NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
642858 |
6poj   |
26805 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6poj
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 181
_Distance_constraint_stats_list.Viol_count 1174
_Distance_constraint_stats_list.Viol_total 1024.245
_Distance_constraint_stats_list.Viol_max 0.351
_Distance_constraint_stats_list.Viol_rms 0.0720
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0566
_Distance_constraint_stats_list.Viol_average_violations_only 0.0872
_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 13 ALA 1.537 0.167 5 0 "[ . 1]"
1 15 VAL 4.768 0.186 5 0 "[ . 1]"
1 17 GLU 2.727 0.173 2 0 "[ . 1]"
1 18 PHE 3.358 0.184 8 0 "[ . 1]"
1 19 LEU 2.855 0.186 5 0 "[ . 1]"
1 20 ALA 2.575 0.176 6 0 "[ . 1]"
1 21 THR 0.537 0.094 7 0 "[ . 1]"
1 22 THR 0.775 0.091 1 0 "[ . 1]"
1 23 LEU 0.100 0.021 6 0 "[ . 1]"
1 24 PHE 0.838 0.116 5 0 "[ . 1]"
1 26 PHE 0.028 0.019 6 0 "[ . 1]"
1 27 ILE 2.358 0.159 5 0 "[ . 1]"
1 28 SER 0.770 0.116 5 0 "[ . 1]"
1 29 ILE 2.240 0.159 5 0 "[ . 1]"
1 31 SER 0.053 0.022 8 0 "[ . 1]"
1 32 ALA 0.082 0.024 2 0 "[ . 1]"
1 33 LEU 0.009 0.006 1 0 "[ . 1]"
1 34 GLY 2.249 0.141 1 0 "[ . 1]"
1 35 PHE 0.053 0.022 8 0 "[ . 1]"
1 36 LYS 2.323 0.141 1 0 "[ . 1]"
1 37 TYR 0.000 0.000 . 0 "[ . 1]"
1 39 VAL 0.073 0.031 8 0 "[ . 1]"
1 47 GLN 0.090 0.040 2 0 "[ . 1]"
1 48 ASP 0.191 0.036 3 0 "[ . 1]"
1 49 ASN 0.761 0.068 7 0 "[ . 1]"
1 50 VAL 0.269 0.049 4 0 "[ . 1]"
1 51 LYS 1.723 0.166 4 0 "[ . 1]"
1 53 SER 0.000 0.000 . 0 "[ . 1]"
1 55 ALA 1.442 0.166 4 0 "[ . 1]"
1 56 PHE 0.284 0.046 1 0 "[ . 1]"
1 58 LEU 1.333 0.223 1 0 "[ . 1]"
1 59 SER 1.543 0.149 9 0 "[ . 1]"
1 60 ILE 1.272 0.223 1 0 "[ . 1]"
1 61 ALA 2.969 0.179 6 0 "[ . 1]"
1 62 THR 3.626 0.185 6 0 "[ . 1]"
1 63 LEU 1.535 0.179 6 0 "[ . 1]"
1 64 ALA 1.955 0.121 7 0 "[ . 1]"
1 65 GLN 2.470 0.185 6 0 "[ . 1]"
1 67 VAL 0.766 0.086 1 0 "[ . 1]"
1 71 SER 0.180 0.028 6 0 "[ . 1]"
1 72 GLY 1.059 0.112 2 0 "[ . 1]"
1 73 ALA 1.298 0.141 7 0 "[ . 1]"
1 74 HIS 1.059 0.112 2 0 "[ . 1]"
1 75 LEU 2.991 0.141 7 0 "[ . 1]"
1 77 PRO 0.080 0.029 6 0 "[ . 1]"
1 78 ALA 1.836 0.095 2 0 "[ . 1]"
1 94 ALA 1.464 0.161 2 0 "[ . 1]"
1 95 LEU 0.418 0.073 2 0 "[ . 1]"
1 96 MET 1.464 0.161 2 0 "[ . 1]"
1 98 ILE 0.418 0.073 2 0 "[ . 1]"
1 101 GLN 2.069 0.196 2 0 "[ . 1]"
1 103 VAL 4.970 0.196 2 0 "[ . 1]"
1 105 ALA 0.013 0.004 9 0 "[ . 1]"
1 106 ILE 2.213 0.150 5 0 "[ . 1]"
1 107 VAL 0.000 0.000 . 0 "[ . 1]"
1 108 ALA 0.803 0.091 1 0 "[ . 1]"
