3.349 . 0 0 "[ ]" 1
56 2 15 VAL MG1 2 17 HIS H 5.500 . 5.500 4.724 4.724 4.724 . 0 0 "[ ]" 1
57 2 3 SER H 2 5 TRP HD1 5.500 . 5.500 5.055 5.055 5.055 . 0 0 "[ ]" 1
58 2 4 LYS H 2 5 TRP HD1 5.500 . 5.500 4.561 4.561 4.561 . 0 0 "[ ]" 1
59 2 1 ALA MB 2 3 SER H 4.530 . 4.530 4.293 4.293 4.293 . 0 0 "[ ]" 1
60 2 15 VAL MG1 2 16 ARG H 4.500 . 4.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
61 2 15 VAL MG2 2 16 ARG H 4.310 . 4.310 3.942 3.942 3.942 . 0 0 "[ ]" 1
62 2 15 VAL HB 2 16 ARG H 4.060 . 4.060 2.505 2.505 2.505 . 0 0 "[ ]" 1
63 2 12 THR HA 2 16 ARG H 4.890 . 4.890 4.203 4.203 4.203 . 0 0 "[ ]" 1
64 2 13 ALA HA 2 16 ARG H 4.780 . 4.780 3.776 3.776 3.776 . 0 0 "[ ]" 1
65 2 12 THR HB 2 16 ARG H 5.500 . 5.500 5.165 5.165 5.165 . 0 0 "[ ]" 1
66 2 16 ARG H 2 17 HIS HA 5.500 . 5.500 5.196 5.196 5.196 . 0 0 "[ ]" 1
67 2 15 VAL H 2 16 ARG H 3.850 . 3.850 2.774 2.774 2.774 . 0 0 "[ ]" 1
68 2 15 VAL H 2 15 VAL MG1 4.620 . 4.620 3.721 3.721 3.721 . 0 0 "[ ]" 1
69 2 12 THR H 2 13 ALA MB 4.700 . 4.700 4.200 4.200 4.200 . 0 0 "[ ]" 1
70 2 12 THR H 2 15 VAL MG2 4.940 . 4.940 4.481 4.481 4.481 . 0 0 "[ ]" 1
71 2 15 VAL H 2 15 VAL HB 3.320 . 3.320 2.337 2.337 2.337 . 0 0 "[ ]" 1
72 2 14 VAL HB 2 15 VAL H 4.290 . 4.290 3.864 3.864 3.864 . 0 0 "[ ]" 1
73 2 12 THR HA 2 15 VAL H 4.640 . 4.640 3.660 3.660 3.660 . 0 0 "[ ]" 1
74 2 11 ALA HA 2 15 VAL H 4.850 . 4.850 4.111 4.111 4.111 . 0 0 "[ ]" 1
75 2 15 VAL MG1 2 19 ARG H 4.760 . 4.760 4.175 4.175 4.175 . 0 0 "[ ]" 1
76 2 15 VAL H 2 15 VAL MG2 3.370 . 3.370 2.367 2.367 2.367 . 0 0 "[ ]" 1
77 2 8 ALA H 2 8 ALA MB 3.070 . 3.070 2.235 2.235 2.235 . 0 0 "[ ]" 1
78 2 15 VAL HA 2 19 ARG H 5.480 . 5.480 3.697 3.697 3.697 . 0 0 "[ ]" 1
79 2 4 LYS HA 2 8 ALA H 4.480 . 4.480 4.182 4.182 4.182 . 0 0 "[ ]" 1
80 2 5 TRP HA 2 8 ALA H 4.940 . 4.940 4.036 4.036 4.036 . 0 0 "[ ]" 1
81 2 12 THR H 2 12 THR HG1 3.890 . 3.890 2.040 2.040 2.040 . 0 0 "[ ]" 1
82 2 21 LEU H 2 22 GLN H 3.230 . 3.230 2.689 2.689 2.689 . 0 0 "[ ]" 1
83 2 18 MET HA 2 20 LYS H 5.500 . 5.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
84 2 12 THR H 2 12 THR MG 3.100 . 3.100 2.251 2.251 2.251 . 0 0 "[ ]" 1
85 2 21 LEU H 2 21 LEU HG 3.470 . 3.470 2.188 2.188 2.188 . 0 0 "[ ]" 1
86 2 11 ALA MB 2 12 THR H 3.320 . 3.320 2.347 2.347 2.347 . 0 0 "[ ]" 1
87 2 17 HIS HA 2 17 HIS HE1 4.940 . 4.940 4.921 4.921 4.921 . 0 0 "[ ]" 1
88 2 21 LEU HG 2 22 GLN H 4.880 . 4.880 4.477 4.477 4.477 . 0 0 "[ ]" 1
89 2 22 GLN H 2 22 GLN HB2 3.810 . 3.810 2.552 2.552 2.552 . 0 0 "[ ]" 1
90 2 22 GLN H 2 22 GLN HB3 3.810 . 3.810 3.589 3.589 3.589 . 0 0 "[ ]" 1
91 2 19 ARG HA 2 22 GLN H 4.730 . 4.730 3.613 3.613 3.613 . 0 0 "[ ]" 1
92 2 21 LEU MD1 2 22 GLN H 5.500 . 5.500 4.823 4.823 4.823 . 0 0 "[ ]" 1
93 2 21 LEU MD2 2 22 GLN H 5.500 . 5.500 4.776 4.776 4.776 . 0 0 "[ ]" 1
94 2 5 TRP HE3 2 8 ALA MB 4.590 . 4.590 4.472 4.472 4.472 . 0 0 "[ ]" 1
95 2 5 TRP HB3 2 5 TRP HE3 3.560 . 3.560 2.693 2.693 2.693 . 0 0 "[ ]" 1
96 2 5 TRP HA 2 5 TRP HE3 3.130 . 3.130 2.844 2.844 2.844 . 0 0 "[ ]" 1
97 2 9 PHE QE 2 13 ALA MB 4.160 . 4.160 3.561 3.561 3.561 . 0 0 "[ ]" 1
98 2 9 PHE HZ 2 13 ALA MB 4.410 . 4.410 3.821 3.821 3.821 . 0 0 "[ ]" 1
99 2 9 PHE HZ 2 10 ASN HA 5.500 . 5.500 5.653 5.653 5.653 0.153 1 0 "[ ]" 1
100 2 9 PHE HA 2 9 PHE QE 4.730 . 4.730 4.501 4.501 4.501 . 0 0 "[ ]" 1
101 2 9 PHE QE 2 10 ASN HA 4.670 . 4.670 4.407 4.407 4.407 . 0 0 "[ ]" 1
102 2 6 LYS HA 2 9 PHE QE 5.220 . 5.220 5.100 5.100 5.100 . 0 0 "[ ]" 1
103 2 5 TRP HB2 2 5 TRP HD1 3.070 . 3.070 2.497 2.497 2.497 . 0 0 "[ ]" 1
104 2 9 PHE QD 2 13 ALA MB 4.350 . 4.350 3.945 3.945 3.945 . 0 0 "[ ]" 1
105 2 9 PHE QD 2 12 THR MG 5.500 . 5.500 5.328 5.328 5.328 . 0 0 "[ ]" 1
106 2 1 ALA MB 2 5 TRP HD1 3.970 . 3.970 3.661 3.661 3.661 . 0 0 "[ ]" 1
107 2 8 ALA MB 2 9 PHE QD 5.430 . 5.430 5.224 5.224 5.224 . 0 0 "[ ]" 1
108 2 5 TRP HB3 2 5 TRP HD1 3.710 . 3.710 3.656 3.656 3.656 . 0 0 "[ ]" 1
109 2 1 ALA HA 2 5 TRP HD1 5.150 . 5.150 4.475 4.475 4.475 . 0 0 "[ ]" 1
110 2 6 LYS HA 2 9 PHE QD 3.760 . 3.760 2.859 2.859 2.859 . 0 0 "[ ]" 1
111 2 2 LYS HA 2 5 TRP HD1 3.090 . 3.090 2.322 2.322 2.322 . 0 0 "[ ]" 1
112 2 9 PHE HA 2 9 PHE QD 3.340 . 3.340 2.390 2.390 2.390 . 0 0 "[ ]" 1
113 2 9 PHE QD 2 10 ASN HA 4.180 . 4.180 3.682 3.682 3.682 . 0 0 "[ ]" 1
114 2 17 HIS HA 2 17 HIS HD2 5.020 . 5.020 4.617 4.617 4.617 . 0 0 "[ ]" 1
115 2 5 TRP HA 2 5 TRP HZ3 5.390 . 5.390 4.908 4.908 4.908 . 0 0 "[ ]" 1
116 2 14 VAL HA 2 17 HIS HD2 4.980 . 4.980 3.834 3.834 3.834 . 0 0 "[ ]" 1
117 2 17 HIS HD2 2 18 MET ME 5.400 . 5.400 4.949 4.949 4.949 . 0 0 "[ ]" 1
118 2 13 ALA MB 2 14 VAL HB 5.380 . 5.380 3.892 3.892 3.892 . 0 0 "[ ]" 1
119 2 14 VAL HB 2 15 VAL MG2 5.060 . 5.060 4.870 4.870 4.870 . 0 0 "[ ]" 1
120 2 11 ALA MB 2 14 VAL HB 5.500 . 5.500 5.631 5.631 5.631 0.131 1 0 "[ ]" 1
121 2 12 THR HA 2 15 VAL MG1 4.310 . 4.310 3.898 3.898 3.898 . 0 0 "[ ]" 1
122 2 12 THR HA 2 15 VAL MG2 3.690 . 3.690 3.055 3.055 3.055 . 0 0 "[ ]" 1
123 2 12 THR HA 2 12 THR MG 3.180 . 3.180 2.286 2.286 2.286 . 0 0 "[ ]" 1
