NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
648150 |
6yts   |
27989 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6yts
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 288
_Stereo_assign_list.Swap_count 93
_Stereo_assign_list.Swap_percentage 32.3
_Stereo_assign_list.Deassign_count 99
_Stereo_assign_list.Deassign_percentage 34.4
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 1713.810
_Stereo_assign_list.Total_e_high_states 2712.266
_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 VAL QG 9 no 100.0 97.7 15.759 16.130 0.372 16 2 no 0.720 0 5
1 3 SER QB 11 yes 100.0 52.1 10.105 19.379 9.274 15 4 yes 3.077 20 40
1 4 PHE QB 182 no 100.0 6.7 0.394 5.873 5.479 5 0 yes 2.360 20 20
1 5 ARG QB 74 yes 100.0 77.7 0.208 0.268 0.060 9 2 no 0.423 0 0
1 5 ARG QD 104 no 100.0 53.7 0.103 0.191 0.089 8 2 no 0.343 0 0
1 5 ARG QG 237 no 85.0 62.9 0.470 0.748 0.278 3 0 yes 1.192 3 3
1 6 LEU QB 73 yes 100.0 88.3 2.270 2.571 0.301 9 2 yes 0.612 0 16
1 6 LEU QD 80 no 95.0 86.5 7.295 8.438 1.143 9 4 yes 2.305 2 10
1 7 SER QB 122 no 100.0 34.4 0.015 0.044 0.029 7 0 no 0.185 0 0
1 8 GLY QA 208 no 100.0 66.8 0.008 0.011 0.004 4 0 no 0.149 0 0
1 11 SER QB 258 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 GLY QA 287 no 100.0 100.0 0.032 0.032 0.000 1 0 no 0.192 0 0
1 16 VAL QG 181 yes 100.0 94.9 0.804 0.847 0.043 5 0 no 0.218 0 0
1 17 PHE QB 180 no 100.0 98.0 3.167 3.230 0.063 5 0 no 0.384 0 0
1 18 ILE QG 92 yes 100.0 82.7 1.122 1.358 0.235 8 0 no 0.463 0 0
1 19 SER QB 257 no 75.0 34.2 12.143 35.497 23.354 2 0 yes 5.203 20 20
1 20 ASN QB 22 yes 100.0 17.3 3.566 20.567 17.000 13 2 yes 3.571 40 40
1 21 LEU QB 26 no 100.0 84.3 0.858 1.019 0.160 12 3 no 0.377 0 0
1 21 LEU QD 2 no 100.0 64.9 47.915 73.886 25.971 25 3 yes 3.639 52 80
1 22 ARG QB 256 no 95.0 27.1 0.016 0.059 0.043 2 0 no 0.271 0 0
1 22 ARG QD 236 yes 100.0 99.8 3.408 3.415 0.007 3 0 no 0.301 0 0
1 22 ARG QG 286 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 23 LYS QD 265 yes 75.0 17.0 1.294 7.604 6.310 2 1 yes 2.378 20 20
1 23 LYS QE 264 no 60.0 4.2 0.314 7.510 7.196 2 1 yes 3.008 20 20
1 23 LYS QG 91 yes 100.0 94.3 0.246 0.260 0.015 8 0 no 0.261 0 0
1 25 LEU QB 160 yes 95.0 32.7 2.896 8.845 5.949 6 2 yes 2.659 20 20
1 25 LEU QD 14 no 95.0 55.9 28.221 50.459 22.238 14 4 yes 6.978 22 22
1 26 PRO QB 207 no 45.0 49.1 0.013 0.027 0.014 4 0 no 0.207 0 0
1 26 PRO QD 106 yes 100.0 100.0 0.302 0.302 0.000 8 3 no 0.036 0 0
