NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598248 |
2n6l   |
25768 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n6l
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 185
_Distance_constraint_stats_list.Viol_count 228
_Distance_constraint_stats_list.Viol_total 50.540
_Distance_constraint_stats_list.Viol_max 0.075
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0111
_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 3 LYS 0.017 0.005 20 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.014 0.004 10 0 "[ . 1 . 2]"
1 6 ASP 0.017 0.005 20 0 "[ . 1 . 2]"
1 7 PHE 0.004 0.002 2 0 "[ . 1 . 2]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.125 0.014 20 0 "[ . 1 . 2]"
1 10 ARG 0.038 0.010 2 0 "[ . 1 . 2]"
1 11 GLY 0.016 0.010 4 0 "[ . 1 . 2]"
1 12 GLY 0.020 0.006 12 0 "[ . 1 . 2]"
1 13 PHE 0.018 0.005 3 0 "[ . 1 . 2]"
1 14 ALA 0.001 0.001 7 0 "[ . 1 . 2]"
1 15 THR 0.002 0.002 6 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.001 0.001 4 0 "[ . 1 . 2]"
1 38 THR 0.001 0.001 4 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLN 0.016 0.003 14 0 "[ . 1 . 2]"
1 45 LEU 0.021 0.005 16 0 "[ . 1 . 2]"
1 46 GLY 0.020 0.006 12 0 "[ . 1 . 2]"
1 47 LEU 0.047 0.009 5 0 "[ . 1 . 2]"
1 48 THR 0.038 0.010 2 0 "[ . 1 . 2]"
1 49 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.047 0.009 5 0 "[ . 1 . 2]"
1 51 TYR 0.024 0.010 16 0 "[ . 1 . 2]"
1 52 MET 0.014 0.004 10 0 "[ . 1 . 2]"
1 53 PHE 0.539 0.045 8 0 "[ . 1 . 2]"
1 54 ALA 1.218 0.075 6 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.539 0.045 8 0 "[ . 1 . 2]"
1 57 TRP 1.218 0.075 6 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 0.024 0.010 16 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.024 0.009 5 0 "[ . 1 . 2]"
1 64 ALA 0.023 0.004 12 0 "[ . 1 . 2]"
1 65 THR 0.035 0.005 16 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.021 0.021 15 0 "[ . 1 . 2]"
1 74 LYS 0.021 0.021 15 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 0.019 0.009 11 0 "[ . 1 . 2]"
1 97 GLN 0.021 0.016 11 0 "[ . 1 . 2]"
1 98 TYR 0.012 0.003 6 0 "[ . 1 . 2]"
1 99 TYR 0.056 0.034 13 0 "[ . 1 . 2]"
1 101 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.014 0.006 9 0 "[ . 1 . 2]"
1 104 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 SER 0.014 0.006 9 0 "[ . 1 . 2]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 TYR 0.008 0.005 1 0 "[ . 1 . 2]"
1 112 GLY 0.065 0.034 13 0 "[ . 1 . 2]"
1 113 GLY 0.008 0.003 10 0 "[ . 1 . 2]"
1 114 LEU 0.021 0.016 11 0 "[ . 1 . 2]"
1 115 GLY 0.019 0.009 11 0 "[ . 1 . 2]"
1 116 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ASN 0.002 0.002 4 0 "[ . 1 . 2]"
1 120 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 GLY 0.002 0.002 4 0 "[ . 1 . 2]"
1 147 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 GLU 0.005 0.002 10 0 "[ . 1 . 2]"
1 150 LEU 0.003 0.003 4 0 "[ . 1 . 2]"
1 151 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 ASP 0.018 0.005 1 0 "[ . 1 . 2]"
1 154 TYR 0.005 0.003 13 0 "[ . 1 . 2]"
1 155 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 LEU 0.089 0.018 6 0 "[ . 1 . 2]"
1 157 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 159 HIS 0.045 0.018 6 0 "[ . 1 . 2]"
1 160 ALA 0.049 0.015 13 0 "[ . 1 . 2]"
1 161 LEU 0.070 0.022 12 0 "[ . 1 . 2]"
1 162 PHE 0.022 0.018 4 0 "[ . 1 . 2]"
1 163 ASN 0.033 0.014 2 0 "[ . 1 . 2]"
1 164 MET 0.010 0.003 2 0 "[ . 1 . 2]"
1 165 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 VAL 0.003 0.003 4 0 "[ . 1 . 2]"
1 172 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 173 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 174 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 175 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 177 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 178 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 181 SER 0.012 0.012 16 0 "[ . 1 . 2]"
