NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542112 |
2lgf   |
17807 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgf
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 244
_Distance_constraint_stats_list.Viol_count 34
_Distance_constraint_stats_list.Viol_total 6.092
_Distance_constraint_stats_list.Viol_max 0.520
_Distance_constraint_stats_list.Viol_rms 0.0801
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.1792
_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 34 MET 0.137 0.137 1 0 "[ ]"
1 49 MET 0.290 0.152 1 0 "[ ]"
1 69 MET 0.491 0.281 1 0 "[ ]"
1 70 MET 0.281 0.281 1 0 "[ ]"
1 74 MET 0.215 0.215 1 0 "[ ]"
1 107 MET 1.554 0.520 1 1 [+]
1 122 MET 1.094 0.440 1 0 "[ ]"
1 142 MET 0.071 0.071 1 0 "[ ]"
1 143 MET 0.046 0.046 1 0 "[ ]"
2 1 ALA 0.281 0.281 1 0 "[ ]"
2 2 PHE 0.810 0.440 1 0 "[ ]"
2 3 ILE 0.597 0.143 1 0 "[ ]"
2 4 ILE 0.130 0.130 1 0 "[ ]"
2 5 TRP 2.533 0.520 1 1 [+]
2 6 LEU 0.822 0.311 1 0 "[ ]"
2 7 ALA 0.358 0.202 1 0 "[ ]"
2 8 ARG 0.000 0.000 . 0 "[ ]"
2 9 ARG 0.107 0.101 1 0 "[ ]"
2 10 LEU 0.460 0.202 1 0 "[ ]"
2 11 LYS 0.294 0.236 1 0 "[ ]"
2 12 LYS 0.337 0.337 1 0 "[ ]"
2 13 GLY 0.000 0.000 . 0 "[ ]"
2 14 LYS 0.372 0.372 1 0 "[ ]"
2 15 LYS 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 1 ALA MB 2 2 PHE H 4.670 . 4.670 2.980 2.980 2.980 . 0 0 "[ ]" 1
2 2 1 ALA H1 2 1 ALA MB 3.140 . 3.140 2.066 2.066 2.066 . 0 0 "[ ]" 1
3 2 4 ILE HA 2 7 ALA H 4.220 . 4.220 3.721 3.721 3.721 . 0 0 "[ ]" 1
4 2 6 LEU HG 2 7 ALA H 5.040 . 5.040 4.421 4.421 4.421 . 0 0 "[ ]" 1
5 2 6 LEU MD2 2 7 ALA H 5.070 . 5.070 4.702 4.702 4.702 . 0 0 "[ ]" 1
6 2 12 LYS HA 2 15 LYS H 5.130 . 5.130 3.667 3.667 3.667 . 0 0 "[ ]" 1
7 2 11 LYS HA 2 13 GLY H 5.040 . 5.040 4.225 4.225 4.225 . 0 0 "[ ]" 1
8 2 10 LEU HA 2 13 GLY H 4.920 . 4.920 3.458 3.458 3.458 . 0 0 "[ ]" 1
9 2 6 LEU H 2 7 ALA MB 4.840 . 4.840 4.525 4.525 4.525 . 0 0 "[ ]" 1
10 2 13 GLY H 2 14 LYS HA 5.360 . 5.360 5.188 5.188 5.188 . 0 0 "[ ]" 1
11 2 6 LEU H 2 6 LEU HG 3.650 . 3.650 2.233 2.233 2.233 . 0 0 "[ ]" 1
12 2 3 ILE HA 2 6 LEU H 5.380 . 5.380 3.341 3.341 3.341 . 0 0 "[ ]" 1
13 2 6 LEU H 2 6 LEU MD2 4.790 . 4.790 3.584 3.584 3.584 . 0 0 "[ ]" 1
14 2 12 LYS HA 2 14 LYS H 4.820 . 4.820 4.371 4.371 4.371 . 0 0 "[ ]" 1
15 2 10 LEU HA 2 12 LYS H 4.420 . 4.420 4.285 4.285 4.285 . 0 0 "[ ]" 1
16 2 9 ARG HA 2 12 LYS H 4.240 . 4.240 3.812 3.812 3.812 . 0 0 "[ ]" 1
17 2 5 TRP HA 2 8 ARG H 4.480 . 4.480 3.186 3.186 3.186 . 0 0 "[ ]" 1
18 2 5 TRP H 2 5 TRP HB2 3.690 . 3.690 2.966 2.966 2.966 . 0 0 "[ ]" 1
19 2 5 TRP H 2 5 TRP HB3 4.130 . 4.130 2.173 2.173 2.173 . 0 0 "[ ]" 1
20 2 7 ALA HA 2 10 LEU H 3.890 . 3.890 3.645 3.645 3.645 . 0 0 "[ ]" 1
21 2 3 ILE MG 2 4 ILE H 4.220 . 4.220 4.179 4.179 4.179 . 0 0 "[ ]" 1
22 2 4 ILE H 2 4 ILE MG 4.250 . 4.250 3.723 3.723 3.723 . 0 0 "[ ]" 1
23 2 4 ILE MG 2 5 TRP H 4.550 . 4.550 3.143 3.143 3.143 . 0 0 "[ ]" 1
24 2 3 ILE HB 2 4 ILE H 3.360 . 3.360 3.042 3.042 3.042 . 0 0 "[ ]" 1
25 2 4 ILE H 2 4 ILE HB 3.670 . 3.670 2.379 2.379 2.379 . 0 0 "[ ]" 1
26 2 10 LEU H 2 10 LEU HG 3.210 . 3.210 1.936 1.936 1.936 . 0 0 "[ ]" 1
27 2 10 LEU H 2 10 LEU MD1 4.500 . 4.500 3.629 3.629 3.629 . 0 0 "[ ]" 1
28 2 4 ILE H 2 4 ILE MD 3.880 . 3.880 1.775 1.775 1.775 . 0 0 "[ ]" 1
29 2 9 ARG H 2 10 LEU HG 4.280 . 4.280 4.232 4.232 4.232 . 0 0 "[ ]" 1
30 2 6 LEU HA 2 9 ARG H 5.020 . 5.020 3.645 3.645 3.645 . 0 0 "[ ]" 1
31 2 9 ARG H 2 10 LEU HA 5.290 . 5.290 5.391 5.391 5.391 0.101 1 0 "[ ]" 1
32 2 7 ALA HA 2 11 LYS H 4.830 . 4.830 3.834 3.834 3.834 . 0 0 "[ ]" 1
33 2 8 ARG HA 2 11 LYS H 5.240 . 5.240 3.510 3.510 3.510 . 0 0 "[ ]" 1
34 2 7 ALA MB 2 11 LYS H 5.110 . 5.110 4.331 4.331 4.331 . 0 0 "[ ]" 1
35 2 2 PHE HB3 2 3 ILE H 5.500 . 5.500 3.953 3.953 3.953 . 0 0 "[ ]" 1
36 2 3 ILE H 2 3 ILE HB 3.310 . 3.310 3.384 3.384 3.384 0.074 1 0 "[ ]" 1
37 2 3 ILE H 2 3 ILE HG12 3.930 . 3.930 1.827 1.827 1.827 . 0 0 "[ ]" 1
38 2 2 PHE HB2 2 3 ILE H 5.500 . 5.500 4.177 4.177 4.177 . 0 0 "[ ]" 1
39 2 3 ILE H 2 3 ILE HG13 4.000 . 4.000 1.868 1.868 1.868 . 0 0 "[ ]" 1
40 2 3 ILE H 2 3 ILE MG 4.190 . 4.190 3.075 3.075 3.075 . 0 0 "[ ]" 1
41 2 3 ILE H 2 3 ILE MD 4.370 . 4.370 3.348 3.348 3.348 . 0 0 "[ ]" 1
42 2 5 TRP HA 2 5 TRP HE3 4.910 . 4.910 4.918 4.918 4.918 0.008 1 0 "[ ]" 1
43 2 5 TRP HE3 2 6 LEU HA 3.460 . 3.460 3.763 3.763 3.763 0.303 1 0 "[ ]" 1
