NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
501528 |
2l5p   |
17279 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l5p
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 293
_Stereo_assign_list.Swap_count 60
_Stereo_assign_list.Swap_percentage 20.5
_Stereo_assign_list.Deassign_count 55
_Stereo_assign_list.Deassign_percentage 18.8
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 81.439
_Stereo_assign_list.Total_e_high_states 548.747
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 2 GLY QA 293 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 3 GLN QB 292 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 4 SER QB 291 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 5 PRO QB 280 no 35.0 50.3 0.001 0.003 0.001 2 0 no 0.141 0 0
1 5 PRO QD 283 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 5 PRO QG 276 yes 90.0 89.4 0.585 0.655 0.070 3 2 no 0.865 0 2
1 7 MET QB 282 no 50.0 45.8 0.029 0.062 0.034 2 1 no 0.424 0 0
1 7 MET QG 225 no 60.0 13.5 0.126 0.935 0.808 6 3 no 0.890 0 12
1 8 PRO QB 42 no 100.0 80.7 2.791 3.459 0.669 19 13 no 0.304 0 0
1 8 PRO QD 29 no 50.0 3.5 0.010 0.278 0.269 21 11 no 0.890 0 7
1 8 PRO QG 77 no 40.0 23.8 0.142 0.599 0.457 15 9 no 0.565 0 1
1 9 GLN QB 202 no 65.0 51.4 0.254 0.495 0.241 7 2 yes 0.973 0 13
1 9 GLN QE 287 no 100.0 64.8 0.015 0.024 0.008 2 2 no 0.000 0 0
1 9 GLN QG 159 yes 85.0 85.9 1.574 1.833 0.259 9 3 yes 1.292 2 4
1 10 GLY QA 219 no 95.0 79.7 0.001 0.001 0.000 6 2 no 0.058 0 0
1 11 PHE QB 114 yes 100.0 97.6 1.082 1.109 0.027 12 5 no 0.565 0 1
1 11 PHE QD 30 yes 100.0 99.9 28.259 28.294 0.035 21 14 no 0.760 0 1
1 11 PHE QE 87 yes 100.0 99.9 26.189 26.224 0.035 14 7 no 0.492 0 0
1 12 SER QB 210 no 70.0 29.0 0.020 0.070 0.050 6 0 no 0.498 0 0
1 13 GLN QB 252 no 70.0 76.6 0.503 0.657 0.154 4 0 yes 1.097 9 12
1 13 GLN QE 286 no 100.0 100.0 0.000 0.000 0.000 2 2 no 0.014 0 0
1 13 GLN QG 275 no 95.0 55.0 0.000 0.000 0.000 3 2 no 0.014 0 0
1 14 MET QB 211 no 100.0 99.9 0.706 0.707 0.001 6 1 no 0.094 0 0
1 14 MET QG 141 no 80.0 43.0 0.088 0.205 0.117 10 2 no 0.716 0 8
1 16 SER QB 158 no 60.0 59.2 1.377 2.325 0.948 9 3 yes 2.822 13 40
1 17 PHE QB 182 no 95.0 96.3 0.750 0.779 0.029 8 3 no 0.307 0 0
1 17 PHE QD 40 no 100.0 100.0 13.369 13.374 0.005 19 8 no 0.153 0 0
1 17 PHE QE 124 no 100.0 100.0 16.956 16.959 0.002 11 3 no 0.129 0 0
1 18 GLN QB 50 no 80.0 53.3 0.028 0.053 0.025 17 5 no 0.171 0 0
1 18 GLN QE 191 no 90.0 55.5 3.188 5.741 2.552 8 8 no 0.985 0 10