1 109 THR 0.001 0.001 2 0 "[ . 1]"
1 112 LEU 0.001 0.001 2 0 "[ . 1]"
1 113 SER 0.987 0.109 2 0 "[ . 1]"
1 114 GLY 0.000 0.000 . 0 "[ . 1]"
1 115 ILE 0.987 0.109 2 0 "[ . 1]"
1 116 THR 0.000 0.000 . 0 "[ . 1]"
1 120 THR 0.189 0.025 6 0 "[ . 1]"
1 122 ASN 0.189 0.025 6 0 "[ . 1]"
1 123 SER 0.040 0.010 5 0 "[ . 1]"
1 124 LEU 0.271 0.036 6 0 "[ . 1]"
1 125 GLY 0.249 0.040 7 0 "[ . 1]"
1 126 ARG 0.173 0.036 6 0 "[ . 1]"
1 127 ASN 0.093 0.022 10 0 "[ . 1]"
1 129 LEU 0.362 0.052 9 0 "[ . 1]"
1 130 ALA 1.129 0.089 4 0 "[ . 1]"
1 132 GLY 0.857 0.089 4 0 "[ . 1]"
1 133 VAL 3.424 0.307 4 0 "[ . 1]"
1 134 ASN 1.539 0.108 5 0 "[ . 1]"
1 135 SER 2.727 0.236 4 0 "[ . 1]"
1 136 GLY 2.998 0.307 4 0 "[ . 1]"
1 137 GLN 4.178 0.236 4 0 "[ . 1]"
1 138 GLY 1.383 0.164 3 0 "[ . 1]"
1 139 LEU 1.814 0.114 4 0 "[ . 1]"
1 140 GLY 0.296 0.043 7 0 "[ . 1]"
1 141 ILE 2.139 0.164 3 0 "[ . 1]"
1 142 GLU 2.170 0.126 1 0 "[ . 1]"
1 143 ILE 1.905 0.114 4 0 "[ . 1]"
1 144 ILE 1.050 0.126 7 0 "[ . 1]"
1 145 GLY 1.408 0.109 3 0 "[ . 1]"
1 146 THR 2.528 0.155 9 0 "[ . 1]"
1 147 LEU 0.219 0.031 7 0 "[ . 1]"
1 148 GLN 2.987 0.155 9 0 "[ . 1]"
1 149 LEU 1.521 0.104 1 0 "[ . 1]"
1 150 VAL 0.261 0.031 7 0 "[ . 1]"
1 152 CYS 0.190 0.038 6 0 "[ . 1]"
1 155 ALA 0.005 0.004 8 0 "[ . 1]"
1 157 THR 0.005 0.004 8 0 "[ . 1]"
1 167 SER 0.470 0.055 7 0 "[ . 1]"
1 168 ALA 0.272 0.050 1 0 "[ . 1]"
1 169 PRO 0.415 0.055 7 0 "[ . 1]"
1 170 LEU 0.055 0.022 2 0 "[ . 1]"
1 171 ALA 0.021 0.008 7 0 "[ . 1]"
1 172 ILE 0.461 0.050 1 0 "[ . 1]"
1 173 GLY 2.258 0.243 6 0 "[ . 1]"
1 174 LEU 0.020 0.008 7 0 "[ . 1]"
1 175 SER 3.970 0.243 6 0 "[ . 1]"
1 176 VAL 3.328 0.232 6 0 "[ . 1]"
1 177 ALA 0.154 0.057 4 0 "[ . 1]"
1 178 LEU 5.081 0.232 6 0 "[ . 1]"
1 179 GLY 1.186 0.133 10 0 "[ . 1]"
1 180 HIS 1.498 0.113 10 0 "[ . 1]"
1 181 LEU 2.258 0.170 6 0 "[ . 1]"
1 182 LEU 0.672 0.109 7 0 "[ . 1]"
1 183 ALA 1.108 0.127 5 0 "[ . 1]"
1 184 ILE 3.190 0.204 4 0 "[ . 1]"
1 185 ASP 3.497 0.258 4 0 "[ . 1]"
1 186 TYR 0.348 0.044 3 0 "[ . 1]"
1 187 THR 5.640 0.258 4 0 "[ . 1]"
1 188 GLY 4.438 0.333 5 0 "[ . 1]"
1 189 CYS 4.744 0.232 2 0 "[ . 1]"
1 190 GLY 7.380 0.333 5 0 "[ . 1]"
1 191 ILE 1.668 0.095 2 0 "[ . 1]"
1 192 ASN 1.979 0.173 7 0 "[ . 1]"
1 193 PRO 0.422 0.044 1 0 "[ . 1]"
1 195 ARG 1.916 0.136 3 0 "[ . 1]"
1 196 SER 1.097 0.086 4 0 "[ . 1]"
1 197 PHE 4.083 0.329 4 0 "[ . 1]"
1 200 ALA 3.189 0.329 4 0 "[ . 1]"
1 210 TRP 0.717 0.080 8 0 "[ . 1]"
1 211 ILE 0.000 0.000 . 0 "[ . 1]"
1 212 PHE 0.719 0.080 8 0 "[ . 1]"
1 213 TRP 0.000 0.000 . 0 "[ . 1]"