1 27 TYR QB 36 no 100.0 84.5 0.097 0.115 0.018 11 1 no 0.483 0 0
1 28 GLU QB 235 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 28 GLU QG 151 no 100.0 96.8 1.059 1.094 0.035 6 0 no 0.306 0 0
1 29 ARG QB 76 no 100.0 17.2 5.885 34.188 28.303 9 3 yes 5.477 20 30
1 29 ARG QD 110 no 55.0 9.0 0.249 2.775 2.527 8 6 yes 1.089 1 4
1 29 ARG QG 211 no 95.0 76.8 0.218 0.283 0.066 4 1 no 0.382 0 0
1 30 LYS QB 103 yes 100.0 90.9 0.211 0.233 0.021 8 2 no 0.416 0 0
1 30 LYS QD 59 no 100.0 35.5 12.042 33.924 21.883 10 3 yes 4.902 20 20
1 30 LYS QE 162 no 35.0 7.9 0.004 0.049 0.045 6 3 no 0.407 0 0
1 30 LYS QG 28 no 100.0 79.1 1.479 1.869 0.390 12 4 no 0.784 0 6
1 31 LEU QB 57 yes 100.0 50.4 1.377 2.732 1.355 10 2 yes 1.281 18 20
1 31 LEU QD 52 no 95.0 81.1 23.835 29.381 5.546 11 6 yes 3.967 23 23
1 32 TYR QB 70 no 95.0 83.3 0.074 0.089 0.015 9 0 no 0.483 0 0
1 33 ASP QB 121 yes 100.0 48.9 0.160 0.327 0.167 7 0 no 0.372 0 0
1 34 ILE QG 285 no 100.0 100.0 0.013 0.013 0.000 1 0 no 0.370 0 0
1 35 PRO QB 163 no 100.0 99.6 0.094 0.094 0.000 6 4 no 0.074 0 0
1 35 PRO QD 135 no 95.0 99.8 0.093 0.093 0.000 7 3 no 0.060 0 0
1 35 PRO QG 215 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 36 LEU QB 129 yes 95.0 85.7 1.248 1.457 0.209 7 1 no 0.289 0 0
1 36 LEU QD 51 yes 80.0 41.6 22.787 54.806 32.018 11 6 yes 6.411 36 41
1 38 ARG QD 284 no 85.0 52.8 0.050 0.095 0.045 1 0 no 0.601 0 4
1 39 SER QB 79 no 55.0 87.2 0.355 0.407 0.052 9 4 no 0.387 0 0
1 41 LEU QB 109 no 100.0 29.4 5.965 20.279 14.313 8 4 yes 4.000 20 20
1 41 LEU QD 159 yes 100.0 67.6 16.478 24.359 7.881 6 2 yes 2.667 21 24
1 42 PRO QB 30 yes 100.0 69.0 0.151 0.218 0.068 12 5 no 0.054 0 0
1 42 PRO QD 3 yes 100.0 41.3 31.291 75.849 44.559 21 15 yes 3.720 60 60
1 43 GLY QA 44 yes 100.0 46.9 18.145 38.722 20.577 11 4 yes 5.005 20 20
1 45 GLN QB 23 no 100.0 61.2 7.467 12.204 4.738 13 5 yes 2.451 20 20
1 45 GLN QE 31 yes 100.0 97.0 4.361 4.495 0.134 12 7 no 0.396 0 0
1 45 GLN QG 50 yes 100.0 43.6 14.103 32.326 18.224 11 6 yes 3.645 40 44
1 46 ARG QB 43 no 100.0 23.0 5.487 23.811 18.325 11 4 yes 3.733 65 76
1 46 ARG QD 267 no 55.0 29.5 3.082 10.438 7.357 2 2 yes 3.290 20 20
1 46 ARG QG 134 yes 100.0 24.7 6.552 26.563 20.010 7 2 yes 4.879 41 50
1 47 TYR QB 234 yes 95.0 97.7 0.164 0.168 0.004 3 0 no 0.278 0 0
1 49 LEU QB 102 yes 100.0 93.5 1.003 1.073 0.070 8 2 no 0.367 0 0