1 18 GLN QG 76 yes 80.0 62.4 1.351 2.164 0.813 15 9 yes 1.578 7 14
1 20 ASN QB 120 yes 100.0 99.2 0.247 0.249 0.002 12 8 no 0.139 0 0
1 20 ASN QD 122 no 75.0 36.1 0.033 0.092 0.059 12 11 no 0.653 0 1
1 21 LYS QB 61 no 95.0 66.7 0.506 0.759 0.253 16 10 yes 1.564 1 4
1 21 LYS QD 167 yes 75.0 60.0 1.165 1.941 0.776 9 6 yes 2.025 2 2
1 21 LYS QE 105 no 70.0 75.4 0.883 1.171 0.288 13 11 no 0.979 0 20
1 21 LYS QG 78 yes 95.0 90.5 1.941 2.146 0.205 15 10 no 0.782 0 7
1 22 PHE QB 73 no 35.0 26.0 2.173 8.360 6.187 15 6 yes 3.407 24 26
1 22 PHE QD 162 no 65.0 98.3 5.253 5.343 0.090 9 4 no 0.066 0 0
1 23 GLN QB 24 no 85.0 79.2 0.052 0.065 0.014 23 12 no 0.248 0 0
1 23 GLN QE 43 no 65.0 99.7 0.016 0.016 0.000 19 17 no 0.139 0 0
1 23 GLN QG 16 no 100.0 98.3 0.072 0.073 0.001 27 14 no 0.347 0 0
1 24 GLY QA 201 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 25 GLU QB 134 no 100.0 99.9 0.787 0.787 0.001 11 4 no 0.119 0 0
1 25 GLU QG 83 yes 100.0 71.8 0.103 0.144 0.040 14 5 no 0.228 0 0
1 26 TRP QB 94 no 95.0 99.3 0.064 0.064 0.000 13 5 no 0.432 0 0
1 27 PHE QB 175 no 5.0 100.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 27 PHE QD 195 no 95.0 99.9 0.626 0.626 0.000 7 1 no 0.078 0 0
1 28 VAL QG 72 no 100.0 86.8 1.844 2.125 0.281 15 6 yes 1.057 1 4
1 29 LEU QB 67 no 80.0 53.1 0.002 0.003 0.001 15 4 no 0.102 0 0
1 29 LEU QD 133 no 55.0 46.3 0.025 0.054 0.029 11 4 no 0.445 0 0
1 30 GLY QA 103 no 30.0 100.0 0.016 0.016 0.000 13 8 no 0.006 0 0
1 31 LEU QB 206 yes 100.0 80.9 0.874 1.080 0.207 7 4 no 0.122 0 0
1 31 LEU QD 15 no 95.0 74.3 12.165 16.370 4.204 30 17 yes 1.960 5 10
1 33 ASP QB 209 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 34 ASN QB 86 no 75.0 92.7 0.020 0.022 0.002 14 7 no 0.098 0 0
1 34 ASN QD 54 no 100.0 99.6 0.383 0.384 0.002 17 8 no 0.121 0 0
1 36 TYR QB 143 no 15.0 63.3 0.000 0.001 0.000 10 3 no 0.066 0 0
1 36 TYR QD 119 yes 90.0 96.6 10.161 10.518 0.357 12 8 no 0.991 0 4
1 36 TYR QE 89 yes 90.0 89.8 20.176 22.474 2.298 14 11 yes 2.804 3 4
1 37 LYS QB 59 no 70.0 65.8 0.232 0.353 0.121 16 7 no 0.857 0 3
1 37 LYS QD 228 no 65.0 57.1 0.465 0.813 0.349 6 4 no 0.857 0 5
1 37 LYS QE 279 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 LYS QG 101 yes 95.0 92.0 0.606 0.658 0.052 13 7 no 0.678 0 2
1 38 ARG QB 227 no 95.0 98.9 2.003 2.025 0.022 6 4 no 0.491 0 0
1 38 ARG QD 262 no 90.0 33.2 0.039 0.117 0.078 4 2 no 0.792 0 2
1 38 ARG QG 224 no 85.0 30.9 0.029 0.092 0.064 6 3 no 0.458 0 0
1 39 GLU QB 271 yes 90.0 92.0 0.314 0.342 0.027 3 1 no 0.577 0 1