1 214 VAL 2.191 0.152 9 0 "[ . 1]"
1 216 PRO 1.702 0.152 9 0 "[ . 1]"
1 217 PHE 0.419 0.063 8 0 "[ . 1]"
1 218 ILE 4.012 0.351 3 0 "[ . 1]"
1 219 GLY 1.076 0.112 8 0 "[ . 1]"
1 220 GLY 2.049 0.258 8 0 "[ . 1]"
1 222 LEU 7.544 0.351 3 0 "[ . 1]"
1 223 ALA 0.415 0.112 8 0 "[ . 1]"
1 224 VAL 1.596 0.171 10 0 "[ . 1]"
1 226 ILE 0.437 0.116 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 ALA CA 1 15 VAL C 3.500 . 4.500 4.654 4.643 4.667 0.167 5 0 "[ . 1]" 1
2 1 15 VAL C 1 17 GLU CB 3.500 . 4.500 4.654 4.639 4.673 0.173 2 0 "[ . 1]" 1
3 1 15 VAL C 1 19 LEU CA 3.500 . 4.500 4.669 4.653 4.686 0.186 5 0 "[ . 1]" 1
4 1 17 GLU C 1 19 LEU CB 3.500 . 4.500 4.617 4.603 4.628 0.128 9 0 "[ . 1]" 1
5 1 17 GLU C 1 101 GLN CB 3.500 . 4.500 4.148 3.903 4.516 0.016 5 0 "[ . 1]" 1
6 1 18 PHE C 1 20 ALA CB 3.500 . 4.500 4.660 4.646 4.676 0.176 6 0 "[ . 1]" 1
7 1 18 PHE CA 1 103 VAL C 3.500 . 4.500 4.676 4.658 4.684 0.184 8 0 "[ . 1]" 1
8 1 18 PHE CB 1 103 VAL C 3.500 . 4.500 4.402 4.282 4.494 . 0 0 "[ . 1]" 1
9 1 20 ALA CB 1 74 HIS C 3.500 . 4.500 3.593 3.302 3.869 . 0 0 "[ . 1]" 1
10 1 20 ALA CB 1 75 LEU C 3.500 . 4.500 4.598 4.583 4.626 0.126 8 0 "[ . 1]" 1
11 1 21 THR CA 1 75 LEU C 3.500 . 4.500 4.554 4.525 4.594 0.094 7 0 "[ . 1]" 1
12 1 21 THR CB 1 75 LEU C 3.500 . 4.500 4.429 4.378 4.489 . 0 0 "[ . 1]" 1
13 1 21 THR CG2 1 75 LEU C 3.500 . 4.500 4.073 3.750 4.322 . 0 0 "[ . 1]" 1
14 1 22 THR CG2 1 108 ALA C 3.500 . 4.500 4.577 4.572 4.591 0.091 1 0 "[ . 1]" 1
15 1 23 LEU C 1 27 ILE CD1 3.500 . 4.500 4.410 4.111 4.521 0.021 6 0 "[ . 1]" 1
16 1 24 PHE C 1 27 ILE CD1 3.500 . 4.500 4.497 4.408 4.513 0.013 6 0 "[ . 1]" 1
17 1 24 PHE C 1 28 SER CA 3.500 . 4.500 4.577 4.540 4.616 0.116 5 0 "[ . 1]" 1
18 1 26 PHE CB 1 108 ALA C 3.500 . 4.500 4.391 4.174 4.519 0.019 6 0 "[ . 1]" 1
19 1 27 ILE C 1 29 ILE CA 3.500 . 4.500 4.021 4.000 4.047 . 0 0 "[ . 1]" 1
20 1 27 ILE C 1 29 ILE CB 3.500 . 4.500 4.575 4.558 4.594 0.094 10 0 "[ . 1]" 1
21 1 27 ILE C 1 29 ILE CG1 3.500 . 4.500 4.644 4.635 4.659 0.159 5 0 "[ . 1]" 1
22 1 29 ILE C 1 31 SER CA 3.500 . 4.500 4.262 4.229 4.316 . 0 0 "[ . 1]" 1
23 1 29 ILE C 1 33 LEU CG 3.500 . 4.500 4.418 4.271 4.506 0.006 1 0 "[ . 1]" 1
24 1 29 ILE CD1 1 195 ARG CZ 3.500 . 4.500 4.470 4.273 4.510 0.010 7 0 "[ . 1]" 1
25 1 29 ILE CG2 1 124 LEU C 3.500 . 4.500 4.334 4.121 4.507 0.007 8 0 "[ . 1]" 1
26 1 31 SER C 1 35 PHE CB 3.500 . 4.500 4.499 4.468 4.522 0.022 8 0 "[ . 1]" 1
27 1 32 ALA CB 1 124 LEU C 3.500 . 4.500 4.500 4.423 4.524 0.024 2 0 "[ . 1]" 1