124 2 11 ALA MB 2 12 THR HA 4.540 . 4.540 3.751 3.751 3.751 . 0 0 "[ ]" 1
125 2 12 THR HA 2 15 VAL HB 3.890 . 3.890 2.664 2.664 2.664 . 0 0 "[ ]" 1
126 2 11 ALA HA 2 14 VAL HB 5.120 . 5.120 4.332 4.332 4.332 . 0 0 "[ ]" 1
127 2 19 ARG HA 2 19 ARG HG3 3.950 . 3.950 3.679 3.679 3.679 . 0 0 "[ ]" 1
128 2 19 ARG HA 2 19 ARG HG2 3.950 . 3.950 3.732 3.732 3.732 . 0 0 "[ ]" 1
129 2 21 LEU HA 2 21 LEU HG 3.500 . 3.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
130 2 5 TRP HA 2 8 ALA MB 3.660 . 3.660 3.486 3.486 3.486 . 0 0 "[ ]" 1
131 2 11 ALA HA 2 15 VAL MG2 4.720 . 4.720 3.494 3.494 3.494 . 0 0 "[ ]" 1
132 2 10 ASN HA 2 13 ALA MB 3.500 . 3.500 2.249 2.249 2.249 . 0 0 "[ ]" 1
133 2 7 GLN HA 2 11 ALA MB 5.080 . 5.080 4.064 4.064 4.064 . 0 0 "[ ]" 1
134 2 16 ARG HA 2 19 ARG H 4.300 . 4.300 4.037 4.037 4.037 . 0 0 "[ ]" 1
135 2 17 HIS HA 2 20 LYS H 4.340 . 4.340 3.569 3.569 3.569 . 0 0 "[ ]" 1
136 2 2 LYS H 2 2 LYS QB 3.070 . 3.070 2.132 2.132 2.132 . 0 0 "[ ]" 1
137 2 2 LYS H 2 2 LYS QG 4.630 . 4.630 3.801 3.801 3.801 . 0 0 "[ ]" 1
138 2 2 LYS H 2 2 LYS QD 5.340 . 5.340 4.287 4.287 4.287 . 0 0 "[ ]" 1
139 2 2 LYS HA 2 2 LYS QG 3.540 . 3.540 2.357 2.357 2.357 . 0 0 "[ ]" 1
140 2 2 LYS HA 2 2 LYS QD 3.680 . 3.680 2.301 2.301 2.301 . 0 0 "[ ]" 1
141 2 2 LYS QB 2 3 SER H 3.960 . 3.960 2.731 2.731 2.731 . 0 0 "[ ]" 1
142 2 2 LYS QB 2 5 TRP HD1 5.030 . 5.030 4.460 4.460 4.460 . 0 0 "[ ]" 1
143 2 2 LYS QE 2 2 LYS QG 3.300 . 3.300 2.264 2.264 2.264 . 0 0 "[ ]" 1
144 2 2 LYS QG 2 5 TRP HD1 4.220 . 4.220 4.055 4.055 4.055 . 0 0 "[ ]" 1
145 2 2 LYS QG 2 6 LYS H 5.040 . 5.040 5.219 5.219 5.219 0.179 1 0 "[ ]" 1
146 2 2 LYS QD 2 2 LYS QE 2.200 . 2.200 2.029 2.029 2.029 . 0 0 "[ ]" 1
147 2 2 LYS QD 2 5 TRP H 5.340 . 5.340 3.804 3.804 3.804 . 0 0 "[ ]" 1
148 2 2 LYS QD 2 5 TRP HD1 4.550 . 4.550 3.722 3.722 3.722 . 0 0 "[ ]" 1
149 2 2 LYS QD 2 6 LYS H 4.490 . 4.490 3.169 3.169 3.169 . 0 0 "[ ]" 1
150 2 2 LYS QE 2 9 PHE QD 5.340 . 5.340 5.475 5.475 5.475 0.135 1 0 "[ ]" 1
151 2 3 SER H 2 3 SER QB 3.420 . 3.420 2.219 2.219 2.219 . 0 0 "[ ]" 1
152 2 3 SER HA 2 6 LYS QB 3.890 . 3.890 2.857 2.857 2.857 . 0 0 "[ ]" 1
153 2 3 SER QB 2 4 LYS H 3.650 . 3.650 2.589 2.589 2.589 . 0 0 "[ ]" 1
154 2 3 SER QB 2 4 LYS QD 4.670 . 4.670 3.999 3.999 3.999 . 0 0 "[ ]" 1
155 2 3 SER QB 2 5 TRP H 5.340 . 5.340 4.775 4.775 4.775 . 0 0 "[ ]" 1
156 2 4 LYS H 2 4 LYS QB 3.450 . 3.450 2.480 2.480 2.480 . 0 0 "[ ]" 1
157 2 4 LYS H 2 4 LYS QG 3.940 . 3.940 1.968 1.968 1.968 . 0 0 "[ ]" 1
158 2 4 LYS H 2 4 LYS QD 4.030 . 4.030 3.325 3.325 3.325 . 0 0 "[ ]" 1
159 2 4 LYS HA 2 4 LYS QG 3.440 . 3.440 2.877 2.877 2.877 . 0 0 "[ ]" 1
160 2 4 LYS HA 2 4 LYS QD 3.320 . 3.320 2.152 2.152 2.152 . 0 0 "[ ]" 1
161 2 4 LYS HA 2 7 GLN QB 3.900 . 3.900 2.660 2.660 2.660 . 0 0 "[ ]" 1
162 2 4 LYS HA 2 7 GLN QG 4.360 . 4.360 3.051 3.051 3.051 . 0 0 "[ ]" 1
163 2 4 LYS QB 2 5 TRP H 4.080 . 4.080 2.542 2.542 2.542 . 0 0 "[ ]" 1
164 2 4 LYS QE 2 4 LYS QG 3.200 . 3.200 2.252 2.252 2.252 . 0 0 "[ ]" 1
165 2 4 LYS QG 2 5 TRP H 5.340 . 5.340 3.942 3.942 3.942 . 0 0 "[ ]" 1
166 2 4 LYS QD 2 5 TRP H 5.340 . 5.340 4.798 4.798 4.798 . 0 0 "[ ]" 1
167 2 6 LYS H 2 6 LYS QB 3.340 . 3.340 2.356 2.356 2.356 . 0 0 "[ ]" 1
168 2 6 LYS H 2 6 LYS QD 4.710 . 4.710 3.844 3.844 3.844 . 0 0 "[ ]" 1
169 2 6 LYS HA 2 6 LYS QG 3.630 . 3.630 2.263 2.263 2.263 . 0 0 "[ ]" 1
170 2 6 LYS QB 2 7 GLN H 3.930 . 3.930 2.601 2.601 2.601 . 0 0 "[ ]" 1
171 2 6 LYS QB 2 9 PHE QD 5.340 . 5.340 4.325 4.325 4.325 . 0 0 "[ ]" 1
172 2 7 GLN H 2 7 GLN QB 3.320 . 3.320 2.379 2.379 2.379 . 0 0 "[ ]" 1
173 2 7 GLN H 2 7 GLN QG 4.490 . 4.490 2.220 2.220 2.220 . 0 0 "[ ]" 1
174 2 7 GLN HA 2 7 GLN QG 3.550 . 3.550 2.294 2.294 2.294 . 0 0 "[ ]" 1
175 2 7 GLN HA 2 10 ASN QD 4.750 . 4.750 4.045 4.045 4.045 . 0 0 "[ ]" 1
176 2 7 GLN QB 2 8 ALA H 3.500 . 3.500 2.046 2.046 2.046 . 0 0 "[ ]" 1
177 2 7 GLN QG 2 8 ALA H 4.610 . 4.610 3.968 3.968 3.968 . 0 0 "[ ]" 1
178 2 8 ALA H 2 9 PHE QB 5.340 . 5.340 4.474 4.474 4.474 . 0 0 "[ ]" 1
179 2 9 PHE H 2 9 PHE QB 3.190 . 3.190 2.240 2.240 2.240 . 0 0 "[ ]" 1
180 2 9 PHE QB 2 10 ASN H 3.660 . 3.660 2.329 2.329 2.329 . 0 0 "[ ]" 1
181 2 9 PHE QD 2 10 ASN QB 5.340 . 5.340 4.332 4.332 4.332 . 0 0 "[ ]" 1
182 2 10 ASN H 2 10 ASN QB 3.600 . 3.600 2.393 2.393 2.393 . 0 0 "[ ]" 1
183 2 10 ASN H 2 10 ASN QD 5.340 . 5.340 3.730 3.730 3.730 . 0 0 "[ ]" 1
184 2 10 ASN HA 2 14 VAL QG 5.400 . 5.400 4.249 4.249 4.249 . 0 0 "[ ]" 1
185 2 10 ASN QB 2 11 ALA H 4.390 . 4.390 2.577 2.577 2.577 . 0 0 "[ ]" 1
186 2 10 ASN QB 2 11 ALA HA 4.800 . 4.800 3.851 3.851 3.851 . 0 0 "[ ]" 1
187 2 10 ASN QD 2 14 VAL QG 5.270 . 5.270 5.430 5.430 5.430 0.160 1 0 "[ ]" 1
188 2 11 ALA H 2 14 VAL QG 5.440 . 5.440 4.079 4.079 4.079 . 0 0 "[ ]" 1
189 2 11 ALA HA 2 14 VAL QG 4.000 . 4.000 2.303 2.303 2.303 . 0 0 "[ ]" 1
190 2 13 ALA H 2 14 VAL QG 5.260 . 5.260 3.838 3.838 3.838 . 0 0 "[ ]" 1
191 2 14 VAL H 2 14 VAL QG 3.240 . 3.240 2.120 2.120 2.120 . 0 0 "[ ]" 1