1 39 GLU QG 200 no 80.0 84.5 0.531 0.628 0.098 7 2 no 0.913 0 2
1 40 HIS QB 84 no 55.0 50.5 0.603 1.195 0.592 14 6 no 0.678 0 3
1 41 ARG QB 151 no 90.0 88.9 0.093 0.104 0.012 10 6 no 0.181 0 0
1 41 ARG QD 150 yes 80.0 63.5 0.778 1.225 0.446 10 6 yes 1.068 1 6
1 41 ARG QG 223 no 40.0 56.5 0.006 0.011 0.005 6 3 no 0.263 0 0
1 42 PRO QB 100 no 95.0 90.8 0.774 0.852 0.078 13 7 no 0.098 0 0
1 42 PRO QD 37 no 80.0 50.2 0.546 1.089 0.543 20 16 no 0.263 0 0
1 42 PRO QG 245 yes 95.0 48.6 0.609 1.254 0.645 5 4 no 0.575 0 1
1 43 LEU QB 239 yes 100.0 100.0 0.280 0.280 0.000 5 2 no 0.000 0 0
1 43 LEU QD 34 no 100.0 98.9 5.900 5.965 0.065 20 10 no 0.523 0 1
1 44 LEU QB 146 no 100.0 100.0 0.002 0.002 0.000 10 4 no 0.188 0 0
1 44 LEU QD 285 yes 95.0 43.1 0.103 0.240 0.136 2 2 no 0.397 0 0
1 45 HIS QB 278 no 50.0 1.0 0.007 0.747 0.740 2 0 yes 1.063 9 20
1 46 SER QB 284 no 100.0 100.0 0.002 0.002 0.000 2 2 no 0.188 0 0
1 47 PHE QB 244 no 10.0 76.3 0.089 0.116 0.028 5 4 no 0.318 0 0
1 47 PHE QD 205 yes 80.0 68.8 1.645 2.392 0.747 7 3 yes 2.048 5 6
1 47 PHE QE 189 no 40.0 44.3 0.510 1.152 0.642 8 6 yes 1.561 1 1
1 48 ILE QG 138 no 100.0 85.5 1.915 2.241 0.326 10 1 yes 1.118 3 6
1 50 LEU QB 66 yes 100.0 100.0 0.327 0.327 0.000 15 4 no 0.000 0 0
1 50 LEU QD 11 no 100.0 95.1 0.984 1.034 0.050 34 17 no 0.438 0 0
1 51 PHE QB 33 no 100.0 0.0 0.000 0.000 0.000 20 5 no 0.000 0 0
1 51 PHE QD 132 no 100.0 100.0 2.714 2.714 0.000 11 4 no 0.000 0 0
1 51 PHE QE 168 no 100.0 100.0 3.130 3.130 0.000 9 7 no 0.000 0 0
1 52 LYS QB 131 yes 100.0 100.0 0.395 0.396 0.000 11 4 no 0.024 0 0
1 52 LYS QD 261 no 70.0 59.3 0.093 0.157 0.064 4 2 no 0.511 0 3
1 52 LYS QE 243 no 70.0 57.3 0.021 0.037 0.016 5 4 no 0.307 0 0
1 52 LYS QG 181 no 40.0 30.1 0.039 0.129 0.090 8 3 no 0.509 0 1
1 53 LEU QB 25 no 75.0 100.0 0.018 0.018 0.000 23 13 no 0.000 0 0
1 53 LEU QD 1 no 100.0 97.3 2.909 2.991 0.082 55 23 no 0.380 0 0
1 54 ARG QB 92 no 35.0 99.7 0.197 0.198 0.001 13 4 no 0.077 0 0
1 54 ARG QD 113 no 85.0 70.8 0.473 0.669 0.196 12 5 no 0.964 0 5
1 54 ARG QG 112 no 25.0 55.3 0.234 0.424 0.190 12 5 no 0.766 0 4
1 55 ASP QB 185 no 70.0 60.3 0.433 0.718 0.285 8 4 yes 1.508 8 9
1 56 ASN QB 218 yes 85.0 81.9 0.150 0.183 0.033 6 2 no 0.473 0 0
1 56 ASN QD 188 no 30.0 17.7 0.040 0.226 0.186 8 6 no 0.473 0 0
1 57 SER QB 241 no 35.0 33.2 0.325 0.980 0.655 5 3 no 0.502 0 1
1 58 GLU QB 140 no 100.0 99.4 0.454 0.457 0.003 10 2 no 0.165 0 0
1 58 GLU QG 46 yes 75.0 72.2 2.778 3.850 1.071 18 9 no 0.967 0 9