28 1 34 GLY C 1 36 LYS CG 3.500 . 4.500 4.605 4.582 4.641 0.141 1 0 "[ . 1]" 1
29 1 34 GLY CA 1 36 LYS C 3.500 . 4.500 4.620 4.607 4.634 0.134 1 0 "[ . 1]" 1
30 1 34 GLY CA 1 37 TYR C 3.500 . 4.500 4.133 3.837 4.351 . 0 0 "[ . 1]" 1
31 1 36 LYS C 1 39 VAL CB 3.500 . 4.500 4.368 4.238 4.531 0.031 8 0 "[ . 1]" 1
32 1 47 GLN C 1 51 LYS CG 3.500 . 4.500 4.492 4.334 4.540 0.040 2 0 "[ . 1]" 1
33 1 48 ASP C 1 51 LYS CE 3.500 . 4.500 4.498 4.287 4.536 0.036 3 0 "[ . 1]" 1
34 1 48 ASP C 1 51 LYS CG 3.500 . 4.500 4.133 3.923 4.226 . 0 0 "[ . 1]" 1
35 1 49 ASN C 1 53 SER CB 3.500 . 4.500 4.313 4.141 4.494 . 0 0 "[ . 1]" 1
36 1 49 ASN C 1 181 LEU CG 3.500 . 4.500 4.521 4.512 4.530 0.030 10 0 "[ . 1]" 1
37 1 49 ASN CG 1 184 ILE CG2 3.500 . 4.500 4.555 4.546 4.568 0.068 7 0 "[ . 1]" 1
38 1 50 VAL C 1 181 LEU CD1 3.500 . 4.500 4.527 4.517 4.549 0.049 4 0 "[ . 1]" 1
39 1 51 LYS C 1 55 ALA CA 3.500 . 4.500 4.644 4.629 4.666 0.166 4 0 "[ . 1]" 1
40 1 56 PHE C 1 176 VAL CG1 3.500 . 4.500 4.528 4.512 4.546 0.046 1 0 "[ . 1]" 1
41 1 58 LEU C 1 60 ILE CB 3.500 . 4.500 4.627 4.613 4.723 0.223 1 0 "[ . 1]" 1
42 1 58 LEU C 1 61 ALA CA 3.500 . 4.500 4.150 4.129 4.169 . 0 0 "[ . 1]" 1
43 1 58 LEU C 1 61 ALA CB 3.500 . 4.500 3.663 3.644 3.696 . 0 0 "[ . 1]" 1
44 1 58 LEU C 1 62 THR CG2 3.500 . 4.500 4.500 4.437 4.520 0.020 1 0 "[ . 1]" 1
45 1 59 SER C 1 61 ALA CB 3.500 . 4.500 4.645 4.639 4.649 0.149 9 0 "[ . 1]" 1
46 1 59 SER C 1 62 THR CB 3.500 . 4.500 4.484 4.400 4.527 0.027 6 0 "[ . 1]" 1
47 1 59 SER C 1 62 THR CG2 3.500 . 4.500 4.400 4.247 4.501 0.001 2 0 "[ . 1]" 1
48 1 59 SER C 1 63 LEU CB 3.500 . 4.500 4.425 4.270 4.512 0.012 9 0 "[ . 1]" 1
49 1 61 ALA C 1 63 LEU CA 3.500 . 4.500 4.214 4.207 4.225 . 0 0 "[ . 1]" 1
50 1 61 ALA C 1 63 LEU CB 3.500 . 4.500 4.652 4.629 4.679 0.179 6 0 "[ . 1]" 1
51 1 62 THR C 1 64 ALA CB 3.500 . 4.500 4.612 4.609 4.621 0.121 7 0 "[ . 1]" 1
52 1 62 THR C 1 65 GLN CA 3.500 . 4.500 3.846 3.826 3.876 . 0 0 "[ . 1]" 1
53 1 62 THR CA 1 64 ALA C 3.500 . 4.500 4.565 4.560 4.572 0.072 5 0 "[ . 1]" 1
54 1 62 THR CA 1 65 GLN C 3.500 . 4.500 4.670 4.656 4.685 0.185 6 0 "[ . 1]" 1
55 1 64 ALA C 1 67 VAL CG2 3.500 . 4.500 3.757 3.435 3.835 . 0 0 "[ . 1]" 1
56 1 64 ALA CA 1 71 SER C 3.500 . 4.500 4.509 4.471 4.528 0.028 6 0 "[ . 1]" 1
57 1 64 ALA CB 1 71 SER C 3.500 . 4.500 4.412 4.342 4.523 0.023 7 0 "[ . 1]" 1
58 1 65 GLN C 1 67 VAL CG2 3.500 . 4.500 4.577 4.569 4.586 0.086 1 0 "[ . 1]" 1
59 1 72 GLY C 1 74 HIS CB 3.500 . 4.500 4.606 4.595 4.612 0.112 2 0 "[ . 1]" 1