1 182 ALA 0.012 0.012 16 0 "[ . 1 . 2]"
1 183 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 184 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 185 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 190 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 191 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 193 ASP 0.009 0.009 17 0 "[ . 1 . 2]"
1 194 VAL 0.009 0.009 17 0 "[ . 1 . 2]"
1 195 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 199 TYR 0.002 0.002 6 0 "[ . 1 . 2]"
1 200 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 201 ILE 0.009 0.004 4 0 "[ . 1 . 2]"
1 202 GLY 0.027 0.014 2 0 "[ . 1 . 2]"
1 203 PHE 0.006 0.006 14 0 "[ . 1 . 2]"
1 204 GLY 0.041 0.018 4 0 "[ . 1 . 2]"
1 205 TYR 0.070 0.022 12 0 "[ . 1 . 2]"
1 206 LYS 0.077 0.014 20 0 "[ . 1 . 2]"
1 207 PHE 0.004 0.002 2 0 "[ . 1 . 2]"
1 208 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS H 1 4 ALA H 1.800 . 5.000 4.384 4.315 4.506 . 0 0 "[ . 1 . 2]" 1
2 1 5 GLY H 1 6 ASP H 1.800 . 5.000 2.151 1.983 2.372 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLY H 1 52 MET H 1.800 . 5.000 4.858 4.540 5.004 0.004 10 0 "[ . 1 . 2]" 1
4 1 6 ASP H 1 52 MET H 1.800 . 5.000 3.839 3.628 4.073 . 0 0 "[ . 1 . 2]" 1
5 1 8 ILE H 1 50 THR H 1.800 . 5.000 3.738 2.889 4.212 . 0 0 "[ . 1 . 2]" 1
6 1 9 ILE H 1 205 TYR H 1.800 . 5.000 3.365 2.490 3.917 . 0 0 "[ . 1 . 2]" 1
7 1 10 ARG H 1 48 THR H 1.800 . 3.500 3.423 3.243 3.510 0.010 2 0 "[ . 1 . 2]" 1
8 1 10 ARG H 1 205 TYR H 1.800 . 6.000 4.956 4.494 5.362 . 0 0 "[ . 1 . 2]" 1
9 1 11 GLY H 1 12 GLY H 1.800 . 5.000 4.357 3.915 4.596 . 0 0 "[ . 1 . 2]" 1
10 1 12 GLY H 1 46 GLY H 1.800 . 3.500 3.421 3.174 3.506 0.006 12 0 "[ . 1 . 2]" 1
11 1 12 GLY H 1 13 PHE H 1.800 . 5.000 4.275 3.900 4.529 . 0 0 "[ . 1 . 2]" 1
12 1 12 GLY H 1 47 LEU H 1.800 . 5.000 4.678 4.055 4.955 . 0 0 "[ . 1 . 2]" 1
13 1 13 PHE H 1 202 GLY H 1.800 . 5.000 4.897 4.431 5.005 0.005 3 0 "[ . 1 . 2]" 1
14 1 14 ALA H 1 44 GLN H 1.800 . 5.000 4.596 2.879 5.001 0.001 7 0 "[ . 1 . 2]" 1
15 1 19 ASP H 1 20 ASP H 1.800 . 5.000 3.467 1.999 4.556 . 0 0 "[ . 1 . 2]" 1
16 1 20 ASP H 1 21 SER H 1.800 . 5.000 2.453 2.119 2.798 . 0 0 "[ . 1 . 2]" 1
17 1 25 ILE H 1 26 LYS H 1.800 . 5.000 3.605 1.994 4.616 . 0 0 "[ . 1 . 2]" 1
18 1 27 LEU H 1 28 ASP H 1.800 . 5.000 3.512 2.049 4.635 . 0 0 "[ . 1 . 2]" 1
19 1 38 THR H 1 39 VAL H 1.800 . 5.000 3.891 2.314 4.558 . 0 0 "[ . 1 . 2]" 1
20 1 42 ASP H 1 43 THR H 1.800 . 5.000 3.505 2.069 4.604 . 0 0 "[ . 1 . 2]" 1
21 1 45 LEU H 1 65 THR H 1.800 . 3.500 3.362 2.844 3.505 0.005 16 0 "[ . 1 . 2]" 1
22 1 46 GLY H 1 47 LEU H 1.800 . 5.000 4.362 4.003 4.593 . 0 0 "[ . 1 . 2]" 1
23 1 13 PHE H 1 46 GLY H 1.800 . 6.000 5.168 4.385 5.537 . 0 0 "[ . 1 . 2]" 1
24 1 47 LEU H 1 48 THR H 1.800 . 5.000 4.422 4.272 4.551 . 0 0 "[ . 1 . 2]" 1
25 1 48 THR H 1 49 PHE H 1.800 . 5.000 4.332 4.245 4.405 . 0 0 "[ . 1 . 2]" 1
26 1 48 THR H 1 63 ALA H 1.800 . 6.000 5.213 4.568 5.554 . 0 0 "[ . 1 . 2]" 1
27 1 51 TYR H 1 52 MET H 1.800 . 6.000 4.106 3.914 4.372 . 0 0 "[ . 1 . 2]" 1
28 1 51 TYR H 1 59 VAL H 1.800 . 3.500 3.182 2.675 3.510 0.010 16 0 "[ . 1 . 2]" 1
29 1 52 MET H 1 53 PHE H 1.800 . 6.000 4.528 4.455 4.585 . 0 0 "[ . 1 . 2]" 1
30 1 54 ALA H 1 57 TRP H 1.800 . 5.000 5.061 5.044 5.075 0.075 6 0 "[ . 1 . 2]" 1
31 1 54 ALA H 1 56 LYS H 1.800 . 5.000 4.978 4.918 4.994 . 0 0 "[ . 1 . 2]" 1
32 1 54 ALA H 1 55 ASP H 1.800 . 5.000 4.579 4.531 4.603 . 0 0 "[ . 1 . 2]" 1
33 1 55 ASP H 1 56 LYS H 1.800 . 5.000 2.925 2.836 3.203 . 0 0 "[ . 1 . 2]" 1
34 1 57 TRP H 1 58 GLY H 1.800 . 5.000 4.558 4.526 4.589 . 0 0 "[ . 1 . 2]" 1
35 1 59 VAL H 1 97 GLN H 1.800 . 5.000 4.628 3.994 4.823 . 0 0 "[ . 1 . 2]" 1
36 1 58 GLY H 1 59 VAL H 1.800 . 5.000 3.963 3.523 4.377 . 0 0 "[ . 1 . 2]" 1
37 1 59 VAL H 1 60 GLU H 1.800 . 5.000 4.478 4.280 4.557 . 0 0 "[ . 1 . 2]" 1
38 1 60 GLU H 1 95 LEU H 1.800 . 5.000 3.781 3.287 4.229 . 0 0 "[ . 1 . 2]" 1
