NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
528874 |
2lkm   |
18000 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lkm
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 273
_Stereo_assign_list.Swap_count 10
_Stereo_assign_list.Swap_percentage 3.7
_Stereo_assign_list.Deassign_count 40
_Stereo_assign_list.Deassign_percentage 14.7
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 65.890
_Stereo_assign_list.Total_e_high_states 209.958
_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 1 ASP QB 214 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 2 TYR QB 188 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 3 VAL QG 166 no 70.0 70.8 0.161 0.227 0.066 7 0 no 0.538 0 2
1 4 GLN QB 56 no 10.0 6.4 0.005 0.077 0.072 19 12 no 0.975 0 2
1 4 GLN QE 161 no 20.0 54.2 0.006 0.012 0.005 8 5 no 0.314 0 0
1 4 GLN QG 273 no 5.0 35.8 0.012 0.034 0.022 1 1 no 0.000 0 0
1 5 PRO QB 32 no 65.0 5.0 0.019 0.377 0.358 25 24 no 0.389 0 0
1 5 PRO QD 19 no 95.0 72.8 0.326 0.448 0.122 31 21 no 0.975 0 3
1 5 PRO QG 50 no 55.0 71.4 0.111 0.155 0.044 20 19 no 0.221 0 0
1 6 GLN QB 94 no 45.0 11.1 0.108 0.974 0.866 13 5 no 0.679 0 3
1 6 GLN QE 185 no 100.0 0.9 0.000 0.005 0.005 7 6 no 0.314 0 0
1 6 GLN QG 245 no 5.0 47.7 0.002 0.005 0.003 2 2 no 0.228 0 0
1 7 LEU QB 163 no 45.0 100.0 0.060 0.060 0.000 8 7 no 0.010 0 0
1 7 LEU QD 13 no 85.0 83.8 2.078 2.479 0.402 34 15 yes 1.196 3 6
1 8 ARG QB 76 no 55.0 74.7 0.011 0.014 0.004 15 4 no 0.195 0 0
1 8 ARG QD 272 no 30.0 72.9 0.008 0.011 0.003 1 1 no 0.146 0 0
1 8 ARG QG 271 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 9 ARG QB 135 no 75.0 52.0 0.022 0.043 0.021 10 6 no 0.475 0 0
1 9 ARG QD 44 no 80.0 68.9 0.126 0.183 0.057 22 14 no 0.475 0 0
1 9 ARG QG 224 no 35.0 28.1 0.012 0.042 0.030 4 4 no 0.572 0 1
1 10 PRO QB 46 no 20.0 100.0 0.080 0.080 0.000 22 18 no 0.004 0 0
1 10 PRO QD 54 no 90.0 93.8 0.406 0.433 0.027 19 9 no 0.370 0 0
1 10 PRO QG 31 no 95.0 99.6 0.805 0.808 0.003 25 17 no 0.223 0 0
1 11 PHE QB 213 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 GLU QB 72 no 75.0 37.7 0.249 0.661 0.412 16 8 no 0.679 0 3
1 12 GLU QG 87 no 95.0 52.6 0.060 0.114 0.054 14 6 no 0.582 0 2
1 13 LEU QB 49 no 100.0 98.4 0.032 0.033 0.001 20 8 no 0.066 0 0
1 13 LEU QD 14 no 100.0 99.7 5.091 5.107 0.015 34 17 no 0.204 0 0
1 14 LEU QB 42 no 75.0 80.6 0.094 0.117 0.023 22 8 no 0.540 0 1
1 14 LEU QD 1 no 80.0 75.7 6.805 8.991 2.187 65 27 yes 1.503 9 31
1 15 ILE QG 102 no 100.0 100.0 0.116 0.116 0.000 12 3 no 0.061 0 0
1 19 MET QB 62 no 100.0 100.0 0.850 0.851 0.000 18 10 no 0.051 0 0
1 19 MET QG 10 yes 90.0 83.4 0.718 0.862 0.143 38 11 no 0.534 0 2