192 2 14 VAL QG 2 15 VAL H 3.880 . 3.880 1.950 1.950 1.950 . 0 0 "[ ]" 1
193 2 14 VAL QG 2 15 VAL MG2 3.810 . 3.810 2.255 2.255 2.255 . 0 0 "[ ]" 1
194 2 14 VAL QG 2 17 HIS H 5.440 . 5.440 4.140 4.140 4.140 . 0 0 "[ ]" 1
195 2 14 VAL QG 2 17 HIS HD2 4.110 . 4.110 3.329 3.329 3.329 . 0 0 "[ ]" 1
196 2 14 VAL QG 2 18 MET H 5.440 . 5.440 3.264 3.264 3.264 . 0 0 "[ ]" 1
197 2 16 ARG H 2 16 ARG QB 3.290 . 3.290 2.566 2.566 2.566 . 0 0 "[ ]" 1
198 2 16 ARG H 2 16 ARG QG 4.630 . 4.630 1.943 1.943 1.943 . 0 0 "[ ]" 1
199 2 16 ARG HA 2 16 ARG QG 3.450 . 3.450 3.295 3.295 3.295 . 0 0 "[ ]" 1
200 2 16 ARG HA 2 19 ARG QB 4.360 . 4.360 3.890 3.890 3.890 . 0 0 "[ ]" 1
201 2 16 ARG QB 2 17 HIS H 3.770 . 3.770 3.480 3.480 3.480 . 0 0 "[ ]" 1
202 2 16 ARG QD 2 16 ARG QG 2.350 . 2.350 2.010 2.010 2.010 . 0 0 "[ ]" 1
203 2 17 HIS H 2 17 HIS QB 3.310 . 3.310 2.216 2.216 2.216 . 0 0 "[ ]" 1
204 2 17 HIS QB 2 17 HIS HD2 3.370 . 3.370 2.699 2.699 2.699 . 0 0 "[ ]" 1
205 2 17 HIS QB 2 18 MET H 4.200 . 4.200 2.350 2.350 2.350 . 0 0 "[ ]" 1
206 2 17 HIS HD2 2 18 MET QG 4.240 . 4.240 2.501 2.501 2.501 . 0 0 "[ ]" 1
207 2 17 HIS HD2 2 21 LEU QD 3.880 . 3.880 3.172 3.172 3.172 . 0 0 "[ ]" 1
208 2 18 MET H 2 18 MET QB 3.480 . 3.480 2.224 2.224 2.224 . 0 0 "[ ]" 1
209 2 18 MET H 2 18 MET QG 3.580 . 3.580 2.471 2.471 2.471 . 0 0 "[ ]" 1
210 2 18 MET H 2 19 ARG QG 5.340 . 5.340 4.326 4.326 4.326 . 0 0 "[ ]" 1
211 2 19 ARG H 2 19 ARG QB 2.970 . 2.970 2.313 2.313 2.313 . 0 0 "[ ]" 1
212 2 19 ARG H 2 19 ARG QG 3.480 . 3.480 2.423 2.423 2.423 . 0 0 "[ ]" 1
213 2 19 ARG H 2 19 ARG QD 5.340 . 5.340 3.677 3.677 3.677 . 0 0 "[ ]" 1
214 2 19 ARG HA 2 22 GLN QG 4.890 . 4.890 2.590 2.590 2.590 . 0 0 "[ ]" 1
215 2 19 ARG QB 2 19 ARG QD 3.340 . 3.340 2.349 2.349 2.349 . 0 0 "[ ]" 1
216 2 20 LYS H 2 20 LYS QB 3.020 . 3.020 2.258 2.258 2.258 . 0 0 "[ ]" 1
217 2 20 LYS H 2 20 LYS QG 4.890 . 4.890 4.028 4.028 4.028 . 0 0 "[ ]" 1
218 2 20 LYS HA 2 20 LYS QG 3.240 . 3.240 3.016 3.016 3.016 . 0 0 "[ ]" 1
219 2 20 LYS HA 2 20 LYS QD 3.510 . 3.510 2.121 2.121 2.121 . 0 0 "[ ]" 1
220 2 20 LYS QB 2 20 LYS QE 4.370 . 4.370 3.582 3.582 3.582 . 0 0 "[ ]" 1
221 2 20 LYS QB 2 22 GLN H 5.340 . 5.340 4.495 4.495 4.495 . 0 0 "[ ]" 1
222 2 20 LYS QE 2 20 LYS QG 3.310 . 3.310 2.246 2.246 2.246 . 0 0 "[ ]" 1
223 2 20 LYS QG 2 21 LEU H 5.340 . 5.340 3.456 3.456 3.456 . 0 0 "[ ]" 1
224 2 20 LYS QG 2 22 GLN H 5.340 . 5.340 4.790 4.790 4.790 . 0 0 "[ ]" 1
225 2 20 LYS QD 2 20 LYS QE 2.350 . 2.350 2.024 2.024 2.024 . 0 0 "[ ]" 1
226 2 21 LEU H 2 21 LEU QB 3.210 . 3.210 2.389 2.389 2.389 . 0 0 "[ ]" 1
227 2 21 LEU H 2 21 LEU QD 3.380 . 3.380 3.076 3.076 3.076 . 0 0 "[ ]" 1
228 2 21 LEU HA 2 21 LEU QD 3.020 . 3.020 2.135 2.135 2.135 . 0 0 "[ ]" 1
229 2 21 LEU QB 2 21 LEU QD 2.820 . 2.820 1.921 1.921 1.921 . 0 0 "[ ]" 1
230 2 21 LEU QB 2 22 GLN HA 5.340 . 5.340 3.970 3.970 3.970 . 0 0 "[ ]" 1
231 2 22 GLN H 2 22 GLN QG 3.880 . 3.880 1.969 1.969 1.969 . 0 0 "[ ]" 1
232 2 22 GLN H 2 22 GLN QE 5.080 . 5.080 4.377 4.377 4.377 . 0 0 "[ ]" 1
233 2 22 GLN HA 2 22 GLN QG 3.590 . 3.590 2.435 2.435 2.435 . 0 0 "[ ]" 1
234 2 22 GLN QB 2 22 GLN QG 2.340 . 2.340 2.105 2.105 2.105 . 0 0 "[ ]" 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 24
_Distance_constraint_stats_list.Viol_count 24
_Distance_constraint_stats_list.Viol_total 2.465
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0426
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1027
_Distance_constraint_stats_list.Viol_average_violations_only 0.1027
_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 20 ASP 0.103 0.103 1 0 "[ ]"
1 22 ASP 0.059 0.059 1 0 "[ ]"
1 24 ASP 0.096 0.096 1 0 "[ ]"
1 26 THR 0.075 0.075 1 0 "[ ]"
1 31 GLU 0.164 0.096 1 0 "[ ]"
1 56 ASP 0.262 0.262 1 0 "[ ]"
1 58 ASP 0.112 0.112 1 0 "[ ]"
1 60 ASN 0.094 0.094 1 0 "[ ]"
1 62 THR 0.070 0.070 1 0 "[ ]"
1 67 GLU 0.156 0.079 1 0 "[ ]"
1 93 ASP 0.169 0.169 1 0 "[ ]"
1 95 ASP 0.122 0.122 1 0 "[ ]"
1 97 ASN 0.106 0.106 1 0 "[ ]"
1 99 TYR 0.046 0.046 1 0 "[ ]"
1 104 GLU 0.184 0.103 1 0 "[ ]"
1 129 ASP 0.094 0.094 1 0 "[ ]"
1 131 ASP 0.114 0.114 1 0 "[ ]"
1 133 ASP 0.111 0.111 1 0 "[ ]"
1 135 GLN 0.102 0.102 1 0 "[ ]"
1 140 GLU 0.226 0.119 1 0 "[ ]"
3 1 CA 0.497 0.103 1 0 "[ ]"
4 1 CA 0.694 0.262 1 0 "[ ]"
5 1 CA 0.626 0.169 1 0 "[ ]"
6 1 CA 0.647 0.119 1 0 "[ ]"
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 20 ASP OD2 3 1 CA CA 2.500 . 2.500 2.603 2.603 2.603 0.103 1 0 "[ ]" 2
2 1 22 ASP OD1 3 1 CA CA 2.500 . 2.500 2.559 2.559 2.559 0.059 1 0 "[ ]" 2
3 1 24 ASP OD2 3 1 CA CA 2.500 . 2.500 2.596 2.596 2.596 0.096 1 0 "[ ]" 2
4 1 26 THR O 3 1 CA CA 2.500 . 2.500 2.575 2.575 2.575 0.075 1 0 "[ ]" 2
5 1 31 GLU OE1 3 1 CA CA 2.500 . 2.500 2.568 2.568 2.568 0.068 1 0 "[ ]" 2
6 1 31 GLU OE2 3 1 CA CA 2.500 . 2.500 2.596 2.596 2.596 0.096 1 0 "[ ]" 2
7 1 56 ASP OD2 4 1 CA CA 2.500 . 2.500 2.762 2.762 2.762 0.262 1 0 "[ ]" 2
8 1 58 ASP OD2 4 1 CA CA 2.500 . 2.500 2.612 2.612 2.612 0.112 1 0 "[ ]" 2
9 1 60 ASN OD1 4 1 CA CA 2.500 . 2.500 2.594 2.594 2.594 0.094 1 0 "[ ]" 2