44 2 5 TRP HB3 2 5 TRP HE3 3.570 . 3.570 2.427 2.427 2.427 . 0 0 "[ ]" 1
45 2 2 PHE QD 2 3 ILE HG12 3.480 . 3.480 2.280 2.280 2.280 . 0 0 "[ ]" 1
46 2 2 PHE HA 2 2 PHE QD 3.710 . 3.710 3.597 3.597 3.597 . 0 0 "[ ]" 1
47 2 2 PHE QD 2 3 ILE HA 4.400 . 4.400 3.803 3.803 3.803 . 0 0 "[ ]" 1
48 2 2 PHE QD 2 3 ILE HB 4.700 . 4.700 4.805 4.805 4.805 0.105 1 0 "[ ]" 1
49 2 1 ALA MB 2 2 PHE QD 5.130 . 5.130 4.309 4.309 4.309 . 0 0 "[ ]" 1
50 2 2 PHE QD 2 3 ILE HG13 4.550 . 4.550 3.190 3.190 3.190 . 0 0 "[ ]" 1
51 2 2 PHE QD 2 3 ILE MD 3.950 . 3.950 3.834 3.834 3.834 . 0 0 "[ ]" 1
52 2 5 TRP HE3 2 6 LEU MD2 2.880 . 2.880 3.191 3.191 3.191 0.311 1 0 "[ ]" 1
53 2 2 PHE QD 2 4 ILE MD 5.130 . 5.130 4.609 4.609 4.609 . 0 0 "[ ]" 1
54 2 2 PHE HA 2 2 PHE QE 5.500 . 5.500 5.551 5.551 5.551 0.051 1 0 "[ ]" 1
55 2 5 TRP HA 2 5 TRP HD1 3.680 . 3.680 3.041 3.041 3.041 . 0 0 "[ ]" 1
56 2 2 PHE QE 2 3 ILE HA 5.500 . 5.500 3.939 3.939 3.939 . 0 0 "[ ]" 1
57 2 5 TRP HB2 2 5 TRP HD1 3.870 . 3.870 2.793 2.793 2.793 . 0 0 "[ ]" 1
58 2 2 PHE QE 2 3 ILE HB 5.500 . 5.500 4.728 4.728 4.728 . 0 0 "[ ]" 1
59 2 2 PHE QE 2 6 LEU HG 4.610 . 4.610 4.464 4.464 4.464 . 0 0 "[ ]" 1
60 2 2 PHE QE 2 6 LEU MD2 3.580 . 3.580 3.514 3.514 3.514 . 0 0 "[ ]" 1
61 2 2 PHE QE 2 3 ILE MD 4.600 . 4.600 3.350 3.350 3.350 . 0 0 "[ ]" 1
62 2 5 TRP HH2 2 6 LEU MD2 4.910 . 4.910 2.858 2.858 2.858 . 0 0 "[ ]" 1
63 2 5 TRP HZ3 2 6 LEU HG 5.500 . 5.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
64 2 5 TRP HZ3 2 6 LEU HA 5.380 . 5.380 4.361 4.361 4.361 . 0 0 "[ ]" 1
65 2 5 TRP HZ3 2 6 LEU MD2 3.650 . 3.650 2.204 2.204 2.204 . 0 0 "[ ]" 1
66 2 7 ALA H 2 7 ALA MB 3.090 . 3.090 2.179 2.179 2.179 . 0 0 "[ ]" 1
67 2 2 PHE H 2 2 PHE QD 5.180 . 5.180 2.190 2.190 2.190 . 0 0 "[ ]" 1
68 2 2 PHE H 2 3 ILE H 5.500 . 5.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
69 2 4 ILE MG 2 7 ALA H 5.500 . 5.500 4.714 4.714 4.714 . 0 0 "[ ]" 1
70 2 7 ALA H 2 10 LEU MD1 5.500 . 5.500 5.579 5.579 5.579 0.079 1 0 "[ ]" 1
71 2 6 LEU H 2 7 ALA H 4.010 . 4.010 2.854 2.854 2.854 . 0 0 "[ ]" 1
72 2 7 ALA H 2 8 ARG H 3.870 . 3.870 2.566 2.566 2.566 . 0 0 "[ ]" 1
73 2 12 LYS H 2 15 LYS H 5.500 . 5.500 4.976 4.976 4.976 . 0 0 "[ ]" 1
74 2 14 LYS H 2 15 LYS H 4.000 . 4.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
75 2 5 TRP HB3 2 6 LEU H 5.500 . 5.500 2.801 2.801 2.801 . 0 0 "[ ]" 1
76 2 5 TRP HE3 2 6 LEU H 5.190 . 5.190 2.890 2.890 2.890 . 0 0 "[ ]" 1
77 2 12 LYS H 2 13 GLY H 3.780 . 3.780 2.658 2.658 2.658 . 0 0 "[ ]" 1
78 2 11 LYS HA 2 12 LYS H 3.560 . 3.560 3.526 3.526 3.526 . 0 0 "[ ]" 1
79 2 11 LYS H 2 12 LYS H 3.590 . 3.590 2.648 2.648 2.648 . 0 0 "[ ]" 1
80 2 4 ILE H 2 5 TRP HB2 5.500 . 5.500 5.630 5.630 5.630 0.130 1 0 "[ ]" 1
81 2 6 LEU HA 2 10 LEU H 5.500 . 5.500 4.613 4.613 4.613 . 0 0 "[ ]" 1
82 2 5 TRP H 2 5 TRP HD1 5.500 . 5.500 5.171 5.171 5.171 . 0 0 "[ ]" 1
83 2 5 TRP HD1 2 8 ARG H 5.500 . 5.500 5.104 5.104 5.104 . 0 0 "[ ]" 1
84 2 5 TRP H 2 5 TRP HE3 4.570 . 4.570 3.956 3.956 3.956 . 0 0 "[ ]" 1
85 2 8 ARG H 2 9 ARG H 3.180 . 3.180 2.683 2.683 2.683 . 0 0 "[ ]" 1
86 2 9 ARG H 2 10 LEU H 3.330 . 3.330 2.825 2.825 2.825 . 0 0 "[ ]" 1
87 2 3 ILE H 2 4 ILE H 3.680 . 3.680 2.749 2.749 2.749 . 0 0 "[ ]" 1
88 2 1 ALA HA 2 4 ILE H 3.920 . 3.920 3.624 3.624 3.624 . 0 0 "[ ]" 1
89 2 9 ARG H 2 10 LEU MD2 5.500 . 5.500 4.543 4.543 4.543 . 0 0 "[ ]" 1
90 2 10 LEU MD2 2 11 LYS H 5.500 . 5.500 4.287 4.287 4.287 . 0 0 "[ ]" 1
91 2 1 ALA HA 2 3 ILE H 5.500 . 5.500 3.213 3.213 3.213 . 0 0 "[ ]" 1
92 2 2 PHE QD 2 3 ILE H 4.030 . 4.030 1.798 1.798 1.798 . 0 0 "[ ]" 1
93 2 5 TRP HZ2 2 9 ARG HG3 5.500 . 5.500 4.454 4.454 4.454 . 0 0 "[ ]" 1
94 2 5 TRP HZ2 2 9 ARG HG2 5.500 . 5.500 5.298 5.298 5.298 . 0 0 "[ ]" 1
95 2 2 PHE QE 2 5 TRP HZ3 5.500 . 5.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
96 2 2 PHE QD 2 3 ILE MG 5.020 . 5.020 3.451 3.451 3.451 . 0 0 "[ ]" 1
97 2 2 PHE QE 2 3 ILE HG13 5.500 . 5.500 4.043 4.043 4.043 . 0 0 "[ ]" 1
98 2 5 TRP H 2 6 LEU H 4.020 . 4.020 2.632 2.632 2.632 . 0 0 "[ ]" 1
99 2 10 LEU H 2 11 LYS H 3.330 . 3.330 2.542 2.542 2.542 . 0 0 "[ ]" 1
100 2 2 PHE QD 2 4 ILE H 5.410 . 5.410 4.440 4.440 4.440 . 0 0 "[ ]" 1
101 2 1 ALA H1 2 2 PHE H 3.620 . 3.620 2.784 2.784 2.784 . 0 0 "[ ]" 1
102 2 3 ILE HA 2 6 LEU HG 3.840 . 3.840 3.196 3.196 3.196 . 0 0 "[ ]" 1
103 2 3 ILE HA 2 3 ILE HG12 3.600 . 3.600 3.389 3.389 3.389 . 0 0 "[ ]" 1