1 20 GLU QB 68 no 90.0 88.5 0.363 0.411 0.047 17 8 no 0.642 0 2
1 20 GLU QG 41 no 85.0 94.3 0.502 0.532 0.030 22 7 no 0.441 0 0
1 21 ARG QB 58 no 100.0 99.1 0.342 0.345 0.003 18 6 no 0.199 0 0
1 21 ARG QD 236 no 90.0 2.8 0.000 0.003 0.003 2 0 no 0.245 0 0
1 21 ARG QG 51 no 95.0 98.6 1.176 1.192 0.016 19 7 no 0.513 0 1
1 22 ASN QB 83 no 65.0 68.9 0.404 0.586 0.182 15 12 no 0.767 0 2
1 22 ASN QD 223 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 23 PRO QB 55 no 75.0 54.0 0.194 0.360 0.165 19 11 yes 1.688 1 2
1 23 PRO QD 38 yes 80.0 62.3 0.311 0.498 0.188 23 20 yes 1.098 1 5
1 23 PRO QG 30 no 75.0 87.3 0.117 0.133 0.017 25 15 no 0.398 0 0
1 25 GLN QB 199 no 100.0 99.9 1.164 1.164 0.001 5 1 no 0.099 0 0
1 25 GLN QE 251 no 70.0 80.9 0.264 0.327 0.063 1 0 yes 1.529 3 6
1 25 GLN QG 40 yes 85.0 92.2 1.266 1.374 0.107 22 4 no 0.774 0 4
1 26 PHE QB 149 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 27 GLN QB 88 no 70.0 48.1 0.042 0.088 0.046 14 7 no 0.463 0 0
1 27 GLN QE 222 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 27 GLN QG 63 no 100.0 0.0 0.000 0.001 0.001 18 11 no 0.138 0 0
1 28 LEU QB 66 no 75.0 57.6 0.011 0.020 0.008 17 7 no 0.232 0 0
1 28 LEU QD 3 no 75.0 62.4 2.742 4.393 1.651 58 37 yes 2.158 8 23
1 29 PRO QB 64 no 85.0 67.8 1.515 2.235 0.720 18 14 no 0.320 0 0
1 29 PRO QD 20 no 95.0 88.4 0.674 0.762 0.088 31 25 no 0.486 0 0
1 29 PRO QG 39 no 100.0 77.5 0.638 0.824 0.186 23 21 no 0.365 0 0
1 30 ASN QD 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 GLU QG 270 no 35.0 68.3 0.103 0.151 0.048 1 1 no 0.432 0 0
1 32 LEU QB 25 no 95.0 51.4 0.584 1.136 0.552 27 18 yes 1.344 3 9
1 32 LEU QD 2 no 80.0 78.8 4.096 5.195 1.099 63 44 yes 1.566 6 18
1 34 CYS QB 165 no 75.0 64.9 0.102 0.157 0.055 7 0 no 0.691 0 2
1 38 LEU QB 269 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 38 LEU QD 205 no 65.0 93.2 0.013 0.014 0.001 5 4 no 0.107 0 0
1 39 PRO QB 84 no 100.0 0.0 0.000 0.000 0.000 15 15 no 0.000 0 0
1 39 PRO QD 28 no 70.0 83.2 0.064 0.077 0.013 26 17 no 0.370 0 0
1 39 PRO QG 122 no 45.0 84.4 0.002 0.002 0.000 11 11 no 0.000 0 0
2 2 ASN QB 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 5 VAL QG 107 no 60.0 12.6 0.126 0.998 0.872 12 7 no 0.192 0 0
2 6 LYS QB 151 no 100.0 100.0 0.306 0.306 0.000 8 1 no 0.000 0 0
2 6 LYS QE 220 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 7 VAL QG 27 no 80.0 89.8 1.176 1.310 0.134 26 12 no 0.684 0 5
2 8 LYS QG 100 no 80.0 70.4 0.061 0.087 0.026 12 1 no 0.508 0 2
2 10 PRO QB 196 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 11 GLU QB 131 no 100.0 100.0 0.000 0.000 0.000 10 4 no 0.012 0 0