10 1 62 THR O 4 1 CA CA 2.500 . 2.500 2.570 2.570 2.570 0.070 1 0 "[ ]" 2
11 1 67 GLU OE1 4 1 CA CA 2.500 . 2.500 2.579 2.579 2.579 0.079 1 0 "[ ]" 2
12 1 67 GLU OE2 4 1 CA CA 2.500 . 2.500 2.577 2.577 2.577 0.077 1 0 "[ ]" 2
13 1 93 ASP OD2 5 1 CA CA 2.500 . 2.500 2.669 2.669 2.669 0.169 1 0 "[ ]" 2
14 1 95 ASP OD2 5 1 CA CA 2.500 . 2.500 2.622 2.622 2.622 0.122 1 0 "[ ]" 2
15 1 97 ASN OD1 5 1 CA CA 2.500 . 2.500 2.606 2.606 2.606 0.106 1 0 "[ ]" 2
16 1 99 TYR O 5 1 CA CA 2.500 . 2.500 2.546 2.546 2.546 0.046 1 0 "[ ]" 2
17 1 104 GLU OE1 5 1 CA CA 2.500 . 2.500 2.581 2.581 2.581 0.081 1 0 "[ ]" 2
18 1 104 GLU OE2 5 1 CA CA 2.500 . 2.500 2.603 2.603 2.603 0.103 1 0 "[ ]" 2
19 1 129 ASP OD1 6 1 CA CA 2.500 . 2.500 2.594 2.594 2.594 0.094 1 0 "[ ]" 2
20 1 131 ASP OD2 6 1 CA CA 2.500 . 2.500 2.614 2.614 2.614 0.114 1 0 "[ ]" 2
21 1 133 ASP OD2 6 1 CA CA 2.500 . 2.500 2.611 2.611 2.611 0.111 1 0 "[ ]" 2
22 1 135 GLN O 6 1 CA CA 2.500 . 2.500 2.602 2.602 2.602 0.102 1 0 "[ ]" 2
23 1 140 GLU OE1 6 1 CA CA 2.500 . 2.500 2.619 2.619 2.619 0.119 1 0 "[ ]" 2
24 1 140 GLU OE2 6 1 CA CA 2.500 . 2.500 2.606 2.606 2.606 0.106 1 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 109
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 4.525
_Distance_constraint_stats_list.Viol_max 0.446
_Distance_constraint_stats_list.Viol_rms 0.1070
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0415
_Distance_constraint_stats_list.Viol_average_violations_only 0.2263
_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 36 MET 1.386 0.392 1 0 "[ ]"
1 51 MET 0.646 0.359 1 0 "[ ]"
1 71 MET 1.557 0.446 1 0 "[ ]"
1 72 MET 0.481 0.432 1 0 "[ ]"
1 76 MET 0.446 0.446 1 0 "[ ]"
1 109 MET 0.427 0.310 1 0 "[ ]"
1 124 MET 0.246 0.246 1 0 "[ ]"
1 144 MET 0.436 0.310 1 0 "[ ]"
1 145 MET 0.285 0.256 1 0 "[ ]"
2 1 ALA 0.000 0.000 . 0 "[ ]"
2 2 LYS 0.029 0.029 1 0 "[ ]"
2 4 LYS 0.000 0.000 . 0 "[ ]"
2 5 TRP 0.126 0.126 1 0 "[ ]"
2 6 LYS 0.000 0.000 . 0 "[ ]"
2 7 GLN 0.372 0.256 1 0 "[ ]"
2 8 ALA 0.000 0.000 . 0 "[ ]"
2 9 PHE 0.295 0.246 1 0 "[ ]"
2 10 ASN 0.742 0.393 1 0 "[ ]"
2 11 ALA 0.000 0.000 . 0 "[ ]"
2 14 VAL 0.000 0.000 . 0 "[ ]"
2 15 VAL 0.090 0.090 1 0 "[ ]"
2 16 ARG 0.432 0.432 1 0 "[ ]"
2 17 HIS 0.536 0.359 1 0 "[ ]"
2 18 MET 0.000 0.000 . 0 "[ ]"
2 19 ARG 0.466 0.315 1 0 "[ ]"
2 21 LEU 0.000 0.000 . 0 "[ ]"
2 22 GLN 0.050 0.050 1 0 "[ ]"
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 36 MET HA 1 36 MET ME 6.000 . 6.000 4.218 4.218 4.218 . 0 0 "[ ]" 3
2 1 124 MET ME 1 145 MET ME 6.000 . 6.000 4.535 4.535 4.535 . 0 0 "[ ]" 3
3 1 145 MET ME 2 5 TRP HZ3 6.000 . 6.000 4.263 4.263 4.263 . 0 0 "[ ]" 3
4 1 145 MET ME 2 5 TRP HH2 6.000 . 6.000 5.913 5.913 5.913 . 0 0 "[ ]" 3
5 1 145 MET ME 2 9 PHE QE 6.000 . 6.000 4.063 4.063 4.063 . 0 0 "[ ]" 3
6 1 145 MET ME 2 5 TRP HE3 6.000 . 6.000 2.715 2.715 2.715 . 0 0 "[ ]" 3
7 1 51 MET ME 2 18 MET QG 6.000 . 6.000 2.864 2.864 2.864 . 0 0 "[ ]" 3
8 1 51 MET ME 2 15 VAL HA 6.000 . 6.000 2.154 2.154 2.154 . 0 0 "[ ]" 3
9 1 71 MET ME 2 15 VAL HA 6.000 . 6.000 4.632 4.632 4.632 . 0 0 "[ ]" 3
10 1 72 MET ME 2 15 VAL HA 6.000 . 6.000 5.906 5.906 5.906 . 0 0 "[ ]" 3
11 1 109 MET ME 1 124 MET ME 6.000 . 6.000 2.076 2.076 2.076 . 0 0 "[ ]" 3
12 1 124 MET ME 1 144 MET ME 6.000 . 6.000 4.095 4.095 4.095 . 0 0 "[ ]" 3
13 1 144 MET ME 2 5 TRP HZ3 6.000 . 6.000 6.126 6.126 6.126 0.126 1 0 "[ ]" 3
14 1 144 MET ME 2 5 TRP HE3 6.000 . 6.000 5.081 5.081 5.081 . 0 0 "[ ]" 3
15 1 124 MET ME 2 5 TRP HZ3 6.000 . 6.000 3.576 3.576 3.576 . 0 0 "[ ]" 3
16 1 124 MET ME 2 5 TRP HH2 6.000 . 6.000 3.659 3.659 3.659 . 0 0 "[ ]" 3
17 1 124 MET ME 2 5 TRP HE3 6.000 . 6.000 3.130 3.130 3.130 . 0 0 "[ ]" 3
18 1 36 MET ME 1 71 MET ME 6.000 . 6.000 2.453 2.453 2.453 . 0 0 "[ ]" 3
19 1 36 MET ME 2 18 MET HG2 6.000 . 6.000 5.095 5.095 5.095 . 0 0 "[ ]" 3
20 1 36 MET ME 2 15 VAL HA 6.000 . 6.000 2.427 2.427 2.427 . 0 0 "[ ]" 3
21 1 36 MET ME 1 51 MET HA 6.000 . 6.000 6.002 6.002 6.002 0.002 1 0 "[ ]" 3
22 1 145 MET ME 2 6 LYS QB 6.000 . 6.000 4.459 4.459 4.459 . 0 0 "[ ]" 3
23 1 145 MET ME 2 7 GLN QB 6.000 . 6.000 6.256 6.256 6.256 0.256 1 0 "[ ]" 3
24 1 51 MET ME 1 71 MET ME 6.000 . 6.000 3.540 3.540 3.540 . 0 0 "[ ]" 3
25 1 51 MET ME 2 22 GLN QB 6.000 . 6.000 6.050 6.050 6.050 0.050 1 0 "[ ]" 3
26 1 51 MET ME 2 22 GLN QG 6.000 . 6.000 4.809 4.809 4.809 . 0 0 "[ ]" 3
27 1 71 MET ME 1 76 MET ME 6.000 . 6.000 6.446 6.446 6.446 0.446 1 0 "[ ]" 3
28 1 71 MET ME 2 15 VAL HB 6.000 . 6.000 6.090 6.090 6.090 0.090 1 0 "[ ]" 3
29 1 71 MET ME 2 18 MET HG2 6.000 . 6.000 4.516 4.516 4.516 . 0 0 "[ ]" 3
30 1 71 MET ME 2 14 VAL HA 6.000 . 6.000 4.630 4.630 4.630 . 0 0 "[ ]" 3
31 1 71 MET ME 2 10 ASN HA 6.000 . 6.000 6.393 6.393 6.393 0.393 1 0 "[ ]" 3
32 1 72 MET ME 2 14 VAL QG 6.000 . 6.000 1.833 1.833 1.833 . 0 0 "[ ]" 3
33 1 51 MET ME 1 72 MET ME 6.000 . 6.000 5.372 5.372 5.372 . 0 0 "[ ]" 3
34 1 72 MET ME 1 76 MET ME 6.000 . 6.000 3.943 3.943 3.943 . 0 0 "[ ]" 3