39 1 72 ASP H 1 73 VAL H 1.800 . 5.000 3.960 1.999 4.587 . 0 0 "[ . 1 . 2]" 1
40 1 73 VAL H 1 74 LYS H 1.800 . 3.500 2.446 1.988 3.521 0.021 15 0 "[ . 1 . 2]" 1
41 1 75 GLY H 1 76 LEU H 1.800 . 3.500 2.626 1.957 3.345 . 0 0 "[ . 1 . 2]" 1
42 1 76 LEU H 1 77 GLY H 1.800 . 5.000 3.980 2.063 4.641 . 0 0 "[ . 1 . 2]" 1
43 1 80 LEU H 1 81 ASP H 1.800 . 5.000 3.515 1.995 4.597 . 0 0 "[ . 1 . 2]" 1
44 1 81 ASP H 1 82 GLY H 1.800 . 5.000 3.866 2.314 4.620 . 0 0 "[ . 1 . 2]" 1
45 1 83 LYS H 1 84 LEU H 1.800 . 5.000 3.603 1.902 4.619 . 0 0 "[ . 1 . 2]" 1
46 1 85 ALA H 1 86 ASP H 1.800 . 5.000 3.924 1.998 4.617 . 0 0 "[ . 1 . 2]" 1
47 1 89 GLN H 1 90 LEU H 1.800 . 5.000 4.292 3.691 4.615 . 0 0 "[ . 1 . 2]" 1
48 1 94 LEU H 1 116 VAL H 1.800 . 5.000 4.462 4.011 4.990 . 0 0 "[ . 1 . 2]" 1
49 1 96 LEU H 1 114 LEU H 1.800 . 5.000 3.268 2.482 4.337 . 0 0 "[ . 1 . 2]" 1
50 1 96 LEU H 1 115 GLY H 1.800 . 5.000 4.777 4.364 5.009 0.009 11 0 "[ . 1 . 2]" 1
51 1 98 TYR H 1 113 GLY H 1.800 . 5.000 4.614 3.673 5.003 0.003 10 0 "[ . 1 . 2]" 1
52 1 101 MET H 1 102 GLY H 1.800 . 5.000 2.606 2.249 2.874 . 0 0 "[ . 1 . 2]" 1
53 1 109 GLN H 1 155 MET H 1.800 . 6.000 5.292 4.382 5.907 . 0 0 "[ . 1 . 2]" 1
54 1 111 TYR H 1 151 GLY H 1.800 . 3.500 3.063 2.357 3.483 . 0 0 "[ . 1 . 2]" 1
55 1 111 TYR H 1 153 ASP H 1.800 . 5.000 4.693 4.208 5.005 0.005 1 0 "[ . 1 . 2]" 1
56 1 112 GLY H 1 113 GLY H 1.800 . 5.000 4.455 4.205 4.635 . 0 0 "[ . 1 . 2]" 1
57 1 113 GLY H 1 149 GLU H 1.800 . 3.500 3.241 2.760 3.502 0.002 10 0 "[ . 1 . 2]" 1
58 1 115 GLY H 1 147 ALA H 1.800 . 5.000 3.458 2.230 4.956 . 0 0 "[ . 1 . 2]" 1
59 1 124 GLU H 1 125 ASP H 1.800 . 5.000 2.331 2.091 2.702 . 0 0 "[ . 1 . 2]" 1
60 1 125 ASP H 1 126 LEU H 1.800 . 3.500 2.656 2.469 2.910 . 0 0 "[ . 1 . 2]" 1
61 1 131 LYS H 1 132 ALA H 1.800 . 5.000 3.547 2.014 4.641 . 0 0 "[ . 1 . 2]" 1
62 1 140 LEU H 1 141 GLN H 1.800 . 5.000 3.523 1.992 4.615 . 0 0 "[ . 1 . 2]" 1
63 1 142 ASP H 1 143 SER H 1.800 . 3.500 2.598 1.990 3.499 . 0 0 "[ . 1 . 2]" 1
64 1 143 SER H 1 144 TRP H 1.800 . 5.000 3.396 1.998 4.586 . 0 0 "[ . 1 . 2]" 1
65 1 150 LEU H 1 166 VAL H 1.800 . 3.500 3.214 2.719 3.503 0.003 4 0 "[ . 1 . 2]" 1
66 1 154 TYR H 1 155 MET H 1.800 . 5.000 4.214 3.840 4.459 . 0 0 "[ . 1 . 2]" 1
67 1 154 TYR H 1 162 PHE H 1.800 . 5.000 3.085 2.538 3.990 . 0 0 "[ . 1 . 2]" 1
68 1 154 TYR H 1 163 ASN H 1.800 . 5.000 4.862 4.675 5.003 0.003 13 0 "[ . 1 . 2]" 1
69 1 155 MET H 1 162 PHE H 1.800 . 6.000 4.907 4.562 5.295 . 0 0 "[ . 1 . 2]" 1
70 1 156 LEU H 1 157 ASN H 1.800 . 5.000 2.052 1.973 2.237 . 0 0 "[ . 1 . 2]" 1
71 1 156 LEU H 1 160 ALA H 1.800 . 5.000 4.851 4.322 5.015 0.015 13 0 "[ . 1 . 2]" 1
72 1 156 LEU H 1 159 HIS H 1.800 . 5.000 4.728 4.490 5.018 0.018 6 0 "[ . 1 . 2]" 1
73 1 157 ASN H 1 159 HIS H 1.800 . 5.000 3.972 3.684 4.299 . 0 0 "[ . 1 . 2]" 1
74 1 158 GLU H 1 159 HIS H 1.800 . 5.000 2.543 2.369 2.736 . 0 0 "[ . 1 . 2]" 1
75 1 158 GLU H 1 160 ALA H 1.800 . 5.000 4.119 3.497 4.361 . 0 0 "[ . 1 . 2]" 1
76 1 159 HIS H 1 160 ALA H 1.800 . 5.000 2.610 1.798 2.938 0.002 17 0 "[ . 1 . 2]" 1
77 1 161 LEU H 1 204 GLY H 1.800 . 3.500 2.716 2.137 3.110 . 0 0 "[ . 1 . 2]" 1
78 1 163 ASN H 1 164 MET H 1.800 . 5.000 4.371 4.150 4.569 . 0 0 "[ . 1 . 2]" 1
79 1 163 ASN H 1 202 GLY H 1.800 . 3.500 3.376 3.116 3.514 0.014 2 0 "[ . 1 . 2]" 1
80 1 163 ASN H 1 203 PHE H 1.800 . 5.000 4.659 4.041 4.967 . 0 0 "[ . 1 . 2]" 1
81 1 163 ASN H 1 204 GLY H 1.800 . 5.000 4.802 3.980 5.003 0.003 2 0 "[ . 1 . 2]" 1
82 1 173 THR H 1 174 LYS H 1.800 . 5.000 3.602 2.014 4.628 . 0 0 "[ . 1 . 2]" 1
83 1 174 LYS H 1 175 ALA H 1.800 . 3.500 2.557 1.996 3.432 . 0 0 "[ . 1 . 2]" 1
84 1 177 ILE H 1 178 ASN H 1.800 . 5.000 4.305 3.628 4.625 . 0 0 "[ . 1 . 2]" 1
85 1 192 VAL H 1 193 ASP H 1.800 . 3.500 2.591 1.991 3.406 . 0 0 "[ . 1 . 2]" 1
86 1 193 ASP H 1 194 VAL H 1.800 . 3.500 2.833 2.006 3.509 0.009 17 0 "[ . 1 . 2]" 1