60 1 73 ALA C 1 75 LEU CG 3.500 . 4.500 4.395 4.155 4.634 0.134 7 0 "[ . 1]" 1
61 1 73 ALA CB 1 75 LEU C 3.500 . 4.500 4.614 4.583 4.641 0.141 7 0 "[ . 1]" 1
62 1 75 LEU C 1 101 GLN CG 3.500 . 4.500 4.426 4.060 4.534 0.034 7 0 "[ . 1]" 1
63 1 77 PRO CG 1 193 PRO C 3.500 . 4.500 4.494 4.432 4.529 0.029 6 0 "[ . 1]" 1
64 1 78 ALA C 1 149 LEU CD2 3.500 . 4.500 4.558 4.549 4.571 0.071 7 0 "[ . 1]" 1
65 1 78 ALA C 1 150 VAL CG2 3.500 . 4.500 4.463 4.389 4.507 0.007 8 0 "[ . 1]" 1
66 1 78 ALA CB 1 191 ILE C 3.500 . 4.500 4.575 4.555 4.595 0.095 2 0 "[ . 1]" 1
67 1 78 ALA CB 1 192 ASN C 3.500 . 4.500 4.549 4.530 4.563 0.063 1 0 "[ . 1]" 1
68 1 94 ALA CA 1 96 MET C 3.500 . 4.500 4.646 4.639 4.661 0.161 2 0 "[ . 1]" 1
69 1 95 LEU C 1 98 ILE CD1 3.500 . 4.500 4.514 4.505 4.548 0.048 2 0 "[ . 1]" 1
70 1 95 LEU C 1 98 ILE CG2 3.500 . 4.500 4.528 4.509 4.573 0.073 2 0 "[ . 1]" 1
71 1 101 GLN CA 1 103 VAL C 3.500 . 4.500 4.688 4.682 4.696 0.196 2 0 "[ . 1]" 1
72 1 103 VAL C 1 105 ALA CA 3.500 . 4.500 4.487 4.436 4.504 0.004 9 0 "[ . 1]" 1
73 1 103 VAL C 1 106 ILE CB 3.500 . 4.500 4.401 4.341 4.435 . 0 0 "[ . 1]" 1
74 1 103 VAL C 1 106 ILE CG1 3.500 . 4.500 4.632 4.609 4.650 0.150 5 0 "[ . 1]" 1
75 1 103 VAL C 1 107 VAL CG2 3.500 . 4.500 4.390 4.199 4.484 . 0 0 "[ . 1]" 1
76 1 106 ILE CG1 1 197 PHE C 3.500 . 4.500 4.589 4.579 4.604 0.104 5 0 "[ . 1]" 1
77 1 109 THR C 1 112 LEU CB 3.500 . 4.500 4.272 4.140 4.501 0.001 2 0 "[ . 1]" 1
78 1 113 SER C 1 115 ILE CB 3.500 . 4.500 4.599 4.594 4.609 0.109 2 0 "[ . 1]" 1
79 1 114 GLY C 1 116 THR CA 3.500 . 4.500 4.262 4.233 4.332 . 0 0 "[ . 1]" 1
80 1 120 THR C 1 122 ASN CB 3.500 . 4.500 4.519 4.507 4.525 0.025 6 0 "[ . 1]" 1
81 1 123 SER C 1 125 GLY CA 3.500 . 4.500 4.479 4.394 4.510 0.010 5 0 "[ . 1]" 1
82 1 124 LEU C 1 126 ARG CB 3.500 . 4.500 4.517 4.504 4.536 0.036 6 0 "[ . 1]" 1
83 1 125 GLY CA 1 195 ARG CZ 3.500 . 4.500 4.521 4.515 4.540 0.040 7 0 "[ . 1]" 1
84 1 127 ASN C 1 129 LEU CD2 3.500 . 4.500 4.478 4.207 4.522 0.022 10 0 "[ . 1]" 1
85 1 129 LEU CG 1 134 ASN C 3.500 . 4.500 4.527 4.511 4.552 0.052 9 0 "[ . 1]" 1
86 1 130 ALA C 1 132 GLY CA 3.500 . 4.500 4.586 4.581 4.589 0.089 4 0 "[ . 1]" 1
87 1 130 ALA CB 1 185 ASP C 3.500 . 4.500 3.967 3.929 4.004 . 0 0 "[ . 1]" 1
88 1 130 ALA CB 1 186 TYR C 3.500 . 4.500 4.338 3.838 4.513 0.013 3 0 "[ . 1]" 1
89 1 130 ALA CB 1 187 THR C 3.500 . 4.500 4.525 4.514 4.535 0.035 9 0 "[ . 1]" 1
90 1 133 VAL CB 1 137 GLN C 3.500 . 4.500 4.056 4.024 4.086 . 0 0 "[ . 1]" 1