35 1 72 MET ME 2 10 ASN QB 6.000 . 6.000 2.043 2.043 2.043 . 0 0 "[ ]" 3
36 1 72 MET ME 2 10 ASN HA 6.000 . 6.000 3.493 3.493 3.493 . 0 0 "[ ]" 3
37 1 72 MET ME 2 9 PHE QD 6.000 . 6.000 6.049 6.049 6.049 0.049 1 0 "[ ]" 3
38 1 109 MET ME 1 144 MET ME 6.000 . 6.000 6.310 6.310 6.310 0.310 1 0 "[ ]" 3
39 1 109 MET ME 2 7 GLN QB 6.000 . 6.000 3.494 3.494 3.494 . 0 0 "[ ]" 3
40 1 109 MET ME 2 7 GLN QG 6.000 . 6.000 5.081 5.081 5.081 . 0 0 "[ ]" 3
41 1 144 MET ME 2 5 TRP HH2 6.000 . 6.000 5.776 5.776 5.776 . 0 0 "[ ]" 3
42 1 124 MET ME 2 4 LYS QD 6.000 . 6.000 4.846 4.846 4.846 . 0 0 "[ ]" 3
43 1 124 MET ME 2 4 LYS QE 6.000 . 6.000 5.972 5.972 5.972 . 0 0 "[ ]" 3
44 1 124 MET ME 2 5 TRP HB2 6.000 . 6.000 3.723 3.723 3.723 . 0 0 "[ ]" 3
45 1 124 MET ME 2 5 TRP HB3 6.000 . 6.000 3.796 3.796 3.796 . 0 0 "[ ]" 3
46 1 124 MET ME 2 9 PHE HA 6.000 . 6.000 6.246 6.246 6.246 0.246 1 0 "[ ]" 3
47 1 36 MET ME 1 71 MET HA 6.000 . 6.000 6.392 6.392 6.392 0.392 1 0 "[ ]" 3
48 1 51 MET ME 1 71 MET HA 6.000 . 6.000 6.235 6.235 6.235 0.235 1 0 "[ ]" 3
49 1 36 MET ME 2 14 VAL QG 6.000 . 6.000 2.338 2.338 2.338 . 0 0 "[ ]" 3
50 1 36 MET ME 2 15 VAL MG1 6.000 . 6.000 3.468 3.468 3.468 . 0 0 "[ ]" 3
51 1 36 MET ME 2 19 ARG QG 6.000 . 6.000 6.152 6.152 6.152 0.152 1 0 "[ ]" 3
52 1 36 MET ME 2 10 ASN QB 6.000 . 6.000 6.349 6.349 6.349 0.349 1 0 "[ ]" 3
53 1 36 MET ME 2 14 VAL HA 6.000 . 6.000 5.330 5.330 5.330 . 0 0 "[ ]" 3
54 1 36 MET ME 2 19 ARG HA 6.000 . 6.000 6.315 6.315 6.315 0.315 1 0 "[ ]" 3
55 1 36 MET ME 2 11 ALA HA 6.000 . 6.000 4.122 4.122 4.122 . 0 0 "[ ]" 3
56 1 145 MET ME 2 9 PHE QB 6.000 . 6.000 2.014 2.014 2.014 . 0 0 "[ ]" 3
57 1 145 MET ME 2 9 PHE HA 6.000 . 6.000 4.072 4.072 4.072 . 0 0 "[ ]" 3
58 1 145 MET ME 2 10 ASN HA 6.000 . 6.000 5.993 5.993 5.993 . 0 0 "[ ]" 3
59 1 145 MET ME 2 9 PHE QD 6.000 . 6.000 2.914 2.914 2.914 . 0 0 "[ ]" 3
60 1 51 MET ME 2 15 VAL MG2 6.000 . 6.000 2.919 2.919 2.919 . 0 0 "[ ]" 3
61 1 51 MET ME 2 19 ARG HA 6.000 . 6.000 3.536 3.536 3.536 . 0 0 "[ ]" 3
62 1 71 MET ME 2 14 VAL MG1 6.000 . 6.000 1.964 1.964 1.964 . 0 0 "[ ]" 3
63 1 71 MET ME 2 14 VAL MG2 6.000 . 6.000 1.894 1.894 1.894 . 0 0 "[ ]" 3
64 1 71 MET ME 2 18 MET ME 6.000 . 6.000 4.364 4.364 4.364 . 0 0 "[ ]" 3
65 1 71 MET ME 2 17 HIS QB 6.000 . 6.000 5.978 5.978 5.978 . 0 0 "[ ]" 3
66 1 71 MET ME 1 72 MET HA 6.000 . 6.000 3.142 3.142 3.142 . 0 0 "[ ]" 3
67 1 71 MET ME 2 11 ALA HA 6.000 . 6.000 4.093 4.093 4.093 . 0 0 "[ ]" 3
68 1 72 MET ME 2 14 VAL MG1 6.000 . 6.000 1.965 1.965 1.965 . 0 0 "[ ]" 3
69 1 72 MET ME 2 14 VAL MG2 6.000 . 6.000 2.191 2.191 2.191 . 0 0 "[ ]" 3
70 1 72 MET ME 2 14 VAL HB 6.000 . 6.000 2.017 2.017 2.017 . 0 0 "[ ]" 3
71 1 72 MET ME 2 14 VAL HA 6.000 . 6.000 3.991 3.991 3.991 . 0 0 "[ ]" 3
72 1 72 MET ME 2 11 ALA HA 6.000 . 6.000 3.048 3.048 3.048 . 0 0 "[ ]" 3
73 1 109 MET ME 2 4 LYS QE 6.000 . 6.000 4.117 4.117 4.117 . 0 0 "[ ]" 3
74 1 109 MET ME 2 8 ALA HA 6.000 . 6.000 4.932 4.932 4.932 . 0 0 "[ ]" 3
75 1 109 MET ME 2 7 GLN HA 6.000 . 6.000 6.116 6.116 6.116 0.116 1 0 "[ ]" 3
76 1 144 MET ME 2 2 LYS QD 6.000 . 6.000 3.210 3.210 3.210 . 0 0 "[ ]" 3
77 1 144 MET ME 2 5 TRP HB2 6.000 . 6.000 3.222 3.222 3.222 . 0 0 "[ ]" 3
78 1 144 MET ME 2 5 TRP HB3 6.000 . 6.000 3.921 3.921 3.921 . 0 0 "[ ]" 3
79 1 144 MET ME 2 5 TRP HZ2 6.000 . 6.000 4.149 4.149 4.149 . 0 0 "[ ]" 3
80 1 124 MET ME 2 4 LYS HG3 6.000 . 6.000 4.810 4.810 4.810 . 0 0 "[ ]" 3
81 1 124 MET ME 2 4 LYS HG2 6.000 . 6.000 5.205 5.205 5.205 . 0 0 "[ ]" 3
82 1 124 MET ME 2 4 LYS QB 6.000 . 6.000 2.800 2.800 2.800 . 0 0 "[ ]" 3
83 1 124 MET ME 2 1 ALA HA 6.000 . 6.000 5.259 5.259 5.259 . 0 0 "[ ]" 3
84 1 124 MET ME 2 5 TRP HA 6.000 . 6.000 2.256 2.256 2.256 . 0 0 "[ ]" 3
85 1 124 MET ME 2 5 TRP HZ2 6.000 . 6.000 3.332 3.332 3.332 . 0 0 "[ ]" 3
86 1 36 MET ME 2 15 VAL MG2 6.000 . 6.000 1.958 1.958 1.958 . 0 0 "[ ]" 3
87 1 36 MET ME 2 18 MET ME 6.000 . 6.000 4.395 4.395 4.395 . 0 0 "[ ]" 3
88 1 36 MET ME 2 18 MET HG3 6.000 . 6.000 4.096 4.096 4.096 . 0 0 "[ ]" 3
89 1 36 MET ME 2 17 HIS QB 6.000 . 6.000 6.177 6.177 6.177 0.177 1 0 "[ ]" 3
90 1 36 MET ME 2 19 ARG QD 6.000 . 6.000 5.612 5.612 5.612 . 0 0 "[ ]" 3
91 1 145 MET ME 2 6 LYS QG 6.000 . 6.000 3.345 3.345 3.345 . 0 0 "[ ]" 3
92 1 145 MET ME 2 2 LYS QD 6.000 . 6.000 3.674 3.674 3.674 . 0 0 "[ ]" 3
93 1 145 MET ME 2 2 LYS QB 6.000 . 6.000 6.029 6.029 6.029 0.029 1 0 "[ ]" 3
94 1 145 MET ME 2 5 TRP QB 6.000 . 6.000 2.083 2.083 2.083 . 0 0 "[ ]" 3
95 1 145 MET ME 2 6 LYS HA 6.000 . 6.000 2.800 2.800 2.800 . 0 0 "[ ]" 3
96 1 51 MET ME 2 14 VAL QG 6.000 . 6.000 2.775 2.775 2.775 . 0 0 "[ ]" 3
97 1 51 MET ME 2 15 VAL MG1 6.000 . 6.000 2.940 2.940 2.940 . 0 0 "[ ]" 3
98 1 51 MET ME 2 21 LEU QB 6.000 . 6.000 5.875 5.875 5.875 . 0 0 "[ ]" 3
99 1 51 MET ME 2 17 HIS QB 6.000 . 6.000 5.245 5.245 5.245 . 0 0 "[ ]" 3
100 1 51 MET ME 2 19 ARG QD 6.000 . 6.000 4.270 4.270 4.270 . 0 0 "[ ]" 3
101 1 51 MET ME 2 17 HIS HA 6.000 . 6.000 6.359 6.359 6.359 0.359 1 0 "[ ]" 3
102 1 71 MET ME 2 14 VAL HB 6.000 . 6.000 3.373 3.373 3.373 . 0 0 "[ ]" 3