87 1 194 VAL H 1 195 ASP H 1.800 . 5.000 3.564 1.998 4.599 . 0 0 "[ . 1 . 2]" 1
88 1 202 GLY H 1 203 PHE H 1.800 . 5.000 4.350 4.313 4.405 . 0 0 "[ . 1 . 2]" 1
89 1 3 LYS H 1 6 ASP H 1.800 . 5.000 4.890 4.231 5.005 0.005 20 0 "[ . 1 . 2]" 1
90 1 4 ALA H 1 5 GLY H 1.800 . 6.000 4.552 4.446 4.630 . 0 0 "[ . 1 . 2]" 1
91 1 6 ASP H 1 7 PHE H 1.800 . 6.000 4.586 4.501 4.631 . 0 0 "[ . 1 . 2]" 1
92 1 7 PHE H 1 207 PHE H 1.800 . 5.000 4.783 3.987 5.002 0.002 2 0 "[ . 1 . 2]" 1
93 1 7 PHE H 1 8 ILE H 1.800 . 6.000 4.406 4.224 4.529 . 0 0 "[ . 1 . 2]" 1
94 1 8 ILE H 1 9 ILE H 1.800 . 5.000 4.365 4.182 4.466 . 0 0 "[ . 1 . 2]" 1
95 1 9 ILE H 1 206 LYS H 1.800 . 5.000 4.989 4.768 5.014 0.014 20 0 "[ . 1 . 2]" 1
96 1 9 ILE H 1 50 THR H 1.800 . 5.000 4.947 4.596 5.009 0.009 5 0 "[ . 1 . 2]" 1
97 1 10 ARG H 1 11 GLY H 1.800 . 5.000 4.350 4.202 4.528 . 0 0 "[ . 1 . 2]" 1
98 1 10 ARG H 1 49 PHE H 1.800 . 6.000 5.168 4.693 5.558 . 0 0 "[ . 1 . 2]" 1
99 1 11 GLY H 1 203 PHE H 1.800 . 3.500 3.140 2.266 3.506 0.006 14 0 "[ . 1 . 2]" 1
100 1 11 GLY H 1 204 GLY H 1.800 . 5.000 4.713 4.113 5.010 0.010 4 0 "[ . 1 . 2]" 1
101 1 13 PHE H 1 201 ILE H 1.800 . 3.500 3.181 2.412 3.504 0.004 4 0 "[ . 1 . 2]" 1
102 1 13 PHE H 1 14 ALA H 1.800 . 5.000 4.327 3.887 4.453 . 0 0 "[ . 1 . 2]" 1
103 1 14 ALA H 1 46 GLY H 1.800 . 6.000 5.357 4.096 6.000 . 0 0 "[ . 1 . 2]" 1
104 1 15 THR H 1 199 TYR H 1.800 . 3.500 3.297 2.820 3.502 0.002 6 0 "[ . 1 . 2]" 1
105 1 24 ASP H 1 25 ILE H 1.800 . 5.000 3.642 2.000 4.487 . 0 0 "[ . 1 . 2]" 1
106 1 35 THR H 1 36 LYS H 1.800 . 5.000 3.671 1.998 4.616 . 0 0 "[ . 1 . 2]" 1
107 1 37 ALA H 1 38 THR H 1.800 . 3.500 2.657 2.000 3.501 0.001 4 0 "[ . 1 . 2]" 1
108 1 39 VAL H 1 40 ASP H 1.800 . 3.500 2.376 1.994 3.298 . 0 0 "[ . 1 . 2]" 1
109 1 40 ASP H 1 41 SER H 1.800 . 5.000 3.899 2.652 4.561 . 0 0 "[ . 1 . 2]" 1
110 1 41 SER H 1 42 ASP H 1.800 . 3.500 2.379 2.020 2.827 . 0 0 "[ . 1 . 2]" 1
111 1 47 LEU H 1 63 ALA H 1.800 . 3.500 3.364 2.989 3.509 0.009 5 0 "[ . 1 . 2]" 1
112 1 47 LEU H 1 64 ALA H 1.800 . 5.000 4.937 4.621 5.004 0.004 12 0 "[ . 1 . 2]" 1
113 1 49 PHE H 1 61 LEU H 1.800 . 3.500 2.623 2.195 3.013 . 0 0 "[ . 1 . 2]" 1
114 1 49 PHE H 1 50 THR H 1.800 . 6.000 4.180 3.959 4.393 . 0 0 "[ . 1 . 2]" 1
115 1 50 THR H 1 51 TYR H 1.800 . 5.000 4.475 4.266 4.553 . 0 0 "[ . 1 . 2]" 1
116 1 50 THR H 1 61 LEU H 1.800 . 6.000 4.862 4.440 5.257 . 0 0 "[ . 1 . 2]" 1
117 1 53 PHE H 1 59 VAL H 1.800 . 6.000 4.540 4.033 4.783 . 0 0 "[ . 1 . 2]" 1
118 1 53 PHE H 1 56 LYS H 1.800 . 5.000 5.018 4.820 5.045 0.045 8 0 "[ . 1 . 2]" 1
119 1 53 PHE H 1 57 TRP H 1.800 . 5.000 4.500 3.810 4.643 . 0 0 "[ . 1 . 2]" 1
120 1 55 ASP H 1 57 TRP H 1.800 . 5.000 4.334 4.216 4.705 . 0 0 "[ . 1 . 2]" 1
121 1 56 LYS H 1 57 TRP H 1.800 . 3.500 1.848 1.820 1.969 . 0 0 "[ . 1 . 2]" 1
122 1 57 TRP H 1 99 TYR H 1.800 . 6.000 5.223 4.854 5.611 . 0 0 "[ . 1 . 2]" 1
123 1 58 GLY H 1 97 GLN H 1.800 . 5.000 3.870 3.593 4.056 . 0 0 "[ . 1 . 2]" 1
124 1 60 GLU H 1 61 LEU H 1.800 . 5.000 4.303 4.023 4.445 . 0 0 "[ . 1 . 2]" 1
125 1 51 TYR H 1 60 GLU H 1.800 . 6.000 4.739 4.489 5.262 . 0 0 "[ . 1 . 2]" 1
126 1 62 VAL H 1 93 THR H 1.800 . 5.000 4.288 3.240 5.000 . 0 0 "[ . 1 . 2]" 1
127 1 63 ALA H 1 64 ALA H 1.800 . 5.000 4.192 3.928 4.402 . 0 0 "[ . 1 . 2]" 1
128 1 64 ALA H 1 65 THR H 1.800 . 5.000 4.464 4.341 4.546 . 0 0 "[ . 1 . 2]" 1
129 1 44 GLN H 1 65 THR H 1.800 . 6.000 5.902 5.613 6.003 0.003 14 0 "[ . 1 . 2]" 1
130 1 67 PHE H 1 68 ASN H 1.800 . 5.000 3.722 1.997 4.570 . 0 0 "[ . 1 . 2]" 1
131 1 71 VAL H 1 72 ASP H 1.800 . 5.000 3.431 1.987 4.544 . 0 0 "[ . 1 . 2]" 1
132 1 79 GLY H 1 80 LEU H 1.800 . 5.000 3.596 1.994 4.613 . 0 0 "[ . 1 . 2]" 1
133 1 82 GLY H 1 83 LYS H 1.800 . 5.000 3.560 2.019 4.583 . 0 0 "[ . 1 . 2]" 1
134 1 86 ASP H 1 87 ILE H 1.800 . 5.000 3.892 2.620 4.629 . 0 0 "[ . 1 . 2]" 1