104 2 6 LEU HA 2 6 LEU HG 3.450 . 3.450 2.712 2.712 2.712 . 0 0 "[ ]" 1
105 2 6 LEU HA 2 7 ALA MB 5.500 . 5.500 5.006 5.006 5.006 . 0 0 "[ ]" 1
106 2 3 ILE HA 2 3 ILE HG13 3.950 . 3.950 3.628 3.628 3.628 . 0 0 "[ ]" 1
107 2 4 ILE MG 2 5 TRP HB2 4.460 . 4.460 4.231 4.231 4.231 . 0 0 "[ ]" 1
108 2 6 LEU HA 2 10 LEU MD1 5.000 . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1
109 2 6 LEU HA 2 6 LEU MD2 3.130 . 3.130 2.116 2.116 2.116 . 0 0 "[ ]" 1
110 2 3 ILE HA 2 3 ILE MG 3.220 . 3.220 2.180 2.180 2.180 . 0 0 "[ ]" 1
111 2 4 ILE HA 2 4 ILE MG 2.970 . 2.970 2.449 2.449 2.449 . 0 0 "[ ]" 1
112 2 3 ILE HA 2 6 LEU MD2 4.140 . 4.140 4.283 4.283 4.283 0.143 1 0 "[ ]" 1
113 2 4 ILE HA 2 4 ILE MD 3.710 . 3.710 3.020 3.020 3.020 . 0 0 "[ ]" 1
114 2 4 ILE MG 2 8 ARG HA 5.490 . 5.490 5.406 5.406 5.406 . 0 0 "[ ]" 1
115 2 6 LEU MD2 2 7 ALA HA 5.500 . 5.500 5.535 5.535 5.535 0.035 1 0 "[ ]" 1
116 2 7 ALA HA 2 10 LEU MD1 3.730 . 3.730 3.771 3.771 3.771 0.041 1 0 "[ ]" 1
117 2 7 ALA HA 2 10 LEU MD2 4.780 . 4.780 4.982 4.982 4.982 0.202 1 0 "[ ]" 1
118 2 1 ALA HA 2 3 ILE MD 4.730 . 4.730 2.885 2.885 2.885 . 0 0 "[ ]" 1
119 2 10 LEU HA 2 10 LEU MD1 3.970 . 3.970 3.760 3.760 3.760 . 0 0 "[ ]" 1
120 2 10 LEU HA 2 10 LEU MD2 3.000 . 3.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
121 2 7 ALA MB 2 8 ARG H 3.440 . 3.440 2.575 2.575 2.575 . 0 0 "[ ]" 1
122 2 2 PHE QD 2 6 LEU HG 3.710 . 3.710 3.530 3.530 3.530 . 0 0 "[ ]" 1
123 2 5 TRP HE3 2 6 LEU HG 3.960 . 3.960 2.262 2.262 2.262 . 0 0 "[ ]" 1
124 2 2 PHE QE 2 3 ILE HG12 5.060 . 5.060 2.338 2.338 2.338 . 0 0 "[ ]" 1
125 2 1 ALA HA 2 2 PHE QD 5.500 . 5.500 3.755 3.755 3.755 . 0 0 "[ ]" 1
126 2 2 PHE HA 2 5 TRP H 5.190 . 5.190 3.271 3.271 3.271 . 0 0 "[ ]" 1
127 2 1 ALA HA 2 4 ILE QG 5.070 . 5.070 4.659 4.659 4.659 . 0 0 "[ ]" 1
128 2 4 ILE H 2 4 ILE QG 3.710 . 3.710 3.104 3.104 3.104 . 0 0 "[ ]" 1
129 2 4 ILE HA 2 4 ILE QG 3.360 . 3.360 2.269 2.269 2.269 . 0 0 "[ ]" 1
130 2 5 TRP HZ2 2 9 ARG QD 4.130 . 4.130 2.272 2.272 2.272 . 0 0 "[ ]" 1
131 2 5 TRP HH2 2 9 ARG QD 5.240 . 5.240 3.929 3.929 3.929 . 0 0 "[ ]" 1
132 2 6 LEU HA 2 9 ARG QB 5.340 . 5.340 3.038 3.038 3.038 . 0 0 "[ ]" 1
133 2 6 LEU QB 2 7 ALA H 3.800 . 3.800 2.497 2.497 2.497 . 0 0 "[ ]" 1
134 2 7 ALA H 2 8 ARG QG 5.290 . 5.290 4.253 4.253 4.253 . 0 0 "[ ]" 1
135 2 8 ARG H 2 8 ARG QB 3.160 . 3.160 2.353 2.353 2.353 . 0 0 "[ ]" 1
136 2 8 ARG H 2 8 ARG QG 3.230 . 3.230 2.315 2.315 2.315 . 0 0 "[ ]" 1
137 2 8 ARG HA 2 8 ARG QG 3.060 . 3.060 2.253 2.253 2.253 . 0 0 "[ ]" 1
138 2 8 ARG QB 2 9 ARG H 3.860 . 3.860 2.654 2.654 2.654 . 0 0 "[ ]" 1
139 2 8 ARG QG 2 9 ARG H 5.020 . 5.020 4.164 4.164 4.164 . 0 0 "[ ]" 1
140 2 9 ARG H 2 9 ARG QB 3.280 . 3.280 2.239 2.239 2.239 . 0 0 "[ ]" 1
141 2 9 ARG H 2 9 ARG QG 4.130 . 4.130 3.946 3.946 3.946 . 0 0 "[ ]" 1
142 2 9 ARG H 2 9 ARG QD 5.340 . 5.340 4.380 4.380 4.380 . 0 0 "[ ]" 1
143 2 9 ARG HA 2 9 ARG QD 4.220 . 4.220 3.975 3.975 3.975 . 0 0 "[ ]" 1
144 2 9 ARG QB 2 10 LEU H 3.600 . 3.600 2.288 2.288 2.288 . 0 0 "[ ]" 1
145 2 9 ARG QB 2 10 LEU HA 4.100 . 4.100 4.106 4.106 4.106 0.006 1 0 "[ ]" 1
146 2 11 LYS H 2 11 LYS QB 3.380 . 3.380 2.254 2.254 2.254 . 0 0 "[ ]" 1
147 2 11 LYS H 2 11 LYS QG 4.270 . 4.270 3.950 3.950 3.950 . 0 0 "[ ]" 1
148 2 11 LYS H 2 11 LYS QD 4.830 . 4.830 4.393 4.393 4.393 . 0 0 "[ ]" 1
149 2 11 LYS HA 2 11 LYS QG 3.100 . 3.100 2.311 2.311 2.311 . 0 0 "[ ]" 1
150 2 11 LYS HA 2 11 LYS QD 3.840 . 3.840 3.898 3.898 3.898 0.058 1 0 "[ ]" 1
151 2 11 LYS QG 2 12 LYS H 5.120 . 5.120 3.772 3.772 3.772 . 0 0 "[ ]" 1
152 2 12 LYS H 2 12 LYS QB 2.860 . 2.860 2.259 2.259 2.259 . 0 0 "[ ]" 1
153 2 12 LYS H 2 12 LYS QG 4.720 . 4.720 3.948 3.948 3.948 . 0 0 "[ ]" 1
154 2 12 LYS H 2 12 LYS QD 5.120 . 5.120 4.383 4.383 4.383 . 0 0 "[ ]" 1
155 2 12 LYS HA 2 12 LYS QG 3.310 . 3.310 2.310 2.310 2.310 . 0 0 "[ ]" 1
156 2 12 LYS HA 2 12 LYS QD 3.550 . 3.550 3.887 3.887 3.887 0.337 1 0 "[ ]" 1
157 2 12 LYS QB 2 13 GLY H 3.710 . 3.710 2.639 2.639 2.639 . 0 0 "[ ]" 1
158 2 12 LYS QG 2 13 GLY H 4.580 . 4.580 3.734 3.734 3.734 . 0 0 "[ ]" 1
159 2 13 GLY QA 2 14 LYS H 3.090 . 3.090 2.757 2.757 2.757 . 0 0 "[ ]" 1
160 2 13 GLY QA 2 15 LYS H 5.340 . 5.340 4.124 4.124 4.124 . 0 0 "[ ]" 1
161 2 14 LYS H 2 14 LYS QB 3.430 . 3.430 2.256 2.256 2.256 . 0 0 "[ ]" 1
162 2 14 LYS H 2 14 LYS QG 4.460 . 4.460 3.952 3.952 3.952 . 0 0 "[ ]" 1