103 1 71 MET ME 2 18 MET HG3 6.000 . 6.000 3.577 3.577 3.577 . 0 0 "[ ]" 3
104 1 72 MET ME 2 16 ARG QG 6.000 . 6.000 6.432 6.432 6.432 0.432 1 0 "[ ]" 3
105 1 109 MET HA 1 109 MET ME 6.000 . 6.000 4.083 4.083 4.083 . 0 0 "[ ]" 3
106 1 144 MET ME 2 2 LYS QB 6.000 . 6.000 3.401 3.401 3.401 . 0 0 "[ ]" 3
107 1 144 MET ME 2 2 LYS HA 6.000 . 6.000 2.368 2.368 2.368 . 0 0 "[ ]" 3
108 1 144 MET ME 2 5 TRP HD1 6.000 . 6.000 2.140 2.140 2.140 . 0 0 "[ ]" 3
109 1 124 MET ME 2 5 TRP HD1 6.000 . 6.000 3.122 3.122 3.122 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 144
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 5.695
_Distance_constraint_stats_list.Viol_max 0.332
_Distance_constraint_stats_list.Viol_rms 0.0662
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0396
_Distance_constraint_stats_list.Viol_average_violations_only 0.0982
_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 6 GLU 0.238 0.193 1 0 "[ ]"
1 7 GLU 0.175 0.121 1 0 "[ ]"
1 8 GLN 0.098 0.068 1 0 "[ ]"
1 9 ILE 0.055 0.055 1 0 "[ ]"
1 10 ALA 0.392 0.193 1 0 "[ ]"
1 11 GLU 0.415 0.132 1 0 "[ ]"
1 12 PHE 0.098 0.068 1 0 "[ ]"
1 13 LYS 0.364 0.193 1 0 "[ ]"
1 14 GLU 0.301 0.114 1 0 "[ ]"
1 15 ALA 0.354 0.132 1 0 "[ ]"
1 16 PHE 0.000 0.000 . 0 "[ ]"
1 17 SER 0.309 0.193 1 0 "[ ]"
1 18 LEU 0.147 0.114 1 0 "[ ]"
1 19 PHE 0.114 0.114 1 0 "[ ]"
1 27 ILE 0.221 0.171 1 0 "[ ]"
1 29 THR 0.000 0.000 . 0 "[ ]"
1 30 LYS 0.000 0.000 . 0 "[ ]"
1 31 GLU 0.000 0.000 . 0 "[ ]"
1 32 LEU 0.023 0.023 1 0 "[ ]"
1 33 GLY 0.000 0.000 . 0 "[ ]"
1 34 THR 0.056 0.056 1 0 "[ ]"
1 35 VAL 0.000 0.000 . 0 "[ ]"
1 36 MET 0.023 0.023 1 0 "[ ]"
1 37 ARG 0.000 0.000 . 0 "[ ]"
1 38 SER 0.056 0.056 1 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 ALA 0.039 0.039 1 0 "[ ]"
1 47 GLU 0.051 0.051 1 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
1 49 GLN 0.000 0.000 . 0 "[ ]"
1 50 ASP 0.051 0.039 1 0 "[ ]"
1 51 MET 0.051 0.051 1 0 "[ ]"
1 52 ILE 0.000 0.000 . 0 "[ ]"
1 53 ASN 0.000 0.000 . 0 "[ ]"
1 54 GLU 0.012 0.012 1 0 "[ ]"
1 63 ILE 0.221 0.171 1 0 "[ ]"
1 65 PHE 0.308 0.191 1 0 "[ ]"
1 66 PRO 0.510 0.332 1 0 "[ ]"
1 67 GLU 0.136 0.106 1 0 "[ ]"
1 68 PHE 0.075 0.050 1 0 "[ ]"
1 69 LEU 0.308 0.191 1 0 "[ ]"
1 70 THR 0.510 0.332 1 0 "[ ]"
1 71 MET 0.713 0.312 1 0 "[ ]"
1 72 MET 0.075 0.050 1 0 "[ ]"
1 73 ALA 0.052 0.052 1 0 "[ ]"
1 74 ARG 0.000 0.000 . 0 "[ ]"
1 75 LYS 0.577 0.312 1 0 "[ ]"
1 76 MET 0.000 0.000 . 0 "[ ]"
1 77 LYS 0.052 0.052 1 0 "[ ]"
1 80 ASP 0.000 0.000 . 0 "[ ]"
1 81 SER 0.202 0.150 1 0 "[ ]"
1 82 GLU 0.167 0.114 1 0 "[ ]"
1 83 GLU 0.000 0.000 . 0 "[ ]"
1 84 GLU 0.000 0.000 . 0 "[ ]"
1 85 ILE 0.202 0.150 1 0 "[ ]"
1 86 ARG 0.449 0.203 1 0 "[ ]"
1 87 GLU 0.095 0.095 1 0 "[ ]"
1 88 ALA 0.000 0.000 . 0 "[ ]"
1 89 PHE 0.000 0.000 . 0 "[ ]"
1 90 ARG 0.282 0.203 1 0 "[ ]"
1 91 VAL 0.095 0.095 1 0 "[ ]"
1 92 PHE 0.000 0.000 . 0 "[ ]"
1 100 ILE 0.195 0.129 1 0 "[ ]"
1 102 ALA 0.000 0.000 . 0 "[ ]"
1 103 ALA 0.052 0.052 1 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 LEU 0.000 0.000 . 0 "[ ]"
1 106 ARG 0.000 0.000 . 0 "[ ]"
1 107 HIS 0.145 0.092 1 0 "[ ]"
1 108 VAL 0.000 0.000 . 0 "[ ]"
1 109 MET 0.000 0.000 . 0 "[ ]"
1 110 THR 0.000 0.000 . 0 "[ ]"
1 111 ASN 0.092 0.092 1 0 "[ ]"
1 118 ASP 0.000 0.000 . 0 "[ ]"
1 119 GLU 0.000 0.000 . 0 "[ ]"
1 120 GLU 0.000 0.000 . 0 "[ ]"
1 121 VAL 0.000 0.000 . 0 "[ ]"
1 122 ASP 0.000 0.000 . 0 "[ ]"
1 123 GLU 0.000 0.000 . 0 "[ ]"
1 124 MET 0.000 0.000 . 0 "[ ]"
1 125 ILE 0.000 0.000 . 0 "[ ]"
1 126 ARG 0.000 0.000 . 0 "[ ]"
1 127 GLU 0.000 0.000 . 0 "[ ]"
1 136 VAL 0.195 0.129 1 0 "[ ]"
1 138 TYR 0.146 0.094 1 0 "[ ]"
1 139 GLU 0.072 0.072 1 0 "[ ]"
1 140 GLU 0.000 0.000 . 0 "[ ]"
1 142 VAL 0.146 0.094 1 0 "[ ]"
1 143 GLN 0.072 0.072 1 0 "[ ]"
1 144 MET 0.000 0.000 . 0 "[ ]"
2 3 SER 0.001 0.001 1 0 "[ ]"
2 4 LYS 0.278 0.171 1 0 "[ ]"
2 5 TRP 0.000 0.000 . 0 "[ ]"
2 6 LYS 0.000 0.000 . 0 "[ ]"
2 7 GLN 0.001 0.001 1 0 "[ ]"
2 8 ALA 0.306 0.171 1 0 "[ ]"
2 9 PHE 0.000 0.000 . 0 "[ ]"
2 10 ASN 0.000 0.000 . 0 "[ ]"
2 11 ALA 0.174 0.147 1 0 "[ ]"
2 12 THR 0.282 0.148 1 0 "[ ]"
2 13 ALA 0.028 0.028 1 0 "[ ]"
2 14 VAL 0.000 0.000 . 0 "[ ]"
2 15 VAL 0.211 0.147 1 0 "[ ]"
2 16 ARG 0.253 0.148 1 0 "[ ]"
2 17 HIS 0.028 0.028 1 0 "[ ]"
2 18 MET 0.000 0.000 . 0 "[ ]"
2 19 ARG 0.037 0.037 1 0 "[ ]"
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 27 ILE H 1 63 ILE O 2.100 . 2.100 1.950 1.950 1.950 . 0 0 "[ ]" 4
2 1 27 ILE N 1 63 ILE O 3.100 . 3.100 2.840 2.840 2.840 . 0 0 "[ ]" 4
3 1 27 ILE O 1 63 ILE H 2.100 . 2.100 2.271 2.271 2.271 0.171 1 0 "[ ]" 4
4 1 27 ILE O 1 63 ILE N 3.100 . 3.100 3.150 3.150 3.150 0.050 1 0 "[ ]" 4
5 1 6 GLU O 1 10 ALA H 2.100 . 2.100 2.293 2.293 2.293 0.193 1 0 "[ ]" 4
6 1 6 GLU O 1 10 ALA N 3.100 . 3.100 3.145 3.145 3.145 0.045 1 0 "[ ]" 4
7 1 7 GLU O 1 11 GLU H 2.100 . 2.100 2.221 2.221 2.221 0.121 1 0 "[ ]" 4
8 1 7 GLU O 1 11 GLU N 3.100 . 3.100 3.154 3.154 3.154 0.054 1 0 "[ ]" 4
9 1 8 GLN O 1 12 PHE H 2.100 . 2.100 2.168 2.168 2.168 0.068 1 0 "[ ]" 4