135 1 87 ILE H 1 88 LYS H 1.800 . 5.000 3.731 1.950 4.619 . 0 0 "[ . 1 . 2]" 1
136 1 88 LYS H 1 89 GLN H 1.800 . 5.000 3.549 2.000 4.528 . 0 0 "[ . 1 . 2]" 1
137 1 94 LEU H 1 95 LEU H 1.800 . 5.000 4.491 4.375 4.567 . 0 0 "[ . 1 . 2]" 1
138 1 95 LEU H 1 96 LEU H 1.800 . 6.000 4.296 4.101 4.427 . 0 0 "[ . 1 . 2]" 1
139 1 96 LEU H 1 97 GLN H 1.800 . 5.000 4.517 4.348 4.606 . 0 0 "[ . 1 . 2]" 1
140 1 97 GLN H 1 114 LEU H 1.800 . 5.000 4.925 4.742 5.016 0.016 11 0 "[ . 1 . 2]" 1
141 1 97 GLN H 1 98 TYR H 1.800 . 5.000 4.395 4.168 4.518 . 0 0 "[ . 1 . 2]" 1
142 1 98 TYR H 1 99 TYR H 1.800 . 5.000 4.360 4.181 4.509 . 0 0 "[ . 1 . 2]" 1
143 1 98 TYR H 1 112 GLY H 1.800 . 3.500 3.158 2.495 3.503 0.003 6 0 "[ . 1 . 2]" 1
144 1 99 TYR H 1 112 GLY H 1.800 . 5.000 4.980 4.827 5.034 0.034 13 0 "[ . 1 . 2]" 1
145 1 102 GLY H 1 103 GLY H 1.800 . 5.000 4.410 4.099 4.625 . 0 0 "[ . 1 . 2]" 1
146 1 103 GLY H 1 104 THR H 1.800 . 5.000 2.124 1.990 2.523 . 0 0 "[ . 1 . 2]" 1
147 1 104 THR H 1 106 SER H 1.800 . 5.000 4.149 3.870 4.636 . 0 0 "[ . 1 . 2]" 1
148 1 106 SER H 1 107 ALA H 1.800 . 5.100 4.595 4.510 4.634 . 0 0 "[ . 1 . 2]" 1
149 1 103 GLY H 1 106 SER H 1.800 . 6.000 5.866 5.484 6.006 0.006 9 0 "[ . 1 . 2]" 1
150 1 107 ALA H 1 108 PHE H 1.800 . 5.000 2.618 2.231 2.968 . 0 0 "[ . 1 . 2]" 1
151 1 108 PHE H 1 109 GLN H 1.800 . 6.000 4.499 4.343 4.606 . 0 0 "[ . 1 . 2]" 1
152 1 109 GLN H 1 153 ASP H 1.800 . 5.000 3.319 2.263 4.164 . 0 0 "[ . 1 . 2]" 1
153 1 109 GLN H 1 154 TYR H 1.800 . 6.000 5.263 4.759 5.612 . 0 0 "[ . 1 . 2]" 1
154 1 111 TYR H 1 112 GLY H 1.800 . 5.000 4.266 3.755 4.482 . 0 0 "[ . 1 . 2]" 1
155 1 114 LEU H 1 115 GLY H 1.800 . 5.000 4.356 4.197 4.476 . 0 0 "[ . 1 . 2]" 1
156 1 115 GLY H 1 116 VAL H 1.800 . 5.000 4.489 4.197 4.594 . 0 0 "[ . 1 . 2]" 1
157 1 117 ASN H 1 145 GLY H 1.800 . 5.000 4.423 2.744 5.002 0.002 4 0 "[ . 1 . 2]" 1
158 1 120 THR H 1 121 PHE H 1.800 . 5.000 3.636 2.219 4.598 . 0 0 "[ . 1 . 2]" 1
159 1 123 ASP H 1 124 GLU H 1.800 . 5.000 3.421 1.994 4.637 . 0 0 "[ . 1 . 2]" 1
160 1 127 ALA H 1 128 SER H 1.800 . 5.000 2.636 2.338 2.801 . 0 0 "[ . 1 . 2]" 1
161 1 144 TRP H 1 145 GLY H 1.800 . 6.000 4.412 3.969 4.620 . 0 0 "[ . 1 . 2]" 1
162 1 152 PHE H 1 164 MET H 1.800 . 5.000 2.658 2.174 3.590 . 0 0 "[ . 1 . 2]" 1
163 1 152 PHE H 1 153 ASP H 1.800 . 5.000 4.190 3.843 4.499 . 0 0 "[ . 1 . 2]" 1
164 1 153 ASP H 1 154 TYR H 1.800 . 5.000 4.465 4.254 4.588 . 0 0 "[ . 1 . 2]" 1
165 1 153 ASP H 1 164 MET H 1.800 . 5.000 4.860 4.615 5.003 0.003 2 0 "[ . 1 . 2]" 1
166 1 155 MET H 1 156 LEU H 1.800 . 5.000 4.415 4.190 4.566 . 0 0 "[ . 1 . 2]" 1
167 1 157 ASN H 1 158 GLU H 1.800 . 5.000 3.697 2.649 3.994 . 0 0 "[ . 1 . 2]" 1
168 1 156 LEU H 1 158 GLU H 1.800 . 6.000 5.130 4.092 5.540 . 0 0 "[ . 1 . 2]" 1
169 1 160 ALA H 1 161 LEU H 1.800 . 6.000 4.480 4.065 4.659 . 0 0 "[ . 1 . 2]" 1
170 1 161 LEU H 1 162 PHE H 1.800 . 5.000 4.410 4.277 4.488 . 0 0 "[ . 1 . 2]" 1
171 1 161 LEU H 1 205 TYR H 1.800 . 5.000 4.981 4.844 5.022 0.022 12 0 "[ . 1 . 2]" 1
172 1 162 PHE H 1 163 ASN H 1.800 . 5.000 4.435 4.186 4.567 . 0 0 "[ . 1 . 2]" 1
173 1 162 PHE H 1 204 GLY H 1.800 . 5.000 4.830 4.195 5.018 0.018 4 0 "[ . 1 . 2]" 1
174 1 165 ALA H 1 200 MET H 1.800 . 5.000 3.467 2.897 3.992 . 0 0 "[ . 1 . 2]" 1
175 1 172 ASP H 1 173 THR H 1.800 . 5.000 3.674 1.968 4.596 . 0 0 "[ . 1 . 2]" 1
176 1 181 SER H 1 182 ALA H 1.800 . 3.500 2.556 1.994 3.512 0.012 16 0 "[ . 1 . 2]" 1
177 1 183 LEU H 1 184 GLY H 1.800 . 5.000 3.967 2.081 4.558 . 0 0 "[ . 1 . 2]" 1
178 1 184 GLY H 1 185 VAL H 1.800 . 5.000 3.632 2.056 4.619 . 0 0 "[ . 1 . 2]" 1
179 1 190 VAL H 1 191 ASP H 1.800 . 5.000 3.622 1.981 4.528 . 0 0 "[ . 1 . 2]" 1
180 1 191 ASP H 1 192 VAL H 1.800 . 3.500 2.600 1.986 3.425 . 0 0 "[ . 1 . 2]" 1
181 1 201 ILE H 1 202 GLY H 1.800 . 5.000 4.332 4.091 4.421 . 0 0 "[ . 1 . 2]" 1
182 1 204 GLY H 1 205 TYR H 1.800 . 5.000 4.359 4.253 4.449 . 0 0 "[ . 1 . 2]" 1