2 11 GLU QG 250 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 12 GLU QB 204 no 5.0 100.0 0.000 0.000 0.000 5 4 no 0.000 0 0
2 12 GLU QG 268 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 13 LEU QB 184 no 65.0 98.4 0.069 0.070 0.001 7 5 no 0.131 0 0
2 13 LEU QD 57 no 50.0 54.3 1.011 1.861 0.850 18 5 yes 2.131 11 22
2 14 LYS QB 182 no 25.0 15.9 0.030 0.186 0.157 7 4 no 0.623 0 2
2 14 LYS QG 194 no 35.0 65.6 0.039 0.060 0.021 6 5 no 0.236 0 0
2 15 PRO QD 212 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 17 LEU QB 137 no 90.0 73.3 0.010 0.014 0.004 10 8 no 0.344 0 0
2 17 LEU QD 45 no 70.0 58.8 2.388 4.065 1.676 22 15 yes 2.279 6 6
2 18 VAL QG 48 no 85.0 77.3 3.158 4.083 0.925 21 10 yes 1.266 3 7
2 20 ASP QB 244 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 21 TRP QB 112 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
2 22 ASP QB 127 no 100.0 99.5 0.073 0.074 0.000 10 3 no 0.703 0 3
2 23 LEU QB 159 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 23 LEU QD 21 no 55.0 45.5 3.731 8.198 4.467 30 13 yes 3.485 29 52
2 24 ILE QG 115 no 90.0 83.5 0.134 0.160 0.026 11 3 no 0.078 0 0
2 26 ARG QB 140 no 40.0 100.0 0.001 0.001 0.000 9 1 no 0.000 0 0
2 26 ARG QD 202 no 80.0 53.0 0.039 0.074 0.035 5 2 no 0.703 0 3
2 27 GLN QB 181 yes 85.0 60.6 0.934 1.541 0.608 7 4 no 0.000 0 0
2 27 GLN QE 186 yes 90.0 45.2 1.022 2.261 1.239 7 7 no 0.025 0 0
2 27 GLN QG 108 no 55.0 35.8 1.066 2.980 1.915 12 9 yes 1.043 1 3
2 28 LYS QB 74 no 70.0 98.5 0.297 0.301 0.004 16 9 no 0.300 0 0
2 28 LYS QD 53 no 55.0 31.4 0.059 0.187 0.128 19 9 no 0.518 0 7
2 28 LYS QG 73 no 70.0 21.2 0.111 0.524 0.413 16 9 no 0.518 0 7
2 29 GLN QB 267 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 29 GLN QE 180 no 80.0 59.7 0.494 0.828 0.334 7 4 no 0.089 0 0
2 29 GLN QG 237 no 35.0 32.6 0.010 0.031 0.021 2 1 no 0.050 0 0
2 30 LEU QB 219 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 30 LEU QD 34 no 75.0 69.9 3.217 4.600 1.384 24 6 yes 2.357 7 9
2 31 PHE QB 203 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
2 32 TYR QB 143 no 95.0 95.2 0.204 0.214 0.010 9 2 no 0.456 0 0
2 33 LEU QB 98 no 65.0 11.8 0.038 0.323 0.285 13 9 no 0.608 0 1
2 33 LEU QD 16 no 85.0 89.2 5.490 6.153 0.663 31 11 yes 2.060 2 7
2 34 PRO QB 266 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 34 PRO QG 211 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 36 LYS QB 97 no 100.0 93.5 0.971 1.039 0.068 13 8 no 0.704 0 1
2 36 LYS QD 243 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 36 LYS QG 61 no 70.0 75.2 0.572 0.761 0.189 18 10 no 0.713 0 6
2 37 LYS QB 121 no 45.0 13.1 0.036 0.274 0.238 11 8 no 0.022 0 0
2 37 LYS QD 109 no 90.0 76.5 0.007 0.009 0.002 12 10 no 0.393 0 0