91 1 133 VAL CG1 1 135 SER C 3.500 . 4.500 4.543 4.520 4.552 0.052 6 0 "[ . 1]" 1
92 1 133 VAL CG1 1 136 GLY C 3.500 . 4.500 4.800 4.788 4.807 0.307 4 0 "[ . 1]" 1
93 1 133 VAL CG2 1 137 GLN C 3.500 . 4.500 3.774 3.731 3.827 . 0 0 "[ . 1]" 1
94 1 134 ASN C 1 137 GLN CB 3.500 . 4.500 4.067 4.037 4.092 . 0 0 "[ . 1]" 1
95 1 134 ASN C 1 137 GLN CG 3.500 . 4.500 4.536 4.529 4.541 0.041 6 0 "[ . 1]" 1
96 1 134 ASN C 1 187 THR CA 3.500 . 4.500 4.591 4.571 4.608 0.108 5 0 "[ . 1]" 1
97 1 135 SER C 1 137 GLN CB 3.500 . 4.500 4.729 4.720 4.736 0.236 4 0 "[ . 1]" 1
98 1 135 SER C 1 138 GLY CA 3.500 . 4.500 4.452 4.391 4.510 0.010 8 0 "[ . 1]" 1
99 1 137 GLN C 1 139 LEU CB 3.500 . 4.500 4.576 4.563 4.588 0.088 1 0 "[ . 1]" 1
100 1 137 GLN C 1 141 ILE CB 3.500 . 4.500 4.556 4.535 4.636 0.136 7 0 "[ . 1]" 1
101 1 137 GLN C 1 141 ILE CD1 3.500 . 4.500 4.521 4.511 4.546 0.046 7 0 "[ . 1]" 1
102 1 138 GLY CA 1 141 ILE C 3.500 . 4.500 4.637 4.615 4.664 0.164 3 0 "[ . 1]" 1
103 1 139 LEU C 1 142 GLU CB 3.500 . 4.500 4.479 4.346 4.529 0.029 1 0 "[ . 1]" 1
104 1 139 LEU C 1 143 ILE CB 3.500 . 4.500 4.596 4.579 4.614 0.114 4 0 "[ . 1]" 1
105 1 140 GLY C 1 143 ILE CD1 3.500 . 4.500 4.530 4.509 4.543 0.043 7 0 "[ . 1]" 1
106 1 142 GLU C 1 145 GLY CA 3.500 . 4.500 4.598 4.578 4.609 0.109 3 0 "[ . 1]" 1
107 1 142 GLU C 1 146 THR CA 3.500 . 4.500 4.609 4.588 4.626 0.126 1 0 "[ . 1]" 1
108 1 142 GLU C 1 146 THR CB 3.500 . 4.500 4.025 4.000 4.054 . 0 0 "[ . 1]" 1
109 1 143 ILE C 1 147 LEU CB 3.500 . 4.500 3.899 3.854 3.966 . 0 0 "[ . 1]" 1
110 1 143 ILE CG2 1 219 GLY C 3.500 . 4.500 4.565 4.549 4.576 0.076 1 0 "[ . 1]" 1
111 1 144 ILE C 1 148 GLN CB 3.500 . 4.500 4.605 4.594 4.626 0.126 7 0 "[ . 1]" 1
112 1 145 GLY C 1 191 ILE CD1 3.500 . 4.500 3.627 2.975 4.533 0.033 3 0 "[ . 1]" 1
113 1 145 GLY C 1 191 ILE CG2 3.500 . 4.500 4.322 3.427 4.558 0.058 5 0 "[ . 1]" 1
114 1 146 THR C 1 148 GLN CA 3.500 . 4.500 4.119 4.075 4.162 . 0 0 "[ . 1]" 1
115 1 146 THR C 1 148 GLN CG 3.500 . 4.500 4.641 4.605 4.655 0.155 9 0 "[ . 1]" 1
116 1 146 THR CG2 1 191 ILE C 3.500 . 4.500 4.330 4.170 4.514 0.014 5 0 "[ . 1]" 1
117 1 147 LEU C 1 150 VAL CB 3.500 . 4.500 4.522 4.506 4.531 0.031 7 0 "[ . 1]" 1
118 1 147 LEU CB 1 219 GLY C 3.500 . 4.500 3.810 3.663 3.903 . 0 0 "[ . 1]" 1
119 1 147 LEU CD1 1 219 GLY C 3.500 . 4.500 4.206 3.827 4.405 . 0 0 "[ . 1]" 1
120 1 148 GLN CG 1 175 SER C 3.500 . 4.500 4.553 4.535 4.587 0.087 6 0 "[ . 1]" 1