183 1 205 TYR H 1 206 LYS H 1.800 . 5.000 4.295 4.041 4.465 . 0 0 "[ . 1 . 2]" 1
184 1 206 LYS H 1 207 PHE H 1.800 . 6.000 4.482 4.243 4.571 . 0 0 "[ . 1 . 2]" 1
185 1 207 PHE H 1 208 LEU H 1.800 . 5.000 4.521 4.379 4.615 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 106
_Distance_constraint_stats_list.Viol_count 147
_Distance_constraint_stats_list.Viol_total 11.471
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0039
_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 ASP 0.112 0.016 2 0 "[ . 1 . 2]"
1 8 ILE 0.008 0.004 14 0 "[ . 1 . 2]"
1 9 ILE 0.003 0.003 9 0 "[ . 1 . 2]"
1 10 ARG 0.006 0.003 19 0 "[ . 1 . 2]"
1 11 GLY 0.018 0.006 12 0 "[ . 1 . 2]"
1 12 GLY 0.009 0.007 12 0 "[ . 1 . 2]"
1 13 PHE 0.003 0.002 13 0 "[ . 1 . 2]"
1 46 GLY 0.009 0.007 12 0 "[ . 1 . 2]"
1 47 LEU 0.002 0.001 7 0 "[ . 1 . 2]"
1 48 THR 0.006 0.003 19 0 "[ . 1 . 2]"
1 49 PHE 0.017 0.004 15 0 "[ . 1 . 2]"
1 50 THR 0.008 0.004 14 0 "[ . 1 . 2]"
1 51 TYR 0.043 0.015 18 0 "[ . 1 . 2]"
1 52 MET 0.112 0.016 2 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 1 0 "[ . 1 . 2]"
1 56 LYS 0.065 0.012 5 0 "[ . 1 . 2]"
1 57 TRP 0.000 0.000 1 0 "[ . 1 . 2]"
1 58 GLY 0.115 0.015 18 0 "[ . 1 . 2]"
1 59 VAL 0.043 0.015 18 0 "[ . 1 . 2]"
1 60 GLU 0.011 0.004 9 0 "[ . 1 . 2]"
1 61 LEU 0.017 0.004 15 0 "[ . 1 . 2]"
1 62 VAL 0.007 0.004 15 0 "[ . 1 . 2]"
1 63 ALA 0.002 0.001 7 0 "[ . 1 . 2]"
1 93 THR 0.007 0.004 15 0 "[ . 1 . 2]"
1 94 LEU 0.010 0.004 10 0 "[ . 1 . 2]"
1 95 LEU 0.011 0.004 9 0 "[ . 1 . 2]"
1 96 LEU 0.004 0.004 13 0 "[ . 1 . 2]"
1 97 GLN 0.115 0.015 18 0 "[ . 1 . 2]"
1 98 TYR 0.022 0.008 11 0 "[ . 1 . 2]"
1 99 TYR 0.065 0.012 5 0 "[ . 1 . 2]"
1 109 GLN 0.033 0.009 1 0 "[ . 1 . 2]"
1 111 TYR 0.004 0.002 3 0 "[ . 1 . 2]"
1 112 GLY 0.022 0.008 11 0 "[ . 1 . 2]"
1 113 GLY 0.015 0.008 11 0 "[ . 1 . 2]"
1 114 LEU 0.004 0.004 13 0 "[ . 1 . 2]"
1 115 GLY 0.003 0.002 15 0 "[ . 1 . 2]"
1 116 VAL 0.010 0.004 10 0 "[ . 1 . 2]"
1 147 ALA 0.003 0.002 15 0 "[ . 1 . 2]"
1 149 GLU 0.015 0.008 11 0 "[ . 1 . 2]"
1 150 LEU 0.003 0.002 13 0 "[ . 1 . 2]"
1 151 GLY 0.004 0.002 3 0 "[ . 1 . 2]"
1 152 PHE 0.011 0.003 12 0 "[ . 1 . 2]"
1 153 ASP 0.033 0.009 1 0 "[ . 1 . 2]"
1 154 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 LEU 0.019 0.008 2 0 "[ . 1 . 2]"
1 160 ALA 0.019 0.008 2 0 "[ . 1 . 2]"
1 161 LEU 0.003 0.003 3 0 "[ . 1 . 2]"
1 162 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 163 ASN 0.011 0.006 4 0 "[ . 1 . 2]"
1 164 MET 0.011 0.003 12 0 "[ . 1 . 2]"
1 165 ALA 0.015 0.003 5 0 "[ . 1 . 2]"
1 166 VAL 0.003 0.002 13 0 "[ . 1 . 2]"
1 200 MET 0.015 0.003 5 0 "[ . 1 . 2]"
1 201 ILE 0.003 0.002 13 0 "[ . 1 . 2]"
1 202 GLY 0.011 0.006 4 0 "[ . 1 . 2]"
1 203 PHE 0.018 0.006 12 0 "[ . 1 . 2]"
1 204 GLY 0.003 0.003 3 0 "[ . 1 . 2]"
1 205 TYR 0.003 0.003 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 ASP N 1 52 MET O 2.800 2.400 3.500 3.320 3.175 3.426 . 0 0 "[ . 1 . 2]" 2
2 1 6 ASP H 1 52 MET O 1.800 . 2.500 2.502 2.432 2.516 0.016 2 0 "[ . 1 . 2]" 2
3 1 6 ASP O 1 52 MET N 2.800 2.400 3.500 3.136 2.646 3.401 . 0 0 "[ . 1 . 2]" 2
4 1 6 ASP O 1 52 MET H 1.800 . 2.500 2.344 1.856 2.502 0.002 17 0 "[ . 1 . 2]" 2
5 1 8 ILE N 1 50 THR O 2.800 2.400 3.500 3.073 2.786 3.377 . 0 0 "[ . 1 . 2]" 2
6 1 8 ILE H 1 50 THR O 1.800 . 2.500 2.287 1.927 2.504 0.004 14 0 "[ . 1 . 2]" 2
7 1 8 ILE O 1 50 THR N 2.800 2.400 3.500 3.073 2.662 3.427 . 0 0 "[ . 1 . 2]" 2
8 1 8 ILE O 1 50 THR H 1.800 . 2.500 2.232 1.867 2.501 0.001 19 0 "[ . 1 . 2]" 2
9 1 9 ILE N 1 205 TYR O 2.800 2.400 3.500 3.051 2.749 3.436 . 0 0 "[ . 1 . 2]" 2
10 1 9 ILE H 1 205 TYR O 1.800 . 2.500 2.138 1.892 2.503 0.003 9 0 "[ . 1 . 2]" 2
11 1 9 ILE O 1 205 TYR N 2.800 2.400 3.500 2.862 2.583 3.121 . 0 0 "[ . 1 . 2]" 2
12 1 9 ILE O 1 205 TYR H 1.800 . 2.500 2.017 1.725 2.379 . 0 0 "[ . 1 . 2]" 2
13 1 10 ARG N 1 48 THR O 2.800 2.400 3.500 3.019 2.657 3.385 . 0 0 "[ . 1 . 2]" 2