1 59 PHE QB 55 no 95.0 98.9 0.119 0.120 0.001 17 9 no 0.099 0 0
1 59 PHE QD 111 no 100.0 99.9 5.194 5.197 0.003 12 5 no 0.100 0 0
1 59 PHE QE 135 no 100.0 100.0 21.240 21.241 0.001 11 6 no 0.161 0 0
1 60 GLN QB 257 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 60 GLN QE 231 no 100.0 95.3 0.206 0.216 0.010 6 5 no 0.179 0 0
1 60 GLN QG 99 no 85.0 55.5 0.089 0.161 0.072 13 7 no 0.554 0 1
1 61 VAL QG 8 no 100.0 96.5 16.245 16.839 0.594 45 17 no 0.050 0 0
1 64 SER QB 171 no 45.0 7.0 0.035 0.494 0.459 8 1 no 0.877 0 10
1 65 MET QB 217 no 5.0 100.0 0.001 0.001 0.000 6 2 no 0.000 0 0
1 65 MET QG 149 no 55.0 49.8 0.170 0.341 0.171 10 5 yes 1.367 3 7
1 67 ARG QB 148 no 60.0 26.7 0.330 1.239 0.908 10 5 yes 1.241 17 20
1 67 ARG QD 187 no 65.0 18.3 0.301 1.642 1.342 8 5 no 0.921 0 12
1 67 ARG QG 216 no 55.0 43.8 0.052 0.119 0.067 6 2 no 0.668 0 2
1 68 GLY QA 174 no 100.0 100.0 0.038 0.038 0.000 8 2 no 0.000 0 0
1 69 LYS QB 184 no 100.0 100.0 0.001 0.001 0.000 8 4 no 0.123 0 0
1 69 LYS QD 256 no 60.0 89.7 1.056 1.177 0.121 4 1 no 0.791 0 2
1 69 LYS QE 274 no 90.0 21.6 0.013 0.060 0.047 3 2 no 0.123 0 0
1 69 LYS QG 215 no 70.0 43.6 0.737 1.689 0.952 6 2 yes 1.255 16 36
1 70 HIS QB 214 no 85.0 58.1 0.350 0.602 0.252 6 2 no 0.822 0 3
1 71 CYS QB 194 no 60.0 35.0 0.041 0.118 0.077 7 1 no 0.780 0 2
1 72 SER QB 233 no 50.0 55.6 0.194 0.349 0.155 5 0 no 0.933 0 10
1 74 TRP QB 192 yes 100.0 98.2 0.157 0.160 0.003 7 0 no 0.084 0 0
1 75 SER QB 71 yes 80.0 83.5 1.273 1.525 0.251 15 6 no 0.813 0 9
1 76 TYR QB 157 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 76 TYR QD 41 yes 100.0 98.7 14.604 14.797 0.193 19 10 no 0.977 0 5
1 76 TYR QE 290 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 78 LEU QB 27 no 40.0 100.0 0.003 0.003 0.000 22 13 no 0.000 0 0
1 78 LEU QD 2 no 100.0 92.6 10.145 10.958 0.813 55 29 no 0.056 0 0
1 79 ILE QG 45 no 90.0 44.0 0.334 0.760 0.426 18 5 yes 1.718 8 10
1 80 PRO QB 222 no 100.0 100.0 0.277 0.277 0.000 6 3 no 0.000 0 0
1 80 PRO QD 110 yes 90.0 72.8 0.103 0.142 0.039 12 5 no 0.680 0 1
1 80 PRO QG 98 no 100.0 59.9 4.339 7.243 2.904 13 7 no 0.502 0 1
1 82 ASN QB 260 no 85.0 98.3 0.311 0.316 0.005 4 2 no 0.123 0 0
1 82 ASN QD 230 no 90.0 68.3 0.209 0.306 0.097 6 5 no 0.123 0 0
1 83 LYS QB 49 no 100.0 47.9 0.290 0.605 0.315 18 13 no 0.646 0 3
1 83 LYS QD 208 no 40.0 5.4 0.031 0.586 0.554 7 6 no 0.325 0 0
1 83 LYS QE 104 no 55.0 9.4 0.192 2.049 1.857 13 9 yes 1.705 10 24
1 83 LYS QG 121 yes 95.0 94.2 0.988 1.050 0.061 12 9 yes 1.047 1 1