1 49 LEU QD 6 yes 80.0 54.1 20.768 38.418 17.651 17 5 yes 5.012 28 38
1 50 ILE QG 25 no 100.0 86.3 1.849 2.142 0.294 12 0 no 0.639 0 8
1 51 HIS QB 13 yes 100.0 91.2 0.102 0.112 0.010 14 4 no 0.256 0 0
1 52 LEU QB 206 no 95.0 96.5 0.003 0.003 0.000 4 0 no 0.046 0 0
1 52 LEU QD 233 no 95.0 48.2 14.983 31.057 16.074 3 0 yes 4.311 22 22
1 54 ASN QB 35 no 100.0 90.8 0.204 0.224 0.021 11 1 no 0.434 0 0
1 54 ASN QD 69 no 100.0 97.8 0.018 0.018 0.000 9 0 no 0.322 0 0
1 55 TYR QB 90 no 100.0 32.1 0.026 0.080 0.054 8 0 no 0.313 0 0
1 57 ASP QB 89 yes 100.0 57.0 0.449 0.787 0.338 8 0 no 0.409 0 0
1 58 GLU QB 205 no 60.0 8.5 0.003 0.033 0.030 4 0 no 0.235 0 0
1 58 GLU QG 150 no 100.0 71.8 0.514 0.715 0.201 6 0 no 0.603 0 2
1 60 ILE QG 283 yes 100.0 45.1 19.192 42.507 23.316 1 0 yes 5.098 20 20
1 61 SER QB 97 no 90.0 89.1 0.073 0.082 0.009 8 1 no 0.361 0 0
1 62 VAL QG 255 yes 100.0 95.5 2.998 3.140 0.142 2 0 no 0.547 0 1
1 64 ILE QG 179 no 95.0 76.6 0.682 0.890 0.208 5 0 yes 1.656 1 1
1 65 ASP QB 204 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 VAL QG 10 yes 100.0 33.2 35.472 106.792 71.320 15 3 yes 8.122 40 40
1 68 ASN QB 42 no 20.0 100.0 0.001 0.001 0.000 11 4 no 0.000 0 0
1 68 ASN QD 192 no 100.0 100.0 0.032 0.032 0.000 5 4 no 0.425 0 0
1 69 VAL QG 133 no 55.0 15.7 0.033 0.211 0.178 7 2 no 0.607 0 1
1 71 VAL QG 72 no 100.0 88.1 35.757 40.606 4.850 9 2 yes 1.858 38 38
1 72 MET QB 282 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 72 MET QG 128 no 90.0 34.9 5.469 15.673 10.204 7 1 yes 4.261 39 40
1 73 GLY QA 56 yes 100.0 100.0 0.100 0.100 0.000 10 1 no 0.000 0 0
1 74 TYR QB 88 no 15.0 62.3 0.013 0.021 0.008 8 0 no 0.341 0 0
1 75 ARG QB 19 yes 100.0 56.0 12.618 22.539 9.921 14 7 yes 3.746 20 24
1 75 ARG QD 49 no 100.0 62.5 0.323 0.516 0.194 11 6 no 0.388 0 0
1 75 ARG QG 15 yes 100.0 89.3 4.457 4.990 0.533 14 5 no 0.690 0 7
1 77 GLY QA 203 yes 100.0 69.1 0.171 0.248 0.077 4 0 no 0.315 0 0
1 78 ASP QB 263 no 80.0 73.0 0.015 0.021 0.006 2 1 no 0.163 0 0
1 80 SER QB 34 yes 100.0 22.3 10.406 46.695 36.288 11 1 yes 6.383 41 79
1 81 TYR QB 178 no 90.0 90.7 0.036 0.040 0.004 5 0 no 0.125 0 0
1 82 PHE QB 33 no 75.0 9.5 0.096 1.017 0.920 11 0 yes 1.066 8 20
1 83 PHE QB 68 yes 100.0 94.5 2.024 2.142 0.118 9 0 no 0.464 0 0
1 84 ASN QB 12 yes 100.0 95.7 3.130 3.271 0.141 14 4 no 0.686 0 1
1 84 ASN QD 78 no 100.0 92.7 0.073 0.078 0.006 9 4 no 0.203 0 0
1 85 GLU QB 281 yes 80.0 91.1 0.285 0.313 0.028 1 0 no 0.509 0 1