2 37 LYS QE 111 no 80.0 0.3 0.006 1.858 1.852 12 12 no 0.335 0 0
2 37 LYS QG 69 yes 75.0 49.6 0.791 1.596 0.805 17 12 no 0.074 0 0
2 38 ASN QB 179 no 95.0 97.2 0.043 0.044 0.001 7 4 no 0.496 0 0
2 39 VAL QG 8 no 90.0 94.4 7.380 7.819 0.439 40 17 yes 1.903 2 6
2 40 ASP QB 249 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 41 SER QB 265 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 42 ILE QG 155 no 60.0 55.8 0.091 0.162 0.072 8 3 no 0.000 0 0
2 43 LEU QB 130 no 40.0 83.2 0.203 0.244 0.041 10 4 no 0.392 0 0
2 43 LEU QD 17 no 60.0 20.2 0.484 2.398 1.914 31 15 yes 2.188 13 19
2 44 GLU QB 264 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 45 ASP QB 164 no 10.0 100.0 0.003 0.003 0.000 7 0 no 0.000 0 0
2 46 TYR QB 201 no 100.0 100.0 0.116 0.116 0.000 5 2 no 0.000 0 0
2 48 ASN QB 105 no 90.0 100.0 0.225 0.225 0.000 12 5 no 0.000 0 0
2 48 ASN QD 119 no 75.0 45.1 0.083 0.184 0.101 11 5 yes 1.420 2 2
2 49 TYR QB 114 no 100.0 0.0 0.000 0.000 0.000 11 3 no 0.000 0 0
2 50 ARG QB 190 no 45.0 100.0 0.004 0.004 0.000 6 1 no 0.000 0 0
2 50 ARG QD 176 no 75.0 5.2 0.001 0.011 0.010 7 3 no 0.351 0 0
2 51 LYS QB 263 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 51 LYS QE 262 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 51 LYS QG 113 no 100.0 58.4 0.168 0.288 0.120 11 3 no 0.000 0 0
2 53 ARG QB 77 no 75.0 100.0 0.279 0.279 0.000 15 5 no 0.037 0 0
2 53 ARG QD 129 no 50.0 44.7 0.028 0.062 0.035 10 4 no 0.396 0 0
2 55 ASN QB 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 55 ASN QD 248 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 58 ASN QB 162 no 60.0 44.4 0.052 0.118 0.065 8 6 no 0.703 0 3
2 58 ASN QD 221 no 100.0 91.9 0.499 0.543 0.044 4 4 no 0.408 0 0
2 59 LYS QB 242 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 59 LYS QD 241 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 59 LYS QE 261 no 5.0 100.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 59 LYS QG 120 no 15.0 46.5 0.004 0.008 0.004 11 7 no 0.287 0 0
2 60 GLU QG 260 no 60.0 1.9 0.002 0.132 0.129 1 1 no 0.586 0 2
2 61 TYR QB 169 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
2 63 VAL QG 37 no 65.0 15.3 0.698 4.565 3.867 23 13 yes 2.158 28 48
2 64 ASN QB 168 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
2 64 ASN QD 259 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 65 GLU QB 133 no 65.0 13.3 0.018 0.134 0.116 10 5 no 0.586 0 2
2 66 VAL QG 15 no 85.0 90.0 6.382 7.089 0.707 32 12 yes 1.756 1 2
2 67 VAL QG 43 no 95.0 95.0 0.974 1.025 0.052 22 12 no 0.264 0 0
2 69 GLY QA 218 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 70 ILE QG 92 no 40.0 82.5 0.077 0.093 0.016 13 3 no 0.616 0 4