1 84 PRO QB 22 yes 80.0 65.4 0.466 0.713 0.247 23 10 yes 1.128 3 5
1 84 PRO QD 36 no 100.0 37.6 0.247 0.655 0.409 20 14 yes 1.134 4 8
1 84 PRO QG 204 no 100.0 100.0 0.025 0.025 0.000 7 3 no 0.000 0 0
1 85 GLY QA 58 no 20.0 86.1 0.004 0.004 0.001 16 7 no 0.000 0 0
1 86 GLN QB 28 no 50.0 23.7 0.164 0.690 0.526 21 10 no 0.578 0 5
1 86 GLN QE 62 yes 85.0 25.0 0.408 1.633 1.225 16 14 yes 1.835 1 4
1 86 GLN QG 97 yes 85.0 93.2 1.452 1.558 0.106 13 7 no 0.578 0 5
1 87 PHE QB 12 no 20.0 9.1 0.002 0.017 0.016 30 11 no 0.173 0 0
1 87 PHE QD 26 yes 100.0 99.9 8.889 8.895 0.006 22 11 no 0.108 0 0
1 87 PHE QE 207 yes 100.0 100.0 2.892 2.892 0.000 7 5 no 0.000 0 0
1 89 ARG QB 75 yes 100.0 96.7 0.153 0.158 0.005 15 7 no 0.117 0 0
1 89 ARG QD 21 no 55.0 36.1 0.459 1.272 0.813 24 14 no 0.276 0 0
1 89 ARG QG 109 no 50.0 84.3 0.519 0.616 0.097 12 5 yes 1.085 2 16
1 90 ASP QB 38 no 55.0 82.1 0.006 0.008 0.001 19 2 no 0.106 0 0
1 91 ASN QB 130 no 70.0 76.2 0.494 0.648 0.154 11 4 no 0.818 0 3
1 91 ASN QD 118 yes 90.0 92.5 0.666 0.720 0.054 12 7 no 0.815 0 2
1 92 ARG QB 251 yes 85.0 82.2 1.155 1.405 0.250 4 0 yes 1.412 1 5
1 92 ARG QD 270 no 55.0 0.9 0.001 0.137 0.136 3 1 no 0.323 0 0
1 92 ARG QG 236 no 60.0 8.0 0.038 0.473 0.435 5 1 yes 0.879 0 17
1 93 GLY QA 268 no 50.0 3.6 0.007 0.185 0.178 3 0 no 0.677 0 9
1 94 SER QB 199 no 40.0 54.9 0.425 0.774 0.349 7 2 no 0.958 0 10
1 95 GLY QA 255 no 80.0 82.1 0.002 0.002 0.000 4 1 no 0.178 0 0
1 96 PRO QB 213 no 100.0 100.0 0.004 0.004 0.000 6 2 no 0.171 0 0
1 96 PRO QD 161 no 80.0 94.8 0.497 0.525 0.028 9 4 no 0.274 0 0
1 96 PRO QG 269 no 95.0 98.3 0.014 0.015 0.000 3 1 no 0.274 0 0
1 97 GLY QA 267 no 75.0 4.7 0.011 0.239 0.228 3 0 yes 0.570 0 12
1 99 ASP QB 180 no 65.0 47.3 0.507 1.072 0.564 8 3 yes 1.095 13 27
1 100 LYS QB 212 yes 100.0 100.0 1.632 1.633 0.000 6 2 no 0.060 0 0
1 100 LYS QD 250 no 55.0 82.7 0.262 0.317 0.055 4 0 no 0.493 0 0
1 100 LYS QE 264 no 45.0 72.1 0.633 0.878 0.244 4 3 no 0.536 0 1
1 100 LYS QG 129 yes 85.0 83.0 1.125 1.356 0.231 11 4 yes 0.759 0 11
1 101 GLU QB 128 yes 100.0 95.3 0.189 0.198 0.009 11 4 no 0.276 0 0
1 101 GLU QG 179 no 100.0 99.9 0.665 0.666 0.001 8 3 no 0.088 0 0
1 102 ASN QB 93 yes 90.0 92.8 1.102 1.188 0.086 13 5 no 0.737 0 2
1 102 ASN QD 226 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 103 ILE QG 20 no 100.0 54.5 0.148 0.271 0.123 24 8 no 0.050 0 0
1 104 GLN QB 145 no 90.0 60.5 0.350 0.578 0.229 10 4 no 0.738 0 1
1 104 GLN QE 117 no 100.0 98.9 0.097 0.098 0.001 12 6 no 0.081 0 0