1 85 GLU QG 232 yes 85.0 78.3 5.671 7.238 1.567 3 0 yes 1.728 14 20
1 90 GLU QB 254 no 80.0 38.6 4.621 11.971 7.350 2 0 yes 3.644 20 24
1 90 GLU QG 177 no 90.0 36.5 0.038 0.104 0.066 5 0 no 0.458 0 0
1 93 LYS QB 176 yes 100.0 78.0 0.178 0.228 0.050 5 0 no 0.211 0 0
1 93 LYS QE 231 no 60.0 38.8 0.010 0.025 0.016 3 0 no 0.355 0 0
1 94 TYR QB 21 no 100.0 42.0 25.560 60.887 35.327 13 2 yes 6.095 20 20
1 95 VAL QG 1 no 100.0 60.8 45.984 75.642 29.658 33 5 yes 4.345 45 55
1 96 PHE QB 71 no 100.0 98.4 0.064 0.065 0.001 9 2 no 0.098 0 0
1 97 LYS QB 96 no 100.0 88.4 0.933 1.055 0.123 8 1 no 0.394 0 0
1 97 LYS QD 95 yes 100.0 85.3 0.195 0.229 0.034 8 1 no 0.250 0 0
1 97 LYS QG 158 no 100.0 82.7 1.376 1.664 0.288 6 2 no 0.504 0 2
1 98 ASP QB 120 yes 100.0 59.6 0.107 0.179 0.072 7 0 no 0.248 0 0
1 100 LYS QB 202 no 100.0 30.1 0.040 0.134 0.094 4 0 no 0.376 0 0
1 100 LYS QG 127 yes 100.0 92.5 2.286 2.470 0.184 7 1 no 0.433 0 0
1 101 ARG QB 230 yes 90.0 76.3 0.889 1.165 0.276 3 0 no 0.606 0 4
1 101 ARG QG 229 yes 95.0 79.9 0.121 0.152 0.030 3 0 no 0.410 0 0
1 102 LYS QB 190 no 100.0 35.4 3.766 10.629 6.863 5 2 yes 2.614 20 21
1 102 LYS QD 201 no 100.0 100.0 1.044 1.044 0.000 4 0 no 0.033 0 0
1 102 LYS QE 157 no 100.0 60.6 0.241 0.398 0.157 6 2 no 0.649 0 5
1 102 LYS QG 41 no 90.0 26.1 0.026 0.099 0.073 11 4 no 0.264 0 0
1 103 VAL QG 67 no 100.0 83.8 1.302 1.554 0.252 9 0 no 0.491 0 0
1 105 LEU QB 149 no 100.0 99.9 1.280 1.280 0.001 6 0 no 0.079 0 0
1 105 LEU QD 27 no 80.0 21.3 24.414 114.459 90.045 12 4 yes 8.352 60 73
1 106 PRO QB 253 no 100.0 100.0 0.063 0.063 0.000 2 0 no 0.000 0 0
1 106 PRO QD 48 yes 100.0 34.7 0.134 0.385 0.252 11 6 no 0.211 0 0
1 106 PRO QG 241 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 107 TYR QB 87 no 100.0 82.5 1.127 1.367 0.239 8 0 no 0.438 0 0
1 108 SER QB 119 no 95.0 69.7 0.005 0.007 0.002 7 0 no 0.193 0 0
1 109 GLY QA 101 no 75.0 1.5 1.062 70.063 69.001 8 2 yes 6.116 40 52
1 110 ASN QB 62 no 100.0 75.3 0.097 0.129 0.032 10 4 no 0.204 0 0
1 110 ASN QD 64 yes 100.0 59.0 11.288 19.132 7.844 10 6 yes 2.068 20 20
1 111 TYR QB 228 no 75.0 98.3 0.022 0.022 0.000 3 0 no 0.070 0 0
1 112 GLU QB 186 yes 100.0 97.2 3.828 3.939 0.111 5 1 no 0.266 0 0
1 112 GLU QG 118 yes 100.0 39.1 0.188 0.480 0.292 7 0 no 0.460 0 0
1 113 ARG QB 156 no 100.0 53.1 10.231 19.251 9.020 6 2 yes 3.105 20 20
1 113 ARG QD 18 no 100.0 25.8 5.249 20.374 15.125 14 7 yes 3.295 50 60