10 1 8 GLN O 1 12 PHE N 3.100 . 3.100 3.131 3.131 3.131 0.031 1 0 "[ ]" 4
11 1 9 ILE O 1 13 LYS H 2.100 . 2.100 2.155 2.155 2.155 0.055 1 0 "[ ]" 4
12 1 9 ILE O 1 13 LYS N 3.100 . 3.100 2.897 2.897 2.897 . 0 0 "[ ]" 4
13 1 10 ALA O 1 14 GLU H 2.100 . 2.100 2.209 2.209 2.209 0.109 1 0 "[ ]" 4
14 1 10 ALA O 1 14 GLU N 3.100 . 3.100 3.146 3.146 3.146 0.046 1 0 "[ ]" 4
15 1 11 GLU O 1 15 ALA H 2.100 . 2.100 2.232 2.232 2.232 0.132 1 0 "[ ]" 4
16 1 11 GLU O 1 15 ALA N 3.100 . 3.100 3.208 3.208 3.208 0.108 1 0 "[ ]" 4
17 1 12 PHE O 1 16 PHE H 2.100 . 2.100 1.630 1.630 1.630 . 0 0 "[ ]" 4
18 1 12 PHE O 1 16 PHE N 3.100 . 3.100 2.486 2.486 2.486 . 0 0 "[ ]" 4
19 1 13 LYS O 1 17 SER H 2.100 . 2.100 2.293 2.293 2.293 0.193 1 0 "[ ]" 4
20 1 13 LYS O 1 17 SER N 3.100 . 3.100 3.216 3.216 3.216 0.116 1 0 "[ ]" 4
21 1 14 GLU O 1 18 LEU H 2.100 . 2.100 2.214 2.214 2.214 0.114 1 0 "[ ]" 4
22 1 14 GLU O 1 18 LEU N 3.100 . 3.100 3.133 3.133 3.133 0.033 1 0 "[ ]" 4
23 1 15 ALA O 1 19 PHE H 2.100 . 2.100 2.214 2.214 2.214 0.114 1 0 "[ ]" 4
24 1 15 ALA O 1 19 PHE N 3.100 . 3.100 2.911 2.911 2.911 . 0 0 "[ ]" 4
25 1 29 THR O 1 33 GLY H 2.100 . 2.100 1.923 1.923 1.923 . 0 0 "[ ]" 4
26 1 29 THR O 1 33 GLY N 3.100 . 3.100 2.807 2.807 2.807 . 0 0 "[ ]" 4
27 1 30 LYS O 1 34 THR H 2.100 . 2.100 1.826 1.826 1.826 . 0 0 "[ ]" 4
28 1 30 LYS O 1 34 THR N 3.100 . 3.100 2.723 2.723 2.723 . 0 0 "[ ]" 4
29 1 31 GLU O 1 35 VAL H 2.100 . 2.100 1.940 1.940 1.940 . 0 0 "[ ]" 4
30 1 31 GLU O 1 35 VAL N 3.100 . 3.100 2.921 2.921 2.921 . 0 0 "[ ]" 4
31 1 32 LEU O 1 36 MET H 2.100 . 2.100 2.123 2.123 2.123 0.023 1 0 "[ ]" 4
32 1 32 LEU O 1 36 MET N 3.100 . 3.100 3.025 3.025 3.025 . 0 0 "[ ]" 4
33 1 33 GLY O 1 37 ARG H 2.100 . 2.100 1.704 1.704 1.704 . 0 0 "[ ]" 4
34 1 33 GLY O 1 37 ARG N 3.100 . 3.100 2.665 2.665 2.665 . 0 0 "[ ]" 4
35 1 34 THR O 1 38 SER H 2.100 . 2.100 2.156 2.156 2.156 0.056 1 0 "[ ]" 4
36 1 34 THR O 1 38 SER N 3.100 . 3.100 2.977 2.977 2.977 . 0 0 "[ ]" 4
37 1 45 GLU O 1 49 GLN H 2.100 . 2.100 1.782 1.782 1.782 . 0 0 "[ ]" 4
38 1 45 GLU O 1 49 GLN N 3.100 . 3.100 2.759 2.759 2.759 . 0 0 "[ ]" 4
39 1 46 ALA O 1 50 ASP H 2.100 . 2.100 2.139 2.139 2.139 0.039 1 0 "[ ]" 4
40 1 46 ALA O 1 50 ASP N 3.100 . 3.100 3.076 3.076 3.076 . 0 0 "[ ]" 4
41 1 47 GLU O 1 51 MET H 2.100 . 2.100 2.151 2.151 2.151 0.051 1 0 "[ ]" 4
42 1 47 GLU O 1 51 MET N 3.100 . 3.100 3.014 3.014 3.014 . 0 0 "[ ]" 4
43 1 48 LEU O 1 52 ILE H 2.100 . 2.100 1.855 1.855 1.855 . 0 0 "[ ]" 4
44 1 48 LEU O 1 52 ILE N 3.100 . 3.100 2.808 2.808 2.808 . 0 0 "[ ]" 4
45 1 49 GLN O 1 53 ASN H 2.100 . 2.100 1.771 1.771 1.771 . 0 0 "[ ]" 4
46 1 49 GLN O 1 53 ASN N 3.100 . 3.100 2.732 2.732 2.732 . 0 0 "[ ]" 4
47 1 50 ASP O 1 54 GLU H 2.100 . 2.100 2.112 2.112 2.112 0.012 1 0 "[ ]" 4
48 1 50 ASP O 1 54 GLU N 3.100 . 3.100 2.945 2.945 2.945 . 0 0 "[ ]" 4
49 1 65 PHE O 1 69 LEU H 2.100 . 2.100 2.291 2.291 2.291 0.191 1 0 "[ ]" 4
50 1 65 PHE O 1 69 LEU N 3.100 . 3.100 3.217 3.217 3.217 0.117 1 0 "[ ]" 4
51 1 66 PRO O 1 70 THR H 2.100 . 2.100 2.432 2.432 2.432 0.332 1 0 "[ ]" 4
52 1 66 PRO O 1 70 THR N 3.100 . 3.100 3.278 3.278 3.278 0.178 1 0 "[ ]" 4
53 1 67 GLU O 1 71 MET H 2.100 . 2.100 2.206 2.206 2.206 0.106 1 0 "[ ]" 4
54 1 67 GLU O 1 71 MET N 3.100 . 3.100 3.131 3.131 3.131 0.031 1 0 "[ ]" 4
55 1 68 PHE O 1 72 MET H 2.100 . 2.100 2.150 2.150 2.150 0.050 1 0 "[ ]" 4
56 1 68 PHE O 1 72 MET N 3.100 . 3.100 3.125 3.125 3.125 0.025 1 0 "[ ]" 4
57 1 69 LEU O 1 73 ALA H 2.100 . 2.100 1.865 1.865 1.865 . 0 0 "[ ]" 4
58 1 69 LEU O 1 73 ALA N 3.100 . 3.100 2.695 2.695 2.695 . 0 0 "[ ]" 4
59 1 70 THR O 1 74 ARG H 2.100 . 2.100 1.879 1.879 1.879 . 0 0 "[ ]" 4
60 1 70 THR O 1 74 ARG N 3.100 . 3.100 2.747 2.747 2.747 . 0 0 "[ ]" 4
61 1 71 MET O 1 75 LYS H 2.100 . 2.100 2.412 2.412 2.412 0.312 1 0 "[ ]" 4
62 1 71 MET O 1 75 LYS N 3.100 . 3.100 3.365 3.365 3.365 0.265 1 0 "[ ]" 4
63 1 72 MET O 1 76 MET H 2.100 . 2.100 1.880 1.880 1.880 . 0 0 "[ ]" 4
64 1 72 MET O 1 76 MET N 3.100 . 3.100 2.756 2.756 2.756 . 0 0 "[ ]" 4
65 1 73 ALA O 1 77 LYS H 2.100 . 2.100 2.152 2.152 2.152 0.052 1 0 "[ ]" 4
66 1 73 ALA O 1 77 LYS N 3.100 . 3.100 2.991 2.991 2.991 . 0 0 "[ ]" 4
67 1 100 ILE H 1 136 VAL O 2.100 . 2.100 2.056 2.056 2.056 . 0 0 "[ ]" 4
68 1 100 ILE N 1 136 VAL O 3.100 . 3.100 2.990 2.990 2.990 . 0 0 "[ ]" 4
69 1 100 ILE O 1 136 VAL H 2.100 . 2.100 2.229 2.229 2.229 0.129 1 0 "[ ]" 4
70 1 100 ILE O 1 136 VAL N 3.100 . 3.100 3.166 3.166 3.166 0.066 1 0 "[ ]" 4
71 1 80 ASP O 1 84 GLU H 2.100 . 2.100 1.789 1.789 1.789 . 0 0 "[ ]" 4
72 1 80 ASP O 1 84 GLU N 3.100 . 3.100 2.685 2.685 2.685 . 0 0 "[ ]" 4
73 1 81 SER O 1 85 ILE H 2.100 . 2.100 2.250 2.250 2.250 0.150 1 0 "[ ]" 4
74 1 81 SER O 1 85 ILE N 3.100 . 3.100 3.152 3.152 3.152 0.052 1 0 "[ ]" 4
75 1 82 GLU O 1 86 ARG H 2.100 . 2.100 2.214 2.214 2.214 0.114 1 0 "[ ]" 4
76 1 82 GLU O 1 86 ARG N 3.100 . 3.100 3.153 3.153 3.153 0.053 1 0 "[ ]" 4
77 1 83 GLU O 1 87 GLU H 2.100 . 2.100 1.861 1.861 1.861 . 0 0 "[ ]" 4