1 104 GLN QG 70 no 30.0 14.4 0.026 0.178 0.153 15 6 no 0.246 0 0
1 105 VAL QG 3 no 100.0 98.7 10.361 10.493 0.132 48 17 no 0.716 0 2
1 106 ILE QG 81 no 65.0 89.5 0.038 0.043 0.004 14 2 no 0.274 0 0
1 107 GLU QB 48 no 80.0 63.9 0.451 0.706 0.255 18 12 no 0.605 0 1
1 107 GLU QG 144 no 75.0 60.0 0.509 0.848 0.339 10 4 no 0.995 0 5
1 109 ASP QB 127 no 70.0 92.1 0.000 0.000 0.000 11 4 no 0.021 0 0
1 110 TYR QB 56 yes 95.0 65.9 0.177 0.268 0.091 17 10 yes 1.003 1 1
1 110 TYR QD 79 no 55.0 21.3 1.321 6.209 4.888 15 11 yes 1.861 11 23
1 110 TYR QE 259 no 60.0 0.9 0.060 6.431 6.372 4 2 yes 3.462 17 19
1 111 VAL QG 14 no 100.0 99.0 7.773 7.849 0.076 30 16 no 0.550 0 1
1 112 LYS QB 35 no 75.0 14.5 0.177 1.223 1.046 20 13 yes 2.471 5 8
1 112 LYS QD 166 yes 75.0 99.8 0.327 0.327 0.001 9 6 no 0.050 0 0
1 112 LYS QE 186 no 65.0 79.5 0.074 0.093 0.019 8 5 no 0.267 0 0
1 112 LYS QG 102 no 55.0 31.5 0.082 0.261 0.179 13 8 no 0.606 0 4
1 113 PHE QB 116 no 100.0 96.7 0.465 0.481 0.016 12 6 no 0.173 0 0
1 113 PHE QD 53 no 100.0 99.4 8.896 8.947 0.052 17 7 no 0.490 0 0
1 113 PHE QE 137 no 100.0 96.1 7.317 7.616 0.299 11 8 yes 1.442 3 4
1 115 LEU QB 52 no 25.0 19.6 0.003 0.016 0.013 17 6 no 0.171 0 0
1 115 LEU QD 7 no 100.0 98.4 14.548 14.783 0.235 46 26 no 0.577 0 1
1 116 VAL QG 90 no 95.0 94.5 3.516 3.718 0.203 13 3 yes 1.221 1 5
1 117 LEU QB 69 no 90.0 38.5 0.014 0.036 0.022 15 6 no 0.385 0 0
1 117 LEU QD 10 no 95.0 90.8 8.985 9.896 0.912 36 23 yes 1.540 2 4
1 118 SER QB 57 no 55.0 47.1 0.762 1.618 0.856 16 6 yes 0.920 0 18
1 119 LEU QB 142 no 100.0 100.0 0.022 0.022 0.000 10 3 no 0.404 0 0
1 119 LEU QD 13 no 100.0 93.4 5.287 5.658 0.371 30 12 no 0.737 0 5
1 120 ARG QB 126 no 60.0 20.2 0.029 0.144 0.115 11 4 no 0.479 0 0
1 120 ARG QD 156 no 40.0 16.0 0.033 0.209 0.175 9 3 no 0.489 0 0
1 120 ARG QG 178 yes 100.0 97.6 0.239 0.245 0.006 8 3 no 0.133 0 0
1 121 GLN QB 165 no 65.0 28.8 0.068 0.237 0.168 9 6 no 0.231 0 0
1 121 GLN QE 247 no 45.0 90.8 0.039 0.043 0.004 5 5 no 0.231 0 0
1 121 GLN QG 108 yes 95.0 63.8 2.785 4.365 1.580 12 5 yes 1.099 1 17
1 123 SER QB 203 no 55.0 7.5 0.102 1.375 1.273 7 3 yes 1.813 11 23
1 124 ASN QB 147 yes 75.0 40.5 0.315 0.778 0.463 10 5 yes 1.350 3 4
1 124 ASN QD 242 no 85.0 65.4 1.102 1.685 0.583 5 4 no 0.642 0 2
1 125 GLN QB 160 no 85.0 65.1 0.066 0.102 0.036 9 4 no 0.000 0 0
1 125 GLN QE 163 no 80.0 95.6 1.713 1.792 0.079 9 5 no 0.877 0 3
1 125 GLN QG 68 yes 90.0 88.2 2.426 2.750 0.324 15 6 yes 1.731 5 7