163 2 14 LYS H 2 14 LYS QD 4.960 . 4.960 4.381 4.381 4.381 . 0 0 "[ ]" 1
164 2 14 LYS HA 2 14 LYS QG 3.700 . 3.700 2.298 2.298 2.298 . 0 0 "[ ]" 1
165 2 14 LYS HA 2 14 LYS QD 3.490 . 3.490 3.862 3.862 3.862 0.372 1 0 "[ ]" 1
166 2 14 LYS QB 2 15 LYS H 3.600 . 3.600 2.467 2.467 2.467 . 0 0 "[ ]" 1
167 2 14 LYS QG 2 15 LYS H 5.070 . 5.070 3.590 3.590 3.590 . 0 0 "[ ]" 1
168 2 14 LYS QD 2 15 LYS H 5.340 . 5.340 4.526 4.526 4.526 . 0 0 "[ ]" 1
169 2 15 LYS H 2 15 LYS QD 5.340 . 5.340 3.985 3.985 3.985 . 0 0 "[ ]" 1
170 1 49 MET ME 2 3 ILE MG 6.000 . 6.000 6.138 6.138 6.138 0.138 1 0 "[ ]" 1
171 1 107 MET ME 2 9 ARG QD 6.000 . 6.000 4.495 4.495 4.495 . 0 0 "[ ]" 1
172 1 107 MET ME 2 6 LEU HA 6.000 . 6.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
173 1 107 MET ME 2 5 TRP HZ3 6.000 . 6.000 6.138 6.138 6.138 0.138 1 0 "[ ]" 1
174 1 107 MET ME 2 5 TRP HH2 6.000 . 6.000 6.382 6.382 6.382 0.382 1 0 "[ ]" 1
175 1 122 MET ME 2 10 LEU MD1 6.000 . 6.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
176 1 122 MET ME 2 9 ARG QD 6.000 . 6.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
177 1 122 MET ME 2 2 PHE QB 6.000 . 6.000 6.440 6.440 6.440 0.440 1 0 "[ ]" 1
178 1 122 MET ME 2 5 TRP QB 6.000 . 6.000 6.330 6.330 6.330 0.330 1 0 "[ ]" 1
179 1 122 MET ME 2 6 LEU HA 6.000 . 6.000 3.111 3.111 3.111 . 0 0 "[ ]" 1
180 1 122 MET ME 2 5 TRP HZ3 6.000 . 6.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
181 1 122 MET ME 2 5 TRP HH2 6.000 . 6.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
182 1 142 MET ME 2 5 TRP HH2 6.000 . 6.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
183 1 69 MET ME 2 5 TRP HZ3 6.000 . 6.000 6.281 6.281 6.281 0.281 1 0 "[ ]" 1
184 1 70 MET ME 2 5 TRP QB 6.000 . 6.000 2.438 2.438 2.438 . 0 0 "[ ]" 1
185 1 70 MET ME 2 4 ILE HA 6.000 . 6.000 4.567 4.567 4.567 . 0 0 "[ ]" 1
186 1 143 MET ME 2 6 LEU QD 6.000 . 6.000 2.240 2.240 2.240 . 0 0 "[ ]" 1
187 1 49 MET ME 2 4 ILE MD 6.000 . 6.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
188 1 49 MET ME 2 4 ILE QG 6.000 . 6.000 6.000 6.000 6.000 . 0 0 "[ ]" 1
189 1 122 MET ME 2 9 ARG QG 6.000 . 6.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
190 1 142 MET ME 2 10 LEU MD1 6.000 . 6.000 5.572 5.572 5.572 . 0 0 "[ ]" 1
191 1 69 MET ME 2 4 ILE MD 6.000 . 6.000 3.559 3.559 3.559 . 0 0 "[ ]" 1
192 1 69 MET ME 2 1 ALA MB 6.000 . 6.000 2.026 2.026 2.026 . 0 0 "[ ]" 1
193 1 69 MET ME 2 2 PHE QB 6.000 . 6.000 3.268 3.268 3.268 . 0 0 "[ ]" 1
194 1 69 MET ME 2 1 ALA HA 6.000 . 6.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
195 1 70 MET ME 2 4 ILE MD 6.000 . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
196 1 70 MET ME 2 2 PHE QB 6.000 . 6.000 5.941 5.941 5.941 . 0 0 "[ ]" 1
197 1 70 MET ME 2 1 ALA HA 6.000 . 6.000 6.281 6.281 6.281 0.281 1 0 "[ ]" 1
198 1 107 MET ME 2 10 LEU QD 6.000 . 6.000 1.911 1.911 1.911 . 0 0 "[ ]" 1
199 1 107 MET ME 2 6 LEU MD1 6.000 . 6.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
200 1 122 MET ME 2 9 ARG QB 6.000 . 6.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
201 1 34 MET ME 2 1 ALA MB 6.000 . 6.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
202 1 74 MET ME 2 9 ARG QD 6.000 . 6.000 4.764 4.764 4.764 . 0 0 "[ ]" 1
203 1 74 MET ME 2 5 TRP QB 6.000 . 6.000 3.667 3.667 3.667 . 0 0 "[ ]" 1
204 1 34 MET ME 2 1 ALA HA 6.000 . 6.000 2.135 2.135 2.135 . 0 0 "[ ]" 1
205 1 74 MET ME 2 2 PHE HA 6.000 . 6.000 6.215 6.215 6.215 0.215 1 0 "[ ]" 1
206 1 74 MET ME 2 5 TRP HZ3 6.000 . 6.000 5.782 5.782 5.782 . 0 0 "[ ]" 1
207 1 74 MET ME 2 5 TRP HH2 6.000 . 6.000 5.357 5.357 5.357 . 0 0 "[ ]" 1
208 1 74 MET ME 2 5 TRP HZ2 6.000 . 6.000 3.920 3.920 3.920 . 0 0 "[ ]" 1
209 1 142 MET ME 2 5 TRP HZ2 6.000 . 6.000 5.248 5.248 5.248 . 0 0 "[ ]" 1
210 1 70 MET ME 2 4 ILE MG 6.000 . 6.000 1.977 1.977 1.977 . 0 0 "[ ]" 1
211 1 107 MET ME 2 6 LEU QB 6.000 . 6.000 1.952 1.952 1.952 . 0 0 "[ ]" 1
212 1 107 MET ME 2 7 ALA HA 6.000 . 6.000 2.078 2.078 2.078 . 0 0 "[ ]" 1
213 1 34 MET ME 2 3 ILE MD 6.000 . 6.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
214 1 69 MET ME 2 4 ILE MG 6.000 . 6.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
215 1 69 MET ME 2 4 ILE QG 6.000 . 6.000 4.931 4.931 4.931 . 0 0 "[ ]" 1
216 1 70 MET HA 1 70 MET ME 6.000 . 6.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
217 1 70 MET ME 2 5 TRP HD1 6.000 . 6.000 4.067 4.067 4.067 . 0 0 "[ ]" 1