78 1 83 GLU O 1 87 GLU N 3.100 . 3.100 2.838 2.838 2.838 . 0 0 "[ ]" 4
79 1 84 GLU O 1 88 ALA H 2.100 . 2.100 1.919 1.919 1.919 . 0 0 "[ ]" 4
80 1 84 GLU O 1 88 ALA N 3.100 . 3.100 2.852 2.852 2.852 . 0 0 "[ ]" 4
81 1 85 ILE O 1 89 PHE H 2.100 . 2.100 1.587 1.587 1.587 . 0 0 "[ ]" 4
82 1 85 ILE O 1 89 PHE N 3.100 . 3.100 2.536 2.536 2.536 . 0 0 "[ ]" 4
83 1 86 ARG O 1 90 ARG H 2.100 . 2.100 2.303 2.303 2.303 0.203 1 0 "[ ]" 4
84 1 86 ARG O 1 90 ARG N 3.100 . 3.100 3.179 3.179 3.179 0.079 1 0 "[ ]" 4
85 1 87 GLU O 1 91 VAL H 2.100 . 2.100 2.195 2.195 2.195 0.095 1 0 "[ ]" 4
86 1 87 GLU O 1 91 VAL N 3.100 . 3.100 3.084 3.084 3.084 . 0 0 "[ ]" 4
87 1 88 ALA O 1 92 PHE H 2.100 . 2.100 2.060 2.060 2.060 . 0 0 "[ ]" 4
88 1 88 ALA O 1 92 PHE N 3.100 . 3.100 3.021 3.021 3.021 . 0 0 "[ ]" 4
89 1 102 ALA O 1 106 ARG H 2.100 . 2.100 1.841 1.841 1.841 . 0 0 "[ ]" 4
90 1 102 ALA O 1 106 ARG N 3.100 . 3.100 2.752 2.752 2.752 . 0 0 "[ ]" 4
91 1 103 ALA O 1 107 HIS H 2.100 . 2.100 2.152 2.152 2.152 0.052 1 0 "[ ]" 4
92 1 103 ALA O 1 107 HIS N 3.100 . 3.100 2.953 2.953 2.953 . 0 0 "[ ]" 4
93 1 104 GLU O 1 108 VAL H 2.100 . 2.100 2.023 2.023 2.023 . 0 0 "[ ]" 4
94 1 104 GLU O 1 108 VAL N 3.100 . 3.100 2.978 2.978 2.978 . 0 0 "[ ]" 4
95 1 105 LEU O 1 109 MET H 2.100 . 2.100 2.033 2.033 2.033 . 0 0 "[ ]" 4
96 1 105 LEU O 1 109 MET N 3.100 . 3.100 2.959 2.959 2.959 . 0 0 "[ ]" 4
97 1 106 ARG O 1 110 THR H 2.100 . 2.100 2.005 2.005 2.005 . 0 0 "[ ]" 4
98 1 106 ARG O 1 110 THR N 3.100 . 3.100 2.888 2.888 2.888 . 0 0 "[ ]" 4
99 1 107 HIS O 1 111 ASN H 2.100 . 2.100 2.192 2.192 2.192 0.092 1 0 "[ ]" 4
100 1 107 HIS O 1 111 ASN N 3.100 . 3.100 3.008 3.008 3.008 . 0 0 "[ ]" 4
101 1 118 ASP O 1 122 ASP H 2.100 . 2.100 1.965 1.965 1.965 . 0 0 "[ ]" 4
102 1 118 ASP O 1 122 ASP N 3.100 . 3.100 2.893 2.893 2.893 . 0 0 "[ ]" 4
103 1 119 GLU O 1 123 GLU H 2.100 . 2.100 2.094 2.094 2.094 . 0 0 "[ ]" 4
104 1 119 GLU O 1 123 GLU N 3.100 . 3.100 3.024 3.024 3.024 . 0 0 "[ ]" 4
105 1 120 GLU O 1 124 MET H 2.100 . 2.100 2.062 2.062 2.062 . 0 0 "[ ]" 4
106 1 120 GLU O 1 124 MET N 3.100 . 3.100 2.970 2.970 2.970 . 0 0 "[ ]" 4
107 1 121 VAL O 1 125 ILE H 2.100 . 2.100 2.043 2.043 2.043 . 0 0 "[ ]" 4
108 1 121 VAL O 1 125 ILE N 3.100 . 3.100 3.001 3.001 3.001 . 0 0 "[ ]" 4
109 1 122 ASP O 1 126 ARG H 2.100 . 2.100 1.719 1.719 1.719 . 0 0 "[ ]" 4
110 1 122 ASP O 1 126 ARG N 3.100 . 3.100 2.671 2.671 2.671 . 0 0 "[ ]" 4
111 1 123 GLU O 1 127 GLU H 2.100 . 2.100 1.721 1.721 1.721 . 0 0 "[ ]" 4
112 1 123 GLU O 1 127 GLU N 3.100 . 3.100 2.645 2.645 2.645 . 0 0 "[ ]" 4
113 1 138 TYR O 1 142 VAL H 2.100 . 2.100 2.194 2.194 2.194 0.094 1 0 "[ ]" 4
114 1 138 TYR O 1 142 VAL N 3.100 . 3.100 3.152 3.152 3.152 0.052 1 0 "[ ]" 4
115 1 139 GLU O 1 143 GLN H 2.100 . 2.100 2.172 2.172 2.172 0.072 1 0 "[ ]" 4
116 1 139 GLU O 1 143 GLN N 3.100 . 3.100 3.068 3.068 3.068 . 0 0 "[ ]" 4
117 1 140 GLU O 1 144 MET H 2.100 . 2.100 1.865 1.865 1.865 . 0 0 "[ ]" 4
118 1 140 GLU O 1 144 MET N 3.100 . 3.100 2.720 2.720 2.720 . 0 0 "[ ]" 4
119 2 3 SER O 2 7 GLN H 2.100 . 2.100 2.101 2.101 2.101 0.001 1 0 "[ ]" 4
120 2 3 SER O 2 7 GLN N 3.100 . 3.100 3.023 3.023 3.023 . 0 0 "[ ]" 4
121 2 4 LYS O 2 8 ALA H 2.100 . 2.100 2.271 2.271 2.271 0.171 1 0 "[ ]" 4
122 2 4 LYS O 2 8 ALA N 3.100 . 3.100 3.206 3.206 3.206 0.106 1 0 "[ ]" 4
123 2 5 TRP O 2 9 PHE H 2.100 . 2.100 1.889 1.889 1.889 . 0 0 "[ ]" 4
124 2 5 TRP O 2 9 PHE N 3.100 . 3.100 2.780 2.780 2.780 . 0 0 "[ ]" 4
125 2 6 LYS O 2 10 ASN H 2.100 . 2.100 1.655 1.655 1.655 . 0 0 "[ ]" 4
126 2 6 LYS O 2 10 ASN N 3.100 . 3.100 2.589 2.589 2.589 . 0 0 "[ ]" 4
127 2 7 GLN O 2 11 ALA H 2.100 . 2.100 1.816 1.816 1.816 . 0 0 "[ ]" 4
128 2 7 GLN O 2 11 ALA N 3.100 . 3.100 2.754 2.754 2.754 . 0 0 "[ ]" 4
129 2 8 ALA O 2 12 THR H 2.100 . 2.100 2.129 2.129 2.129 0.029 1 0 "[ ]" 4
130 2 8 ALA O 2 12 THR N 3.100 . 3.100 3.088 3.088 3.088 . 0 0 "[ ]" 4
131 2 9 PHE O 2 13 ALA H 2.100 . 2.100 2.077 2.077 2.077 . 0 0 "[ ]" 4
132 2 9 PHE O 2 13 ALA N 3.100 . 3.100 2.998 2.998 2.998 . 0 0 "[ ]" 4
133 2 10 ASN O 2 14 VAL H 2.100 . 2.100 1.706 1.706 1.706 . 0 0 "[ ]" 4
134 2 10 ASN O 2 14 VAL N 3.100 . 3.100 2.680 2.680 2.680 . 0 0 "[ ]" 4
135 2 11 ALA O 2 15 VAL H 2.100 . 2.100 2.247 2.247 2.247 0.147 1 0 "[ ]" 4
136 2 11 ALA O 2 15 VAL N 3.100 . 3.100 3.126 3.126 3.126 0.026 1 0 "[ ]" 4
137 2 12 THR O 2 16 ARG H 2.100 . 2.100 2.248 2.248 2.248 0.148 1 0 "[ ]" 4
138 2 12 THR O 2 16 ARG N 3.100 . 3.100 3.205 3.205 3.205 0.105 1 0 "[ ]" 4
139 2 13 ALA O 2 17 HIS H 2.100 . 2.100 2.128 2.128 2.128 0.028 1 0 "[ ]" 4
140 2 13 ALA O 2 17 HIS N 3.100 . 3.100 3.014 3.014 3.014 . 0 0 "[ ]" 4
141 2 14 VAL O 2 18 MET H 2.100 . 2.100 1.688 1.688 1.688 . 0 0 "[ ]" 4
142 2 14 VAL O 2 18 MET N 3.100 . 3.100 2.638 2.638 2.638 . 0 0 "[ ]" 4
143 2 15 VAL O 2 19 ARG H 2.100 . 2.100 2.137 2.137 2.137 0.037 1 0 "[ ]" 4
144 2 15 VAL O 2 19 ARG N 3.100 . 3.100 3.035 3.035 3.035 . 0 0 "[ ]" 4
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