1 126 ASN QB 125 yes 80.0 87.4 1.410 1.614 0.204 11 4 no 0.968 0 4
1 126 ASN QD 246 no 100.0 97.4 0.211 0.216 0.006 5 5 no 0.336 0 0
1 127 ILE QG 39 no 100.0 99.3 0.316 0.318 0.002 19 5 no 0.898 0 2
1 129 ARG QB 173 no 95.0 97.6 2.203 2.256 0.053 8 2 no 0.301 0 0
1 129 ARG QD 221 no 60.0 10.7 0.005 0.044 0.039 6 3 no 0.301 0 0
1 129 ARG QG 198 yes 90.0 93.6 0.864 0.923 0.059 7 2 no 0.500 0 0
1 130 VAL QG 19 no 100.0 99.7 1.166 1.170 0.004 25 8 no 0.264 0 0
1 131 SER QB 82 yes 85.0 81.7 3.096 3.790 0.694 14 5 yes 1.600 3 12
1 132 LEU QB 51 no 100.0 0.0 0.000 0.000 0.000 17 6 no 0.000 0 0
1 132 LEU QD 5 no 100.0 96.6 9.420 9.754 0.334 46 18 no 0.372 0 0
1 133 LEU QB 85 no 100.0 97.4 1.662 1.707 0.044 14 7 no 0.000 0 0
1 133 LEU QD 4 no 100.0 89.0 2.219 2.494 0.275 47 11 no 0.432 0 0
1 134 GLY QA 63 no 85.0 98.4 0.421 0.427 0.007 15 0 no 0.291 0 0
1 135 ARG QB 254 no 85.0 65.7 0.003 0.005 0.002 4 1 no 0.179 0 0
1 135 ARG QG 193 no 85.0 65.4 0.018 0.028 0.010 7 1 no 0.700 0 1
1 136 ASP QB 235 no 55.0 45.4 0.127 0.280 0.153 5 1 yes 1.013 1 11
1 137 TRP QB 155 no 20.0 100.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 138 LYS QB 238 no 95.0 94.1 0.005 0.006 0.000 5 2 no 0.000 0 0
1 138 LYS QD 220 no 40.0 45.3 0.122 0.269 0.147 6 3 no 0.811 0 3
1 138 LYS QE 263 no 50.0 66.7 0.182 0.273 0.091 4 3 no 0.841 0 1
1 138 LYS QG 177 no 70.0 71.8 0.203 0.283 0.080 8 3 yes 1.631 1 3
1 139 ILE QG 44 no 90.0 99.5 0.153 0.154 0.001 18 0 no 0.128 0 0
1 141 HIS QB 80 no 75.0 100.0 0.003 0.003 0.000 14 1 no 0.000 0 0
1 142 LYS QB 139 no 75.0 52.5 0.025 0.047 0.022 10 2 no 0.361 0 0
1 142 LYS QD 266 yes 75.0 49.6 0.268 0.539 0.272 3 0 yes 1.084 4 5
1 142 LYS QE 273 no 35.0 18.9 0.197 1.040 0.844 3 2 yes 1.126 3 5
1 142 LYS QG 265 no 40.0 100.0 0.097 0.097 0.000 3 0 no 0.000 0 0
1 144 ILE QG 31 yes 100.0 100.0 0.567 0.567 0.000 20 2 no 0.006 0 0
1 145 ASP QB 169 yes 90.0 65.0 0.679 1.045 0.366 8 0 yes 1.553 3 5
1 146 ARG QB 107 no 100.0 99.8 0.118 0.118 0.000 12 2 no 0.032 0 0
1 146 ARG QG 176 no 65.0 74.6 0.349 0.468 0.119 8 3 yes 0.893 0 12
1 147 PHE QB 47 no 100.0 0.0 0.000 0.000 0.000 18 10 no 0.000 0 0
1 147 PHE QD 88 yes 100.0 100.0 7.682 7.682 0.000 14 8 no 0.000 0 0
1 147 PHE QE 123 yes 100.0 100.0 0.988 0.988 0.000 11 2 no 0.032 0 0
1 148 ILE QG 32 yes 100.0 23.0 0.473 2.055 1.582 20 3 no 0.015 0 0
1 150 LEU QB 60 no 100.0 95.4 0.007 0.007 0.000 16 8 no 0.088 0 0
1 150 LEU QD 6 no 100.0 79.8 6.237 7.820 1.582 46 25 no 0.442 0 0
1 152 LYS QB 106 yes 100.0 99.8 2.532 2.538 0.006 12 2 no 0.114 0 0