218 1 49 MET ME 1 69 MET HA 6.000 . 6.000 6.152 6.152 6.152 0.152 1 0 "[ ]" 1
219 1 107 MET ME 2 9 ARG QG 6.000 . 6.000 5.123 5.123 5.123 . 0 0 "[ ]" 1
220 1 107 MET ME 2 5 TRP HZ2 6.000 . 6.000 6.520 6.520 6.520 0.520 1 1 [+] 1
221 1 122 MET ME 2 5 TRP HZ2 6.000 . 6.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
222 1 34 MET ME 2 4 ILE MD 6.000 . 6.000 3.073 3.073 3.073 . 0 0 "[ ]" 1
223 1 142 MET ME 2 5 TRP HZ3 6.000 . 6.000 6.071 6.071 6.071 0.071 1 0 "[ ]" 1
224 1 70 MET ME 2 5 TRP HA 6.000 . 6.000 2.329 2.329 2.329 . 0 0 "[ ]" 1
225 1 70 MET ME 2 5 TRP HE3 6.000 . 6.000 5.599 5.599 5.599 . 0 0 "[ ]" 1
226 1 49 MET ME 2 1 ALA HA 6.000 . 6.000 2.841 2.841 2.841 . 0 0 "[ ]" 1
227 1 107 MET ME 2 11 LYS HA 6.000 . 6.000 6.236 6.236 6.236 0.236 1 0 "[ ]" 1
228 1 122 MET ME 2 5 TRP HE3 6.000 . 6.000 5.382 5.382 5.382 . 0 0 "[ ]" 1
229 1 122 MET ME 2 7 ALA HA 6.000 . 6.000 5.144 5.144 5.144 . 0 0 "[ ]" 1
230 1 122 MET ME 1 143 MET HA 6.000 . 6.000 6.046 6.046 6.046 0.046 1 0 "[ ]" 1
231 1 34 MET ME 2 3 ILE QG 6.000 . 6.000 2.941 2.941 2.941 . 0 0 "[ ]" 1
232 1 142 MET HA 1 142 MET ME 6.000 . 6.000 3.396 3.396 3.396 . 0 0 "[ ]" 1
233 1 142 MET ME 2 10 LEU MD2 6.000 . 6.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
234 1 69 MET ME 1 74 MET HA 6.000 . 6.000 5.770 5.770 5.770 . 0 0 "[ ]" 1
235 1 69 MET ME 2 2 PHE QD 6.000 . 6.000 4.312 4.312 4.312 . 0 0 "[ ]" 1
236 1 69 MET ME 2 5 TRP HE3 6.000 . 6.000 4.625 4.625 4.625 . 0 0 "[ ]" 1
237 1 143 MET ME 2 10 LEU QD 6.000 . 6.000 5.987 5.987 5.987 . 0 0 "[ ]" 1
238 1 107 MET ME 2 3 ILE HA 6.000 . 6.000 4.918 4.918 4.918 . 0 0 "[ ]" 1
239 1 122 MET ME 2 3 ILE HA 6.000 . 6.000 5.950 5.950 5.950 . 0 0 "[ ]" 1
240 1 107 MET ME 2 5 TRP HE3 6.000 . 6.000 5.981 5.981 5.981 . 0 0 "[ ]" 1
241 1 34 MET ME 2 3 ILE HA 6.000 . 6.000 6.137 6.137 6.137 0.137 1 0 "[ ]" 1
242 1 74 MET ME 2 5 TRP HD1 6.000 . 6.000 2.684 2.684 2.684 . 0 0 "[ ]" 1
243 1 69 MET ME 2 5 TRP HD1 6.000 . 6.000 6.058 6.058 6.058 0.058 1 0 "[ ]" 1
244 1 107 MET HA 1 122 MET ME 6.000 . 6.000 6.278 6.278 6.278 0.278 1 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 2.661
_Distance_constraint_stats_list.Viol_max 0.225
_Distance_constraint_stats_list.Viol_rms 0.0358
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1109
_Distance_constraint_stats_list.Viol_average_violations_only 0.1109
_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 18 ASP 0.147 0.147 1 0 "[ ]"
1 20 ASP 0.114 0.114 1 0 "[ ]"
1 22 ASP 0.154 0.154 1 0 "[ ]"
1 24 THR 0.103 0.103 1 0 "[ ]"
1 29 GLU 0.254 0.145 1 0 "[ ]"
1 54 ASP 0.225 0.225 1 0 "[ ]"
1 56 ASP 0.090 0.090 1 0 "[ ]"
1 58 ASN 0.091 0.091 1 0 "[ ]"
1 60 THR 0.058 0.058 1 0 "[ ]"
1 65 GLU 0.192 0.105 1 0 "[ ]"
1 91 ASP 0.128 0.128 1 0 "[ ]"
1 93 ASP 0.107 0.107 1 0 "[ ]"
1 95 ASN 0.095 0.095 1 0 "[ ]"
1 97 TYR 0.045 0.045 1 0 "[ ]"
1 102 GLU 0.183 0.102 1 0 "[ ]"
1 127 ASP 0.099 0.099 1 0 "[ ]"
1 129 ASP 0.138 0.138 1 0 "[ ]"
1 131 ASP 0.102 0.102 1 0 "[ ]"
1 133 GLN 0.120 0.120 1 0 "[ ]"
1 138 GLU 0.213 0.119 1 0 "[ ]"
3 1 CA 0.772 0.154 1 0 "[ ]"
4 1 CA 0.656 0.225 1 0 "[ ]"
5 1 CA 0.559 0.128 1 0 "[ ]"
6 1 CA 0.673 0.138 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 18 ASP OD2 3 1 CA CA 2.500 . 2.500 2.647 2.647 2.647 0.147 1 0 "[ ]" 2
2 1 20 ASP OD1 3 1 CA CA 2.500 . 2.500 2.614 2.614 2.614 0.114 1 0 "[ ]" 2
3 1 22 ASP OD2 3 1 CA CA 2.500 . 2.500 2.654 2.654 2.654 0.154 1 0 "[ ]" 2
4 1 24 THR O 3 1 CA CA 2.500 . 2.500 2.603 2.603 2.603 0.103 1 0 "[ ]" 2
5 1 29 GLU OE1 3 1 CA CA 2.500 . 2.500 2.645 2.645 2.645 0.145 1 0 "[ ]" 2
6 1 29 GLU OE2 3 1 CA CA 2.500 . 2.500 2.609 2.609 2.609 0.109 1 0 "[ ]" 2
7 1 54 ASP OD2 4 1 CA CA 2.500 . 2.500 2.725 2.725 2.725 0.225 1 0 "[ ]" 2
8 1 56 ASP OD2 4 1 CA CA 2.500 . 2.500 2.590 2.590 2.590 0.090 1 0 "[ ]" 2
9 1 58 ASN OD1 4 1 CA CA 2.500 . 2.500 2.591 2.591 2.591 0.091 1 0 "[ ]" 2
10 1 60 THR O 4 1 CA CA 2.500 . 2.500 2.558 2.558 2.558 0.058 1 0 "[ ]" 2
11 1 65 GLU OE1 4 1 CA CA 2.500 . 2.500 2.605 2.605 2.605 0.105 1 0 "[ ]" 2
12 1 65 GLU OE2 4 1 CA CA 2.500 . 2.500 2.587 2.587 2.587 0.087 1 0 "[ ]" 2
13 1 91 ASP OD2 5 1 CA CA 2.500 . 2.500 2.628 2.628 2.628 0.128 1 0 "[ ]" 2
14 1 93 ASP OD2 5 1 CA CA 2.500 . 2.500 2.607 2.607 2.607 0.107 1 0 "[ ]" 2
15 1 95 ASN OD1 5 1 CA CA 2.500 . 2.500 2.595 2.595 2.595 0.095 1 0 "[ ]" 2