121 1 149 LEU CD1 1 176 VAL C 3.500 . 4.500 4.594 4.578 4.604 0.104 1 0 "[ . 1]" 1
122 1 150 VAL CG2 1 220 GLY C 3.500 . 4.500 4.367 4.172 4.513 0.013 8 0 "[ . 1]" 1
123 1 152 CYS C 1 172 ILE CB 3.500 . 4.500 4.508 4.393 4.538 0.038 6 0 "[ . 1]" 1
124 1 155 ALA C 1 157 THR CA 3.500 . 4.500 4.387 4.249 4.504 0.004 8 0 "[ . 1]" 1
125 1 167 SER C 1 169 PRO CG 3.500 . 4.500 4.536 4.449 4.555 0.055 7 0 "[ . 1]" 1
126 1 167 SER C 1 170 LEU CD1 3.500 . 4.500 4.462 4.064 4.522 0.022 2 0 "[ . 1]" 1
127 1 168 ALA C 1 171 ALA CB 3.500 . 4.500 4.236 4.052 4.501 0.001 2 0 "[ . 1]" 1
128 1 168 ALA C 1 172 ILE CB 3.500 . 4.500 4.509 4.383 4.550 0.050 1 0 "[ . 1]" 1
129 1 168 ALA C 1 172 ILE CG1 3.500 . 4.500 4.096 3.848 4.530 0.030 6 0 "[ . 1]" 1
130 1 171 ALA C 1 174 LEU CA 3.500 . 4.500 4.476 4.431 4.508 0.008 7 0 "[ . 1]" 1
131 1 172 ILE C 1 176 VAL CG2 3.500 . 4.500 4.219 3.906 4.364 . 0 0 "[ . 1]" 1
132 1 173 GLY CA 1 175 SER C 3.500 . 4.500 4.726 4.711 4.743 0.243 6 0 "[ . 1]" 1
133 1 175 SER C 1 179 GLY CA 3.500 . 4.500 4.619 4.600 4.633 0.133 10 0 "[ . 1]" 1
134 1 176 VAL C 1 178 LEU CB 3.500 . 4.500 4.710 4.691 4.732 0.232 6 0 "[ . 1]" 1
135 1 177 ALA C 1 180 HIS CB 3.500 . 4.500 3.724 3.644 3.813 . 0 0 "[ . 1]" 1
136 1 177 ALA C 1 181 LEU CB 3.500 . 4.500 4.513 4.479 4.557 0.057 4 0 "[ . 1]" 1
137 1 178 LEU C 1 180 HIS CB 3.500 . 4.500 4.601 4.581 4.613 0.113 10 0 "[ . 1]" 1
138 1 178 LEU C 1 181 LEU CD1 3.500 . 4.500 4.488 4.439 4.521 0.021 8 0 "[ . 1]" 1
139 1 178 LEU C 1 181 LEU CG 3.500 . 4.500 4.659 4.642 4.670 0.170 6 0 "[ . 1]" 1
140 1 178 LEU C 1 182 LEU CD2 3.500 . 4.500 4.011 3.481 4.517 0.017 10 0 "[ . 1]" 1
141 1 178 LEU C 1 182 LEU CG 3.500 . 4.500 4.526 4.469 4.609 0.109 7 0 "[ . 1]" 1
142 1 179 GLY C 1 181 LEU CA 3.500 . 4.500 4.403 4.356 4.423 . 0 0 "[ . 1]" 1
143 1 179 GLY C 1 191 ILE CD1 3.500 . 4.500 3.644 2.967 4.413 . 0 0 "[ . 1]" 1
144 1 180 HIS C 1 184 ILE CB 3.500 . 4.500 4.094 4.024 4.159 . 0 0 "[ . 1]" 1
145 1 180 HIS C 1 184 ILE CD1 3.500 . 4.500 4.318 3.922 4.492 . 0 0 "[ . 1]" 1
146 1 180 HIS C 1 184 ILE CG1 3.500 . 4.500 4.549 4.525 4.588 0.088 6 0 "[ . 1]" 1
147 1 182 LEU C 1 186 TYR CB 3.500 . 4.500 4.532 4.520 4.544 0.044 3 0 "[ . 1]" 1
148 1 183 ALA C 1 187 THR CG2 3.500 . 4.500 3.765 3.730 3.812 . 0 0 "[ . 1]" 1
149 1 183 ALA CB 1 190 GLY C 3.500 . 4.500 4.611 4.595 4.627 0.127 5 0 "[ . 1]" 1
150 1 184 ILE CB 1 189 CYS C 3.500 . 4.500 4.691 4.674 4.704 0.204 4 0 "[ . 1]" 1
151 1 184 ILE CG1 1 189 CYS C 3.500 . 4.500 4.171 4.104 4.250 . 0 0 "[ . 1]" 1