14 1 10 ARG H 1 48 THR O 1.800 . 2.500 2.143 1.712 2.503 0.003 19 0 "[ . 1 . 2]" 2
15 1 10 ARG O 1 48 THR N 2.800 2.400 3.500 2.879 2.587 3.474 . 0 0 "[ . 1 . 2]" 2
16 1 10 ARG O 1 48 THR H 1.800 . 2.500 2.064 1.809 2.502 0.002 4 0 "[ . 1 . 2]" 2
17 1 11 GLY N 1 203 PHE O 2.800 2.400 3.500 2.858 2.600 3.460 . 0 0 "[ . 1 . 2]" 2
18 1 11 GLY H 1 203 PHE O 1.800 . 2.500 1.956 1.662 2.489 . 0 0 "[ . 1 . 2]" 2
19 1 11 GLY O 1 203 PHE N 2.800 2.400 3.500 2.952 2.595 3.275 . 0 0 "[ . 1 . 2]" 2
20 1 11 GLY O 1 203 PHE H 1.800 . 2.500 2.186 1.673 2.506 0.006 12 0 "[ . 1 . 2]" 2
21 1 12 GLY N 1 46 GLY O 2.800 2.400 3.500 2.823 2.586 3.164 . 0 0 "[ . 1 . 2]" 2
22 1 12 GLY H 1 46 GLY O 1.800 . 2.500 1.979 1.679 2.499 . 0 0 "[ . 1 . 2]" 2
23 1 12 GLY O 1 46 GLY N 2.800 2.400 3.500 2.926 2.594 3.438 . 0 0 "[ . 1 . 2]" 2
24 1 12 GLY O 1 46 GLY H 1.800 . 2.500 2.201 1.785 2.507 0.007 12 0 "[ . 1 . 2]" 2
25 1 13 PHE N 1 201 ILE O 2.800 2.400 3.500 2.928 2.588 3.281 . 0 0 "[ . 1 . 2]" 2
26 1 13 PHE H 1 201 ILE O 1.800 . 2.500 2.079 1.819 2.500 0.000 2 0 "[ . 1 . 2]" 2
27 1 13 PHE O 1 201 ILE N 2.800 2.400 3.500 3.290 2.994 3.479 . 0 0 "[ . 1 . 2]" 2
28 1 13 PHE O 1 201 ILE H 1.800 . 2.500 2.350 2.071 2.502 0.002 13 0 "[ . 1 . 2]" 2
29 1 56 LYS O 1 99 TYR N 2.800 2.400 3.500 3.390 3.179 3.479 . 0 0 "[ . 1 . 2]" 2
30 1 56 LYS O 1 99 TYR H 1.800 . 2.500 2.478 2.247 2.512 0.012 5 0 "[ . 1 . 2]" 2
31 1 53 PHE N 1 57 TRP O 2.800 2.400 3.500 3.092 2.848 3.384 . 0 0 "[ . 1 . 2]" 2
32 1 53 PHE H 1 57 TRP O 1.800 . 2.500 2.277 2.042 2.500 . 1 0 "[ . 1 . 2]" 2
33 1 53 PHE O 1 57 TRP N 2.800 2.400 3.500 2.898 2.811 3.135 . 0 0 "[ . 1 . 2]" 2
34 1 53 PHE O 1 57 TRP H 1.800 . 2.500 2.221 2.162 2.326 . 0 0 "[ . 1 . 2]" 2
35 1 58 GLY N 1 97 GLN O 2.800 2.400 3.500 2.981 2.598 3.287 . 0 0 "[ . 1 . 2]" 2
36 1 58 GLY H 1 97 GLN O 1.800 . 2.500 2.492 2.341 2.515 0.015 18 0 "[ . 1 . 2]" 2
37 1 58 GLY O 1 97 GLN N 2.800 2.400 3.500 2.719 2.571 3.139 . 0 0 "[ . 1 . 2]" 2
38 1 58 GLY O 1 97 GLN H 1.800 . 2.500 1.951 1.638 2.502 0.002 17 0 "[ . 1 . 2]" 2
39 1 51 TYR N 1 59 VAL O 2.800 2.400 3.500 2.719 2.565 3.132 . 0 0 "[ . 1 . 2]" 2
40 1 51 TYR H 1 59 VAL O 1.800 . 2.500 1.795 1.645 2.278 . 0 0 "[ . 1 . 2]" 2
41 1 51 TYR O 1 59 VAL N 2.800 2.400 3.500 3.159 2.646 3.465 . 0 0 "[ . 1 . 2]" 2
42 1 51 TYR O 1 59 VAL H 1.800 . 2.500 2.272 1.693 2.515 0.015 18 0 "[ . 1 . 2]" 2
43 1 60 GLU N 1 95 LEU O 2.800 2.400 3.500 3.049 2.793 3.368 . 0 0 "[ . 1 . 2]" 2
44 1 60 GLU H 1 95 LEU O 1.800 . 2.500 2.153 1.848 2.504 0.004 9 0 "[ . 1 . 2]" 2
45 1 60 GLU O 1 95 LEU N 2.800 2.400 3.500 3.004 2.704 3.329 . 0 0 "[ . 1 . 2]" 2
46 1 60 GLU O 1 95 LEU H 1.800 . 2.500 2.191 1.861 2.504 0.004 1 0 "[ . 1 . 2]" 2
47 1 49 PHE N 1 61 LEU O 2.800 2.400 3.500 3.220 2.776 3.387 . 0 0 "[ . 1 . 2]" 2
48 1 49 PHE H 1 61 LEU O 1.800 . 2.500 2.374 1.985 2.504 0.004 15 0 "[ . 1 . 2]" 2
49 1 49 PHE O 1 61 LEU N 2.800 2.400 3.500 3.052 2.656 3.312 . 0 0 "[ . 1 . 2]" 2
50 1 49 PHE O 1 61 LEU H 1.800 . 2.500 2.193 1.775 2.502 0.002 5 0 "[ . 1 . 2]" 2
51 1 62 VAL N 1 93 THR O 2.800 2.400 3.500 3.200 2.804 3.437 . 0 0 "[ . 1 . 2]" 2
52 1 62 VAL H 1 93 THR O 1.800 . 2.500 2.305 1.875 2.504 0.004 15 0 "[ . 1 . 2]" 2
53 1 47 LEU O 1 63 ALA N 2.800 2.400 3.500 2.923 2.698 3.228 . 0 0 "[ . 1 . 2]" 2
54 1 47 LEU O 1 63 ALA H 1.800 . 2.500 2.241 1.888 2.501 0.001 7 0 "[ . 1 . 2]" 2
55 1 47 LEU N 1 63 ALA O 2.800 2.400 3.500 2.962 2.698 3.407 . 0 0 "[ . 1 . 2]" 2
56 1 47 LEU H 1 63 ALA O 1.800 . 2.500 2.090 1.737 2.500 . 0 0 "[ . 1 . 2]" 2
57 1 109 GLN N 1 153 ASP O 2.800 2.400 3.500 3.177 2.751 3.484 . 0 0 "[ . 1 . 2]" 2
58 1 109 GLN H 1 153 ASP O 1.800 . 2.500 2.267 1.946 2.504 0.004 20 0 "[ . 1 . 2]" 2
59 1 109 GLN O 1 153 ASP N 2.800 2.400 3.500 3.241 2.843 3.449 . 0 0 "[ . 1 . 2]" 2
60 1 109 GLN O 1 153 ASP H 1.800 . 2.500 2.347 1.981 2.509 0.009 1 0 "[ . 1 . 2]" 2