2 71 LYS QB 258 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 72 GLU QG 125 no 60.0 41.2 0.056 0.137 0.080 10 1 no 0.934 0 3
2 73 TYR QB 178 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
2 74 PHE QB 158 no 45.0 100.0 0.001 0.001 0.000 8 4 no 0.000 0 0
2 75 ASN QB 200 no 100.0 100.0 0.000 0.000 0.000 5 2 no 0.012 0 0
2 75 ASN QD 232 no 35.0 93.6 0.111 0.119 0.008 2 0 no 0.320 0 0
2 76 VAL QG 5 no 70.0 80.8 1.650 2.042 0.393 46 9 yes 1.181 2 15
2 77 MET QB 247 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 78 LEU QB 154 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
2 78 LEU QD 35 no 75.0 56.0 0.272 0.484 0.213 24 9 yes 1.388 1 4
2 79 GLY QA 118 no 5.0 8.7 0.000 0.001 0.001 11 5 no 0.087 0 0
2 81 GLN QB 257 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 81 GLN QE 226 no 65.0 69.6 0.216 0.310 0.094 3 0 yes 1.406 3 5
2 82 LEU QB 246 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 82 LEU QD 33 no 90.0 93.3 5.900 6.326 0.426 24 6 yes 1.546 3 5
2 83 LEU QB 256 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 83 LEU QD 22 yes 85.0 88.4 1.094 1.238 0.144 29 15 yes 1.178 2 2
2 84 TYR QB 142 no 15.0 79.3 0.007 0.009 0.002 9 2 no 0.122 0 0
2 85 LYS QB 71 no 70.0 78.8 0.194 0.247 0.052 16 7 no 0.774 0 2
2 85 LYS QD 255 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 85 LYS QG 254 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 86 PHE QB 173 no 5.0 100.0 0.007 0.007 0.000 7 2 no 0.000 0 0
2 88 ARG QB 136 no 95.0 93.6 0.022 0.024 0.002 10 7 no 0.174 0 0
2 88 ARG QD 90 no 30.0 82.7 0.064 0.077 0.013 14 10 no 0.293 0 0
2 88 ARG QG 75 no 10.0 60.7 0.002 0.004 0.002 16 13 no 0.174 0 0
2 89 PRO QD 210 no 100.0 99.5 0.025 0.025 0.000 4 0 no 0.353 0 0
2 90 GLN QG 240 no 5.0 100.0 0.003 0.003 0.000 2 2 no 0.000 0 0
2 91 TYR QB 145 no 5.0 99.0 0.001 0.001 0.000 9 4 no 0.017 0 0
2 93 GLU QB 144 no 100.0 100.0 0.643 0.643 0.000 9 4 no 0.040 0 0
2 94 ILE QG 80 no 100.0 99.6 0.194 0.195 0.001 15 6 no 0.101 0 0
2 95 LEU QB 52 no 100.0 99.9 0.922 0.923 0.001 19 8 no 0.116 0 0
2 95 LEU QD 24 no 85.0 69.4 1.065 1.534 0.469 27 10 yes 1.558 1 12
2 97 ASP QB 101 no 80.0 100.0 0.112 0.112 0.000 12 3 no 0.011 0 0
2 98 HIS QB 123 no 100.0 100.0 0.157 0.157 0.000 10 0 no 0.000 0 0
2 99 PRO QB 172 no 30.0 100.0 0.007 0.007 0.000 7 2 no 0.000 0 0
2 99 PRO QD 148 no 25.0 100.0 0.005 0.005 0.000 8 0 no 0.000 0 0
2 99 PRO QG 253 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 100 ASP QB 167 no 55.0 96.7 0.006 0.006 0.000 7 1 no 0.043 0 0
2 102 PRO QB 95 no 10.0 51.4 0.005 0.011 0.005 13 7 no 0.212 0 0
2 102 PRO QD 91 no 80.0 100.0 0.327 0.327 0.000 13 3 no 0.000 0 0