1 152 LYS QD 170 no 100.0 99.3 0.516 0.520 0.004 8 1 no 0.090 0 0
1 152 LYS QE 253 no 55.0 100.0 0.023 0.023 0.000 4 1 no 0.000 0 0
1 152 LYS QG 197 yes 100.0 100.0 0.174 0.174 0.000 7 2 no 0.000 0 0
1 154 GLN QB 23 no 15.0 39.1 0.018 0.045 0.028 23 12 no 0.575 0 1
1 154 GLN QE 18 no 100.0 91.0 0.087 0.096 0.009 26 18 no 0.411 0 0
1 154 GLN QG 17 no 65.0 16.3 0.000 0.002 0.002 26 16 no 0.178 0 0
1 155 ASN QB 153 no 70.0 57.1 0.139 0.244 0.105 9 2 no 0.669 0 3
1 155 ASN QD 258 no 0.0 0.0 0.000 0.100 0.100 4 2 no 0.669 0 3
1 156 LEU QB 65 no 100.0 99.8 0.016 0.016 0.000 15 3 no 0.139 0 0
1 156 LEU QD 9 no 100.0 99.6 9.018 9.051 0.033 42 15 no 0.367 0 0
1 158 LYS QB 234 no 70.0 85.0 0.304 0.358 0.054 5 1 no 0.723 0 2
1 158 LYS QG 249 no 85.0 53.0 0.081 0.153 0.072 4 0 no 0.907 0 4
1 159 ASN QB 96 no 25.0 19.9 0.006 0.032 0.026 13 7 no 0.491 0 0
1 159 ASN QD 136 no 70.0 52.0 0.107 0.206 0.099 11 8 yes 1.154 2 4
1 160 ASN QB 196 no 100.0 100.0 0.001 0.001 0.000 7 2 no 0.105 0 0
1 162 LEU QB 115 no 75.0 15.4 0.039 0.254 0.215 12 6 no 0.047 0 0
1 162 LEU QD 240 no 65.0 67.9 0.088 0.130 0.042 5 3 no 0.839 0 1
1 163 PHE QB 164 no 100.0 100.0 0.044 0.044 0.000 9 6 no 0.000 0 0
1 163 PHE QD 95 no 100.0 99.4 6.109 6.147 0.038 13 7 no 0.839 0 1
1 163 PHE QE 152 no 100.0 100.0 18.086 18.086 0.000 10 7 no 0.007 0 0
1 164 PRO QB 281 no 70.0 47.5 0.046 0.097 0.051 2 1 no 0.488 0 0
1 164 PRO QD 190 no 100.0 0.0 0.000 0.000 0.000 8 7 no 0.000 0 0
1 164 PRO QG 229 no 5.0 100.0 0.003 0.003 0.000 6 5 no 0.000 0 0
1 165 ASP QB 248 no 45.0 64.8 0.164 0.253 0.089 4 0 no 0.553 0 1
1 166 LEU QB 289 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 166 LEU QD 74 no 75.0 75.0 0.668 0.890 0.223 15 7 yes 1.120 1 5
1 168 ASP QB 232 no 35.0 56.2 0.038 0.067 0.029 5 0 no 0.558 0 3
1 169 TRP QB 154 yes 75.0 51.1 0.121 0.237 0.116 9 3 no 0.387 0 0
1 170 LEU QB 272 yes 100.0 99.5 0.233 0.234 0.001 3 2 no 0.094 0 0
1 170 LEU QD 64 no 85.0 96.5 1.412 1.463 0.051 15 3 no 0.482 0 0
1 171 LEU QB 237 no 20.0 99.8 0.023 0.023 0.000 5 2 no 0.032 0 0
1 171 LEU QD 183 no 85.0 88.9 1.567 1.764 0.196 8 4 yes 1.092 2 4
1 173 PRO QB 277 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 174 LYS QB 288 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 175 VAL QG 91 no 95.0 94.8 5.844 6.167 0.322 13 4 yes 1.501 1 5
1 176 CYS QB 172 no 20.0 99.9 0.039 0.040 0.000 8 2 no 0.020 0 0
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 1:00:16 AM GMT (wattos1)