16 1 97 TYR O 5 1 CA CA 2.500 . 2.500 2.545 2.545 2.545 0.045 1 0 "[ ]" 2
17 1 102 GLU OE1 5 1 CA CA 2.500 . 2.500 2.582 2.582 2.582 0.082 1 0 "[ ]" 2
18 1 102 GLU OE2 5 1 CA CA 2.500 . 2.500 2.602 2.602 2.602 0.102 1 0 "[ ]" 2
19 1 127 ASP OD1 6 1 CA CA 2.500 . 2.500 2.599 2.599 2.599 0.099 1 0 "[ ]" 2
20 1 129 ASP OD2 6 1 CA CA 2.500 . 2.500 2.638 2.638 2.638 0.138 1 0 "[ ]" 2
21 1 131 ASP OD2 6 1 CA CA 2.500 . 2.500 2.602 2.602 2.602 0.102 1 0 "[ ]" 2
22 1 133 GLN O 6 1 CA CA 2.500 . 2.500 2.620 2.620 2.620 0.120 1 0 "[ ]" 2
23 1 138 GLU OE1 6 1 CA CA 2.500 . 2.500 2.619 2.619 2.619 0.119 1 0 "[ ]" 2
24 1 138 GLU OE2 6 1 CA CA 2.500 . 2.500 2.594 2.594 2.594 0.094 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 122
_Distance_constraint_stats_list.Viol_count 37
_Distance_constraint_stats_list.Viol_total 3.132
_Distance_constraint_stats_list.Viol_max 0.207
_Distance_constraint_stats_list.Viol_rms 0.0500
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0257
_Distance_constraint_stats_list.Viol_average_violations_only 0.0847
_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 4 GLU 0.000 0.000 . 0 "[ ]"
1 5 GLU 0.033 0.033 1 0 "[ ]"
1 6 GLN 0.157 0.119 1 0 "[ ]"
1 7 ILE 0.037 0.036 1 0 "[ ]"
1 8 ALA 0.000 0.000 . 0 "[ ]"
1 9 GLU 0.033 0.033 1 0 "[ ]"
1 10 PHE 0.157 0.119 1 0 "[ ]"
1 11 LYS 0.048 0.036 1 0 "[ ]"
1 12 GLU 0.087 0.087 1 0 "[ ]"
1 13 ALA 0.022 0.022 1 0 "[ ]"
1 14 PHE 0.000 0.000 . 0 "[ ]"
1 15 SER 0.011 0.011 1 0 "[ ]"
1 16 LEU 0.087 0.087 1 0 "[ ]"
1 17 PHE 0.022 0.022 1 0 "[ ]"
1 25 ILE 0.150 0.125 1 0 "[ ]"
1 27 THR 0.000 0.000 . 0 "[ ]"
1 28 LYS 0.000 0.000 . 0 "[ ]"
1 29 GLU 0.162 0.099 1 0 "[ ]"
1 30 LEU 0.000 0.000 . 0 "[ ]"
1 31 GLY 0.060 0.060 1 0 "[ ]"
1 32 THR 0.000 0.000 . 0 "[ ]"
1 33 VAL 0.162 0.099 1 0 "[ ]"
1 34 MET 0.000 0.000 . 0 "[ ]"
1 35 ARG 0.060 0.060 1 0 "[ ]"
1 36 SER 0.000 0.000 . 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 ALA 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LEU 0.000 0.000 . 0 "[ ]"
1 47 GLN 0.000 0.000 . 0 "[ ]"
1 48 ASP 0.022 0.022 1 0 "[ ]"
1 49 MET 0.000 0.000 . 0 "[ ]"
1 50 ILE 0.000 0.000 . 0 "[ ]"
1 51 ASN 0.000 0.000 . 0 "[ ]"
1 52 GLU 0.022 0.022 1 0 "[ ]"
1 61 ILE 0.150 0.125 1 0 "[ ]"
1 63 PHE 0.088 0.088 1 0 "[ ]"
1 64 PRO 0.329 0.196 1 0 "[ ]"
1 65 GLU 0.000 0.000 . 0 "[ ]"
1 66 PHE 0.000 0.000 . 0 "[ ]"
1 67 LEU 0.259 0.124 1 0 "[ ]"
1 68 THR 0.540 0.196 1 0 "[ ]"
1 69 MET 0.000 0.000 . 0 "[ ]"
1 70 MET 0.000 0.000 . 0 "[ ]"
1 71 ALA 0.171 0.124 1 0 "[ ]"
1 72 ARG 0.210 0.170 1 0 "[ ]"
1 73 LYS 0.000 0.000 . 0 "[ ]"
1 74 MET 0.000 0.000 . 0 "[ ]"
1 80 GLU 0.000 0.000 . 0 "[ ]"
1 81 GLU 0.000 0.000 . 0 "[ ]"
1 82 GLU 0.000 0.000 . 0 "[ ]"
1 83 ILE 0.000 0.000 . 0 "[ ]"
1 84 ARG 0.000 0.000 . 0 "[ ]"
1 85 GLU 0.000 0.000 . 0 "[ ]"
1 86 ALA 0.000 0.000 . 0 "[ ]"
1 87 PHE 0.000 0.000 . 0 "[ ]"
1 88 ARG 0.000 0.000 . 0 "[ ]"
1 89 VAL 0.000 0.000 . 0 "[ ]"
1 90 PHE 0.000 0.000 . 0 "[ ]"
1 98 ILE 0.376 0.150 1 0 "[ ]"
1 100 ALA 0.000 0.000 . 0 "[ ]"
1 101 ALA 0.052 0.052 1 0 "[ ]"
1 102 GLU 0.057 0.057 1 0 "[ ]"
1 103 LEU 0.000 0.000 . 0 "[ ]"
1 104 ARG 0.000 0.000 . 0 "[ ]"
1 105 HIS 0.052 0.052 1 0 "[ ]"
1 106 VAL 0.057 0.057 1 0 "[ ]"
1 107 MET 0.000 0.000 . 0 "[ ]"
1 108 THR 0.000 0.000 . 0 "[ ]"
1 109 ASN 0.000 0.000 . 0 "[ ]"
1 116 ASP 0.006 0.006 1 0 "[ ]"
1 117 GLU 0.000 0.000 . 0 "[ ]"
1 118 GLU 0.052 0.052 1 0 "[ ]"
1 119 VAL 0.000 0.000 . 0 "[ ]"
1 120 ASP 0.006 0.006 1 0 "[ ]"
1 121 GLU 0.000 0.000 . 0 "[ ]"
1 122 MET 0.133 0.080 1 0 "[ ]"
1 123 ILE 0.000 0.000 . 0 "[ ]"
1 124 ARG 0.000 0.000 . 0 "[ ]"
1 125 GLU 0.000 0.000 . 0 "[ ]"
1 126 ALA 0.080 0.080 1 0 "[ ]"
1 134 VAL 0.376 0.150 1 0 "[ ]"
1 136 TYR 0.000 0.000 . 0 "[ ]"
1 137 GLU 0.230 0.138 1 0 "[ ]"
1 138 GLU 0.000 0.000 . 0 "[ ]"
1 139 PHE 0.207 0.207 1 0 "[ ]"
1 140 VAL 0.000 0.000 . 0 "[ ]"
1 141 GLN 0.230 0.138 1 0 "[ ]"
1 142 MET 0.000 0.000 . 0 "[ ]"
1 143 MET 0.207 0.207 1 0 "[ ]"
2 2 PHE 0.000 0.000 . 0 "[ ]"
2 3 ILE 0.333 0.202 1 0 "[ ]"
2 4 ILE 0.198 0.135 1 0 "[ ]"
2 6 LEU 0.000 0.000 . 0 "[ ]"
2 7 ALA 0.333 0.202 1 0 "[ ]"
2 8 ARG 0.198 0.135 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 25 ILE H 1 61 ILE O 2.100 . 2.100 2.225 2.225 2.225 0.125 1 0 "[ ]" 3
2 1 25 ILE N 1 61 ILE O 3.100 . 3.100 3.074 3.074 3.074 . 0 0 "[ ]" 3
3 1 25 ILE O 1 61 ILE H 2.100 . 2.100 2.125 2.125 2.125 0.025 1 0 "[ ]" 3