61 1 111 TYR N 1 151 GLY O 2.800 2.400 3.500 3.009 2.598 3.410 . 0 0 "[ . 1 . 2]" 2
62 1 111 TYR H 1 151 GLY O 1.800 . 2.500 2.179 1.779 2.502 0.002 3 0 "[ . 1 . 2]" 2
63 1 111 TYR O 1 151 GLY N 2.800 2.400 3.500 3.088 2.621 3.451 . 0 0 "[ . 1 . 2]" 2
64 1 111 TYR O 1 151 GLY H 1.800 . 2.500 2.173 1.689 2.487 . 0 0 "[ . 1 . 2]" 2
65 1 98 TYR N 1 112 GLY O 2.800 2.400 3.500 2.960 2.595 3.390 . 0 0 "[ . 1 . 2]" 2
66 1 98 TYR H 1 112 GLY O 1.800 . 2.500 2.067 1.672 2.505 0.005 5 0 "[ . 1 . 2]" 2
67 1 98 TYR O 1 112 GLY N 2.800 2.400 3.500 3.040 2.765 3.449 . 0 0 "[ . 1 . 2]" 2
68 1 98 TYR O 1 112 GLY H 1.800 . 2.500 2.177 1.890 2.508 0.008 11 0 "[ . 1 . 2]" 2
69 1 113 GLY N 1 149 GLU O 2.800 2.400 3.500 2.993 2.601 3.439 . 0 0 "[ . 1 . 2]" 2
70 1 113 GLY H 1 149 GLU O 1.800 . 2.500 2.228 1.781 2.508 0.008 11 0 "[ . 1 . 2]" 2
71 1 113 GLY O 1 149 GLU N 2.800 2.400 3.500 2.949 2.598 3.421 . 0 0 "[ . 1 . 2]" 2
72 1 113 GLY O 1 149 GLU H 1.800 . 2.500 2.085 1.686 2.502 0.002 6 0 "[ . 1 . 2]" 2
73 1 96 LEU N 1 114 LEU O 2.800 2.400 3.500 2.778 2.603 3.050 . 0 0 "[ . 1 . 2]" 2
74 1 96 LEU H 1 114 LEU O 1.800 . 2.500 1.933 1.678 2.361 . 0 0 "[ . 1 . 2]" 2
75 1 96 LEU O 1 114 LEU N 2.800 2.400 3.500 2.881 2.698 3.334 . 0 0 "[ . 1 . 2]" 2
76 1 96 LEU O 1 114 LEU H 1.800 . 2.500 2.093 1.781 2.504 0.004 13 0 "[ . 1 . 2]" 2
77 1 115 GLY N 1 147 ALA O 2.800 2.400 3.500 2.990 2.600 3.458 . 0 0 "[ . 1 . 2]" 2
78 1 115 GLY H 1 147 ALA O 1.800 . 2.500 2.115 1.694 2.502 0.002 15 0 "[ . 1 . 2]" 2
79 1 94 LEU O 1 116 VAL N 2.800 2.400 3.500 3.355 2.992 3.477 . 0 0 "[ . 1 . 2]" 2
80 1 94 LEU O 1 116 VAL H 1.800 . 2.500 2.435 2.073 2.504 0.004 10 0 "[ . 1 . 2]" 2
81 1 156 LEU N 1 160 ALA O 2.800 2.400 3.500 3.185 2.749 3.452 . 0 0 "[ . 1 . 2]" 2
82 1 156 LEU H 1 160 ALA O 1.800 . 2.500 2.331 1.888 2.508 0.008 2 0 "[ . 1 . 2]" 2
83 1 161 LEU N 1 204 GLY O 2.800 2.400 3.500 2.997 2.596 3.408 . 0 0 "[ . 1 . 2]" 2
84 1 161 LEU H 1 204 GLY O 1.800 . 2.500 2.098 1.800 2.503 0.003 3 0 "[ . 1 . 2]" 2
85 1 161 LEU O 1 204 GLY N 2.800 2.400 3.500 2.681 2.534 2.894 . 0 0 "[ . 1 . 2]" 2
86 1 161 LEU O 1 204 GLY H 1.800 . 2.500 1.884 1.688 2.102 . 0 0 "[ . 1 . 2]" 2
87 1 154 TYR O 1 162 PHE N 2.800 2.400 3.500 2.837 2.593 3.226 . 0 0 "[ . 1 . 2]" 2
88 1 154 TYR O 1 162 PHE H 1.800 . 2.500 1.967 1.710 2.389 . 0 0 "[ . 1 . 2]" 2
89 1 154 TYR N 1 162 PHE O 2.800 2.400 3.500 2.791 2.591 3.046 . 0 0 "[ . 1 . 2]" 2
90 1 154 TYR H 1 162 PHE O 1.800 . 2.500 1.933 1.696 2.304 . 0 0 "[ . 1 . 2]" 2
91 1 163 ASN N 1 202 GLY O 2.800 2.400 3.500 3.039 2.664 3.385 . 0 0 "[ . 1 . 2]" 2
92 1 163 ASN H 1 202 GLY O 1.800 . 2.500 2.118 1.707 2.500 . 0 0 "[ . 1 . 2]" 2
93 1 163 ASN O 1 202 GLY N 2.800 2.400 3.500 3.161 2.650 3.466 . 0 0 "[ . 1 . 2]" 2
94 1 163 ASN O 1 202 GLY H 1.800 . 2.500 2.271 1.702 2.506 0.006 4 0 "[ . 1 . 2]" 2
95 1 152 PHE O 1 164 MET N 2.800 2.400 3.500 2.994 2.718 3.316 . 0 0 "[ . 1 . 2]" 2
96 1 152 PHE O 1 164 MET H 1.800 . 2.500 2.195 1.826 2.503 0.003 12 0 "[ . 1 . 2]" 2
97 1 152 PHE N 1 164 MET O 2.800 2.400 3.500 3.129 2.621 3.362 . 0 0 "[ . 1 . 2]" 2
98 1 152 PHE H 1 164 MET O 1.800 . 2.500 2.302 1.694 2.502 0.002 8 0 "[ . 1 . 2]" 2
99 1 165 ALA N 1 200 MET O 2.800 2.400 3.500 2.940 2.613 3.449 . 0 0 "[ . 1 . 2]" 2
100 1 165 ALA H 1 200 MET O 1.800 . 2.500 2.130 1.682 2.502 0.002 13 0 "[ . 1 . 2]" 2
101 1 165 ALA O 1 200 MET N 2.800 2.400 3.500 3.275 3.059 3.442 . 0 0 "[ . 1 . 2]" 2
102 1 165 ALA O 1 200 MET H 1.800 . 2.500 2.395 2.169 2.503 0.003 5 0 "[ . 1 . 2]" 2
103 1 150 LEU O 1 166 VAL N 2.800 2.400 3.500 3.044 2.738 3.380 . 0 0 "[ . 1 . 2]" 2
104 1 150 LEU O 1 166 VAL H 1.800 . 2.500 2.143 1.797 2.500 . 0 0 "[ . 1 . 2]" 2
105 1 150 LEU N 1 166 VAL O 2.800 2.400 3.500 3.246 2.966 3.417 . 0 0 "[ . 1 . 2]" 2
106 1 150 LEU H 1 166 VAL O 1.800 . 2.500 2.329 2.064 2.502 0.002 13 0 "[ . 1 . 2]" 2
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