152 1 184 ILE CG2 1 188 GLY C 3.500 . 4.500 4.524 4.503 4.535 0.035 3 0 "[ . 1]" 1
153 1 185 ASP C 1 187 THR CG2 3.500 . 4.500 4.741 4.729 4.758 0.258 4 0 "[ . 1]" 1
154 1 185 ASP C 1 188 GLY CA 3.500 . 4.500 4.609 4.584 4.623 0.123 9 0 "[ . 1]" 1
155 1 187 THR CB 1 189 CYS C 3.500 . 4.500 4.708 4.686 4.732 0.232 2 0 "[ . 1]" 1
156 1 187 THR CG2 1 189 CYS C 3.500 . 4.500 3.939 3.876 3.989 . 0 0 "[ . 1]" 1
157 1 188 GLY C 1 190 GLY CA 3.500 . 4.500 4.810 4.788 4.833 0.333 5 0 "[ . 1]" 1
158 1 189 CYS C 1 196 SER CB 3.500 . 4.500 4.576 4.559 4.586 0.086 4 0 "[ . 1]" 1
159 1 190 GLY C 1 195 ARG CB 3.500 . 4.500 4.567 4.551 4.581 0.081 3 0 "[ . 1]" 1
160 1 190 GLY CA 1 192 ASN C 3.500 . 4.500 4.649 4.618 4.673 0.173 7 0 "[ . 1]" 1
161 1 190 GLY CA 1 195 ARG C 3.500 . 4.500 4.601 4.585 4.636 0.136 3 0 "[ . 1]" 1
162 1 191 ILE C 1 216 PRO CG 3.500 . 4.500 4.547 4.525 4.564 0.064 9 0 "[ . 1]" 1
163 1 193 PRO C 1 196 SER CB 3.500 . 4.500 4.534 4.522 4.544 0.044 1 0 "[ . 1]" 1
164 1 193 PRO CB 1 212 PHE C 3.500 . 4.500 4.216 4.006 4.502 0.002 2 0 "[ . 1]" 1
165 1 197 PHE CA 1 200 ALA C 3.500 . 4.500 4.819 4.808 4.829 0.329 4 0 "[ . 1]" 1
166 1 210 TRP C 1 212 PHE CB 3.500 . 4.500 4.572 4.566 4.580 0.080 8 0 "[ . 1]" 1
167 1 211 ILE C 1 214 VAL CG1 3.500 . 4.500 3.810 3.634 4.095 . 0 0 "[ . 1]" 1
168 1 212 PHE C 1 216 PRO CD 3.500 . 4.500 3.802 3.744 3.910 . 0 0 "[ . 1]" 1
169 1 212 PHE C 1 216 PRO CG 3.500 . 4.500 3.962 3.846 4.146 . 0 0 "[ . 1]" 1
170 1 213 TRP C 1 216 PRO CG 3.500 . 4.500 4.126 3.924 4.356 . 0 0 "[ . 1]" 1
171 1 214 VAL C 1 216 PRO CG 3.500 . 4.500 4.623 4.581 4.652 0.152 9 0 "[ . 1]" 1
172 1 214 VAL C 1 217 PHE CA 3.500 . 4.500 4.542 4.525 4.563 0.063 8 0 "[ . 1]" 1
173 1 214 VAL C 1 218 ILE CB 3.500 . 4.500 4.554 4.546 4.564 0.064 10 0 "[ . 1]" 1
174 1 218 ILE C 1 222 LEU CA 3.500 . 4.500 4.761 4.718 4.851 0.351 3 0 "[ . 1]" 1
175 1 218 ILE C 1 222 LEU CD1 3.500 . 4.500 4.483 4.130 4.627 0.127 6 0 "[ . 1]" 1
176 1 219 GLY C 1 222 LEU CB 3.500 . 4.500 4.300 3.823 4.504 0.004 9 0 "[ . 1]" 1
177 1 219 GLY C 1 222 LEU CD1 3.500 . 4.500 3.616 3.420 4.049 . 0 0 "[ . 1]" 1
178 1 219 GLY C 1 223 ALA CB 3.500 . 4.500 4.542 4.509 4.612 0.112 8 0 "[ . 1]" 1
179 1 220 GLY C 1 222 LEU CG 3.500 . 4.500 4.702 4.676 4.758 0.258 8 0 "[ . 1]" 1
180 1 222 LEU C 1 224 VAL CB 3.500 . 4.500 4.660 4.656 4.671 0.171 10 0 "[ . 1]" 1
181 1 222 LEU C 1 226 ILE CB 3.500 . 4.500 4.544 4.528 4.616 0.116 10 0 "[ . 1]" 1
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