4 1 25 ILE O 1 61 ILE N 3.100 . 3.100 3.060 3.060 3.060 . 0 0 "[ ]" 3
5 1 4 GLU O 1 8 ALA H 2.100 . 2.100 1.994 1.994 1.994 . 0 0 "[ ]" 3
6 1 4 GLU O 1 8 ALA N 3.100 . 3.100 2.929 2.929 2.929 . 0 0 "[ ]" 3
7 1 5 GLU O 1 9 GLU H 2.100 . 2.100 2.133 2.133 2.133 0.033 1 0 "[ ]" 3
8 1 5 GLU O 1 9 GLU N 3.100 . 3.100 2.976 2.976 2.976 . 0 0 "[ ]" 3
9 1 6 GLN O 1 10 PHE H 2.100 . 2.100 2.219 2.219 2.219 0.119 1 0 "[ ]" 3
10 1 6 GLN O 1 10 PHE N 3.100 . 3.100 3.137 3.137 3.137 0.037 1 0 "[ ]" 3
11 1 7 ILE O 1 11 LYS H 2.100 . 2.100 2.136 2.136 2.136 0.036 1 0 "[ ]" 3
12 1 7 ILE O 1 11 LYS N 3.100 . 3.100 3.101 3.101 3.101 0.001 1 0 "[ ]" 3
13 1 8 ALA O 1 12 GLU H 2.100 . 2.100 2.026 2.026 2.026 . 0 0 "[ ]" 3
14 1 8 ALA O 1 12 GLU N 3.100 . 3.100 2.983 2.983 2.983 . 0 0 "[ ]" 3
15 1 9 GLU O 1 13 ALA H 2.100 . 2.100 1.660 1.660 1.660 . 0 0 "[ ]" 3
16 1 9 GLU O 1 13 ALA N 3.100 . 3.100 2.602 2.602 2.602 . 0 0 "[ ]" 3
17 1 10 PHE O 1 14 PHE H 2.100 . 2.100 1.583 1.583 1.583 . 0 0 "[ ]" 3
18 1 10 PHE O 1 14 PHE N 3.100 . 3.100 2.486 2.486 2.486 . 0 0 "[ ]" 3
19 1 11 LYS O 1 15 SER H 2.100 . 2.100 2.111 2.111 2.111 0.011 1 0 "[ ]" 3
20 1 11 LYS O 1 15 SER N 3.100 . 3.100 3.005 3.005 3.005 . 0 0 "[ ]" 3
21 1 12 GLU O 1 16 LEU H 2.100 . 2.100 2.187 2.187 2.187 0.087 1 0 "[ ]" 3
22 1 12 GLU O 1 16 LEU N 3.100 . 3.100 3.006 3.006 3.006 . 0 0 "[ ]" 3
23 1 13 ALA O 1 17 PHE H 2.100 . 2.100 2.122 2.122 2.122 0.022 1 0 "[ ]" 3
24 1 13 ALA O 1 17 PHE N 3.100 . 3.100 3.043 3.043 3.043 . 0 0 "[ ]" 3
25 1 27 THR O 1 31 GLY H 2.100 . 2.100 1.724 1.724 1.724 . 0 0 "[ ]" 3
26 1 27 THR O 1 31 GLY N 3.100 . 3.100 2.547 2.547 2.547 . 0 0 "[ ]" 3
27 1 28 LYS O 1 32 THR H 2.100 . 2.100 2.089 2.089 2.089 . 0 0 "[ ]" 3
28 1 28 LYS O 1 32 THR N 3.100 . 3.100 2.959 2.959 2.959 . 0 0 "[ ]" 3
29 1 29 GLU O 1 33 VAL H 2.100 . 2.100 2.199 2.199 2.199 0.099 1 0 "[ ]" 3
30 1 29 GLU O 1 33 VAL N 3.100 . 3.100 3.164 3.164 3.164 0.064 1 0 "[ ]" 3
31 1 30 LEU O 1 34 MET H 2.100 . 2.100 1.741 1.741 1.741 . 0 0 "[ ]" 3
32 1 30 LEU O 1 34 MET N 3.100 . 3.100 2.675 2.675 2.675 . 0 0 "[ ]" 3
33 1 31 GLY O 1 35 ARG H 2.100 . 2.100 2.160 2.160 2.160 0.060 1 0 "[ ]" 3
34 1 31 GLY O 1 35 ARG N 3.100 . 3.100 2.874 2.874 2.874 . 0 0 "[ ]" 3
35 1 32 THR O 1 36 SER H 2.100 . 2.100 2.090 2.090 2.090 . 0 0 "[ ]" 3
36 1 32 THR O 1 36 SER N 3.100 . 3.100 2.954 2.954 2.954 . 0 0 "[ ]" 3
37 1 43 GLU O 1 47 GLN H 2.100 . 2.100 1.598 1.598 1.598 . 0 0 "[ ]" 3
38 1 43 GLU O 1 47 GLN N 3.100 . 3.100 2.528 2.528 2.528 . 0 0 "[ ]" 3
39 1 44 ALA O 1 48 ASP H 2.100 . 2.100 1.920 1.920 1.920 . 0 0 "[ ]" 3
40 1 44 ALA O 1 48 ASP N 3.100 . 3.100 2.805 2.805 2.805 . 0 0 "[ ]" 3
41 1 45 GLU O 1 49 MET H 2.100 . 2.100 2.078 2.078 2.078 . 0 0 "[ ]" 3
42 1 45 GLU O 1 49 MET N 3.100 . 3.100 2.982 2.982 2.982 . 0 0 "[ ]" 3
43 1 46 LEU O 1 50 ILE H 2.100 . 2.100 1.883 1.883 1.883 . 0 0 "[ ]" 3
44 1 46 LEU O 1 50 ILE N 3.100 . 3.100 2.831 2.831 2.831 . 0 0 "[ ]" 3
45 1 47 GLN O 1 51 ASN H 2.100 . 2.100 1.877 1.877 1.877 . 0 0 "[ ]" 3
46 1 47 GLN O 1 51 ASN N 3.100 . 3.100 2.834 2.834 2.834 . 0 0 "[ ]" 3
47 1 48 ASP O 1 52 GLU H 2.100 . 2.100 2.122 2.122 2.122 0.022 1 0 "[ ]" 3
48 1 48 ASP O 1 52 GLU N 3.100 . 3.100 3.037 3.037 3.037 . 0 0 "[ ]" 3
49 1 63 PHE O 1 67 LEU H 2.100 . 2.100 2.188 2.188 2.188 0.088 1 0 "[ ]" 3
50 1 63 PHE O 1 67 LEU N 3.100 . 3.100 3.095 3.095 3.095 . 0 0 "[ ]" 3
51 1 64 PRO O 1 68 THR H 2.100 . 2.100 2.296 2.296 2.296 0.196 1 0 "[ ]" 3
52 1 64 PRO O 1 68 THR N 3.100 . 3.100 3.233 3.233 3.233 0.133 1 0 "[ ]" 3
53 1 65 GLU O 1 69 MET H 2.100 . 2.100 1.950 1.950 1.950 . 0 0 "[ ]" 3
54 1 65 GLU O 1 69 MET N 3.100 . 3.100 2.903 2.903 2.903 . 0 0 "[ ]" 3
55 1 66 PHE O 1 70 MET H 2.100 . 2.100 1.993 1.993 1.993 . 0 0 "[ ]" 3
56 1 66 PHE O 1 70 MET N 3.100 . 3.100 2.896 2.896 2.896 . 0 0 "[ ]" 3
57 1 67 LEU O 1 71 ALA H 2.100 . 2.100 2.224 2.224 2.224 0.124 1 0 "[ ]" 3
58 1 67 LEU O 1 71 ALA N 3.100 . 3.100 3.148 3.148 3.148 0.048 1 0 "[ ]" 3
59 1 68 THR O 1 72 ARG H 2.100 . 2.100 2.270 2.270 2.270 0.170 1 0 "[ ]" 3
60 1 68 THR O 1 72 ARG N 3.100 . 3.100 3.140 3.140 3.140 0.040 1 0 "[ ]" 3
61 1 69 MET O 1 73 LYS H 2.100 . 2.100 1.965 1.965 1.965 . 0 0 "[ ]" 3
62 1 69 MET O 1 73 LYS N 3.100 . 3.100 2.940 2.940 2.940 . 0 0 "[ ]" 3
63 1 70 MET O 1 74 MET H 2.100 . 2.100 1.728 1.728 1.728 . 0 0 "[ ]" 3
64 1 70 MET O 1 74 MET N 3.100 . 3.100 2.591 2.591 2.591 . 0 0 "[ ]" 3