2 102 PRO QG 207 no 100.0 61.3 0.001 0.002 0.001 5 5 no 0.174 0 0
2 103 MET QB 206 no 100.0 0.0 0.000 0.000 0.000 5 5 no 0.000 0 0
2 103 MET QG 153 no 30.0 98.6 0.006 0.006 0.000 8 3 no 0.031 0 0
2 104 SER QB 171 no 60.0 12.9 0.020 0.157 0.137 7 2 yes 1.532 1 2
2 105 GLN QB 59 no 95.0 99.3 1.199 1.207 0.009 18 7 no 0.174 0 0
2 105 GLN QE 192 no 70.0 29.7 0.006 0.020 0.014 6 2 no 0.421 0 0
2 105 GLN QG 252 no 40.0 6.1 0.043 0.717 0.673 1 1 no 0.451 0 0
2 106 VAL QG 9 no 90.0 67.1 3.746 5.586 1.840 40 19 yes 2.657 6 16
2 107 TYR QB 227 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
2 108 GLY QA 209 no 70.0 68.5 0.100 0.145 0.046 4 0 no 0.957 0 1
2 110 PRO QD 198 no 50.0 100.0 0.028 0.028 0.000 5 1 no 0.016 0 0
2 111 HIS QB 239 no 95.0 0.6 0.000 0.001 0.001 2 2 no 0.087 0 0
2 112 LEU QB 134 no 65.0 98.8 0.006 0.006 0.000 10 6 no 0.149 0 0
2 112 LEU QD 18 no 80.0 62.4 0.180 0.289 0.109 31 16 no 0.624 0 1
2 113 LEU QD 193 no 55.0 64.8 0.401 0.618 0.217 6 3 yes 1.493 1 2
2 114 ARG QB 230 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
2 115 LEU QB 183 no 100.0 0.0 0.000 0.000 0.000 7 5 no 0.000 0 0
2 115 LEU QD 7 no 55.0 32.3 1.893 5.865 3.973 40 14 yes 2.607 13 48
2 116 PHE QB 175 no 85.0 99.1 0.688 0.695 0.007 7 3 no 0.361 0 0
2 117 VAL QG 11 yes 75.0 73.7 2.371 3.215 0.844 38 22 yes 2.067 3 7
2 118 ARG QD 187 no 10.0 96.2 0.006 0.006 0.000 6 0 no 0.056 0 0
2 119 ILE QG 93 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.189 0 0
2 120 GLY QA 104 no 90.0 50.8 0.202 0.399 0.196 12 4 no 0.107 0 0
2 122 MET QB 67 no 60.0 54.9 0.095 0.173 0.078 17 8 no 0.623 0 2
2 122 MET QG 86 no 95.0 11.8 0.020 0.170 0.150 14 6 no 0.405 0 0
2 123 LEU QB 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 123 LEU QD 60 no 95.0 97.8 1.010 1.033 0.023 18 9 no 0.395 0 0
2 125 TYR QB 139 no 100.0 100.0 0.134 0.134 0.000 9 1 no 0.000 0 0
2 127 PRO QB 229 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
2 127 PRO QD 36 no 90.0 86.5 0.121 0.140 0.019 23 8 no 0.476 0 0
2 128 LEU QB 79 no 100.0 85.9 0.364 0.423 0.060 15 6 no 0.808 0 2
2 128 LEU QD 6 yes 95.0 96.8 3.267 3.376 0.109 44 32 no 0.608 0 1
2 129 ASP QB 150 no 70.0 58.5 0.035 0.061 0.025 8 1 no 0.451 0 0
2 130 GLU QG 208 no 65.0 9.3 0.003 0.035 0.032 4 0 no 0.359 0 0
2 131 LYS QB 116 no 95.0 95.1 0.990 1.041 0.051 11 4 no 0.744 0 2
2 131 LYS QG 81 no 90.0 80.5 0.453 0.563 0.110 15 7 no 0.922 0 4
2 132 SER QB 126 no 90.0 4.7 0.001 0.019 0.018 10 3 no 0.476 0 0
2 133 LEU QB 78 no 100.0 80.1 0.501 0.626 0.124 15 6 no 0.209 0 0
2 133 LEU QD 89 no 80.0 49.1 0.798 1.627 0.829 14 8 yes 1.123 2 6
2 135 LEU QB 70 no 80.0 80.2 0.079 0.099 0.020 16 7 no 0.324 0 0