65 1 98 ILE H 1 134 VAL O 2.100 . 2.100 2.217 2.217 2.217 0.117 1 0 "[ ]" 3
66 1 98 ILE N 1 134 VAL O 3.100 . 3.100 3.123 3.123 3.123 0.023 1 0 "[ ]" 3
67 1 98 ILE O 1 134 VAL H 2.100 . 2.100 2.250 2.250 2.250 0.150 1 0 "[ ]" 3
68 1 98 ILE O 1 134 VAL N 3.100 . 3.100 3.186 3.186 3.186 0.086 1 0 "[ ]" 3
69 1 80 GLU O 1 84 ARG H 2.100 . 2.100 1.788 1.788 1.788 . 0 0 "[ ]" 3
70 1 80 GLU O 1 84 ARG N 3.100 . 3.100 2.719 2.719 2.719 . 0 0 "[ ]" 3
71 1 81 GLU O 1 85 GLU H 2.100 . 2.100 1.978 1.978 1.978 . 0 0 "[ ]" 3
72 1 81 GLU O 1 85 GLU N 3.100 . 3.100 2.906 2.906 2.906 . 0 0 "[ ]" 3
73 1 82 GLU O 1 86 ALA H 2.100 . 2.100 2.053 2.053 2.053 . 0 0 "[ ]" 3
74 1 82 GLU O 1 86 ALA N 3.100 . 3.100 2.968 2.968 2.968 . 0 0 "[ ]" 3
75 1 83 ILE O 1 87 PHE H 2.100 . 2.100 1.784 1.784 1.784 . 0 0 "[ ]" 3
76 1 83 ILE O 1 87 PHE N 3.100 . 3.100 2.724 2.724 2.724 . 0 0 "[ ]" 3
77 1 84 ARG O 1 88 ARG H 2.100 . 2.100 2.039 2.039 2.039 . 0 0 "[ ]" 3
78 1 84 ARG O 1 88 ARG N 3.100 . 3.100 3.001 3.001 3.001 . 0 0 "[ ]" 3
79 1 85 GLU O 1 89 VAL H 2.100 . 2.100 2.066 2.066 2.066 . 0 0 "[ ]" 3
80 1 85 GLU O 1 89 VAL N 3.100 . 3.100 2.991 2.991 2.991 . 0 0 "[ ]" 3
81 1 86 ALA O 1 90 PHE H 2.100 . 2.100 1.794 1.794 1.794 . 0 0 "[ ]" 3
82 1 86 ALA O 1 90 PHE N 3.100 . 3.100 2.742 2.742 2.742 . 0 0 "[ ]" 3
83 1 100 ALA O 1 104 ARG H 2.100 . 2.100 1.874 1.874 1.874 . 0 0 "[ ]" 3
84 1 100 ALA O 1 104 ARG N 3.100 . 3.100 2.806 2.806 2.806 . 0 0 "[ ]" 3
85 1 101 ALA O 1 105 HIS H 2.100 . 2.100 2.152 2.152 2.152 0.052 1 0 "[ ]" 3
86 1 101 ALA O 1 105 HIS N 3.100 . 3.100 3.008 3.008 3.008 . 0 0 "[ ]" 3
87 1 102 GLU O 1 106 VAL H 2.100 . 2.100 2.157 2.157 2.157 0.057 1 0 "[ ]" 3
88 1 102 GLU O 1 106 VAL N 3.100 . 3.100 3.009 3.009 3.009 . 0 0 "[ ]" 3
89 1 103 LEU O 1 107 MET H 2.100 . 2.100 1.873 1.873 1.873 . 0 0 "[ ]" 3
90 1 103 LEU O 1 107 MET N 3.100 . 3.100 2.793 2.793 2.793 . 0 0 "[ ]" 3
91 1 104 ARG O 1 108 THR H 2.100 . 2.100 2.074 2.074 2.074 . 0 0 "[ ]" 3
92 1 104 ARG O 1 108 THR N 3.100 . 3.100 2.904 2.904 2.904 . 0 0 "[ ]" 3
93 1 105 HIS O 1 109 ASN H 2.100 . 2.100 2.099 2.099 2.099 . 0 0 "[ ]" 3
94 1 105 HIS O 1 109 ASN N 3.100 . 3.100 2.987 2.987 2.987 . 0 0 "[ ]" 3
95 1 116 ASP O 1 120 ASP H 2.100 . 2.100 2.106 2.106 2.106 0.006 1 0 "[ ]" 3
96 1 116 ASP O 1 120 ASP N 3.100 . 3.100 3.001 3.001 3.001 . 0 0 "[ ]" 3
97 1 117 GLU O 1 121 GLU H 2.100 . 2.100 1.864 1.864 1.864 . 0 0 "[ ]" 3
98 1 117 GLU O 1 121 GLU N 3.100 . 3.100 2.744 2.744 2.744 . 0 0 "[ ]" 3
99 1 118 GLU O 1 122 MET H 2.100 . 2.100 2.152 2.152 2.152 0.052 1 0 "[ ]" 3
100 1 118 GLU O 1 122 MET N 3.100 . 3.100 3.090 3.090 3.090 . 0 0 "[ ]" 3
101 1 119 VAL O 1 123 ILE H 2.100 . 2.100 2.021 2.021 2.021 . 0 0 "[ ]" 3
102 1 119 VAL O 1 123 ILE N 3.100 . 3.100 2.998 2.998 2.998 . 0 0 "[ ]" 3
103 1 120 ASP O 1 124 ARG H 2.100 . 2.100 1.656 1.656 1.656 . 0 0 "[ ]" 3
104 1 120 ASP O 1 124 ARG N 3.100 . 3.100 2.523 2.523 2.523 . 0 0 "[ ]" 3
105 1 121 GLU O 1 125 GLU H 2.100 . 2.100 2.004 2.004 2.004 . 0 0 "[ ]" 3
106 1 121 GLU O 1 125 GLU N 3.100 . 3.100 2.894 2.894 2.894 . 0 0 "[ ]" 3
107 1 122 MET O 1 126 ALA H 2.100 . 2.100 2.180 2.180 2.180 0.080 1 0 "[ ]" 3
108 1 122 MET O 1 126 ALA N 3.100 . 3.100 2.906 2.906 2.906 . 0 0 "[ ]" 3
109 1 136 TYR O 1 140 VAL H 2.100 . 2.100 1.869 1.869 1.869 . 0 0 "[ ]" 3
110 1 136 TYR O 1 140 VAL N 3.100 . 3.100 2.824 2.824 2.824 . 0 0 "[ ]" 3
111 1 137 GLU O 1 141 GLN H 2.100 . 2.100 2.238 2.238 2.238 0.138 1 0 "[ ]" 3
112 1 137 GLU O 1 141 GLN N 3.100 . 3.100 3.193 3.193 3.193 0.093 1 0 "[ ]" 3
113 1 138 GLU O 1 142 MET H 2.100 . 2.100 2.089 2.089 2.089 . 0 0 "[ ]" 3
114 1 138 GLU O 1 142 MET N 3.100 . 3.100 2.972 2.972 2.972 . 0 0 "[ ]" 3
115 1 139 PHE O 1 143 MET H 2.100 . 2.100 2.307 2.307 2.307 0.207 1 0 "[ ]" 3
116 1 139 PHE O 1 143 MET N 3.100 . 3.100 2.782 2.782 2.782 . 0 0 "[ ]" 3
117 2 2 PHE O 2 6 LEU H 2.100 . 2.100 1.914 1.914 1.914 . 0 0 "[ ]" 3
118 2 2 PHE O 2 6 LEU N 3.100 . 3.100 2.856 2.856 2.856 . 0 0 "[ ]" 3
119 2 3 ILE O 2 7 ALA H 2.100 . 2.100 2.302 2.302 2.302 0.202 1 0 "[ ]" 3
120 2 3 ILE O 2 7 ALA N 3.100 . 3.100 3.231 3.231 3.231 0.131 1 0 "[ ]" 3
121 2 4 ILE O 2 8 ARG H 2.100 . 2.100 2.235 2.235 2.235 0.135 1 0 "[ ]" 3
122 2 4 ILE O 2 8 ARG N 3.100 . 3.100 3.163 3.163 3.163 0.063 1 0 "[ ]" 3
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