2 135 LEU QD 4 no 80.0 68.9 7.145 10.374 3.229 54 30 yes 2.403 19 29
2 136 LEU QB 96 no 90.0 98.3 0.526 0.535 0.009 13 8 no 0.382 0 0
2 136 LEU QD 12 no 85.0 66.2 4.842 7.317 2.475 38 25 yes 2.520 12 21
2 137 LEU QB 82 no 80.0 66.2 0.263 0.397 0.134 15 9 no 0.000 0 0
2 137 LEU QD 26 no 60.0 44.3 0.986 2.223 1.237 26 12 yes 1.671 2 11
2 138 ASN QB 117 no 95.0 5.2 0.098 1.872 1.775 11 5 no 0.595 0 1
2 138 ASN QD 238 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 140 LEU QB 152 no 15.0 100.0 0.025 0.025 0.000 8 2 no 0.000 0 0
2 140 LEU QD 23 no 55.0 18.3 0.295 1.617 1.322 28 13 yes 1.843 10 20
2 142 ASP QB 189 no 20.0 100.0 0.029 0.029 0.000 6 1 no 0.003 0 0
2 143 PHE QB 191 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
2 144 LEU QD 47 no 90.0 88.8 10.487 11.812 1.324 21 8 yes 1.654 12 19
2 145 LYS QG 124 no 60.0 66.8 0.036 0.055 0.018 10 1 no 0.428 0 0
2 146 TYR QB 170 no 35.0 98.9 0.076 0.076 0.001 7 2 no 0.131 0 0
2 147 LEU QB 197 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
2 147 LEU QD 65 no 55.0 66.0 1.246 1.887 0.641 17 6 yes 1.223 6 9
2 149 LYS QB 174 no 20.0 100.0 0.021 0.021 0.000 7 3 no 0.000 0 0
2 150 ASN QB 177 no 15.0 84.1 0.001 0.001 0.000 7 4 no 0.057 0 0
2 150 ASN QD 217 no 30.0 93.6 0.011 0.012 0.001 4 2 no 0.079 0 0
2 154 LEU QB 106 no 5.0 49.8 0.003 0.006 0.003 12 7 no 0.000 0 0
2 154 LEU QD 29 no 65.0 31.7 1.884 5.938 4.055 25 13 yes 2.685 21 34
2 155 PHE QB 216 no 100.0 100.0 0.288 0.288 0.000 4 1 no 0.000 0 0
2 156 SER QB 195 no 35.0 60.7 0.020 0.033 0.013 5 0 no 0.488 0 0
2 159 ASP QB 215 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
2 160 TYR QB 160 no 100.0 0.0 0.000 0.000 0.000 8 5 no 0.001 0 0
2 161 GLU QB 138 no 80.0 81.5 0.678 0.831 0.154 9 1 no 0.989 0 4
2 162 VAL QG 85 no 85.0 82.7 0.464 0.561 0.097 14 4 no 0.778 0 3
2 164 PRO QB 157 no 70.0 71.0 0.209 0.294 0.085 8 4 no 0.677 0 2
2 164 PRO QD 132 no 45.0 17.9 0.002 0.014 0.011 10 5 no 0.008 0 0
2 164 PRO QG 110 no 100.0 0.0 0.000 0.000 0.000 12 11 no 0.000 0 0
2 165 PRO QB 147 no 100.0 100.0 0.432 0.432 0.000 9 5 no 0.000 0 0
2 165 PRO QD 146 no 75.0 100.0 0.004 0.004 0.000 9 5 no 0.001 0 0
2 165 PRO QG 99 no 100.0 0.0 0.000 0.000 0.000 13 10 no 0.000 0 0
2 169 ARG QB 103 no 85.0 81.1 0.180 0.222 0.042 12 4 no 0.537 0 2
2 169 ARG QG 228 no 20.0 99.9 0.006 0.006 0.000 3 3 no 0.010 0 0
2 170 LYS QB 128 no 100.0 100.0 1.075 1.075 0.000 10 4 no 0.038 0 0
2 170 LYS QE 225 no 85.0 30.4 0.001 0.003 0.002 3 0 no 0.203 0 0
2 170 LYS QG 156 yes 75.0 35.2 0.127 0.360 0.233 8 4 yes 1.106 1 8
2 172 VAL QG 141 no 40.0 71.3 0.222 0.312 0.089 9 2 no 0.595 0 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 9:25:03 AM GMT (wattos1)