1 113 ARG QG 47 no 45.0 0.7 0.413 55.545 55.132 11 6 yes 6.392 60 60
1 114 LEU QB 210 no 100.0 99.3 3.138 3.161 0.023 4 1 no 0.072 0 0
1 114 LEU QD 126 yes 100.0 95.4 8.405 8.807 0.402 7 1 no 0.376 0 0
1 115 GLN QB 252 no 65.0 100.0 0.007 0.007 0.000 2 0 no 0.000 0 0
1 115 GLN QG 227 no 30.0 5.9 0.003 0.051 0.048 3 0 no 0.358 0 0
1 116 ILE QG 148 no 100.0 100.0 0.143 0.143 0.000 6 0 no 0.000 0 0
1 119 GLY QA 147 no 100.0 0.1 0.066 48.033 47.968 6 0 yes 5.103 40 40
1 120 LYS QB 86 no 75.0 32.2 0.205 0.637 0.432 8 0 no 0.567 0 6
1 120 LYS QD 288 no 60.0 93.7 0.152 0.162 0.010 1 1 no 0.666 0 5
1 120 LYS QG 226 no 75.0 32.6 6.508 19.958 13.449 3 0 yes 3.469 40 41
1 123 GLU QB 105 no 85.0 17.0 10.862 63.740 52.877 8 3 yes 5.620 40 40
1 123 GLU QG 94 yes 90.0 80.0 0.991 1.239 0.248 8 1 no 0.863 0 5
1 124 ASN QB 40 no 95.0 28.5 0.016 0.056 0.040 11 4 no 0.252 0 0
1 124 ASN QD 8 no 90.0 1.8 0.995 54.745 53.750 17 7 yes 6.480 45 62
1 126 PRO QB 146 no 85.0 46.7 0.028 0.060 0.032 6 0 no 0.305 0 0
1 127 LEU QB 225 yes 100.0 98.8 2.725 2.757 0.032 3 0 no 0.328 0 0
1 127 LEU QD 213 no 65.0 21.4 4.914 22.949 18.035 4 2 yes 4.794 56 60
1 128 GLY QA 85 yes 100.0 99.5 0.291 0.292 0.001 8 0 no 0.119 0 0
1 129 LEU QB 75 no 100.0 21.0 14.285 67.891 53.606 9 3 yes 5.821 42 42
1 129 LEU QD 185 no 65.0 72.5 0.921 1.270 0.349 5 1 yes 1.351 13 13
1 130 PRO QB 175 no 100.0 100.0 0.071 0.071 0.000 5 0 no 0.000 0 0
1 130 PRO QD 93 no 100.0 96.2 0.130 0.136 0.005 8 1 no 0.311 0 0
1 132 LEU QB 209 no 100.0 100.0 0.003 0.003 0.000 4 1 no 0.000 0 0
1 132 LEU QD 132 no 90.0 44.8 38.762 86.490 47.728 7 2 yes 6.784 42 42
1 133 ASP QB 55 yes 100.0 63.5 0.110 0.173 0.063 10 1 no 0.287 0 0
1 134 SER QB 280 no 40.0 100.0 0.122 0.122 0.000 1 0 no 0.000 0 0
1 139 LEU QB 117 no 100.0 43.6 2.700 6.186 3.487 7 0 yes 1.572 36 40
1 139 LEU QD 66 yes 100.0 98.3 22.620 23.009 0.389 9 0 no 0.595 0 5
1 140 PHE QB 174 yes 100.0 88.2 1.330 1.508 0.178 5 0 no 0.455 0 0
1 141 TYR QB 145 yes 100.0 89.1 0.112 0.126 0.014 6 0 no 0.153 0 0
1 142 TYR QB 173 no 100.0 22.8 0.056 0.245 0.189 5 0 no 0.510 0 6
1 143 ASN QB 7 yes 100.0 26.4 13.339 50.497 37.158 17 6 yes 4.813 40 40
1 143 ASN QD 61 no 35.0 67.5 0.022 0.033 0.011 10 4 no 0.142 0 0
1 145 ASN QB 279 yes 100.0 83.4 2.017 2.419 0.402 1 0 yes 0.847 0 16
1 146 SER QB 155 no 60.0 27.5 0.037 0.133 0.097 6 2 no 0.418 0 0
1 149 SER QB 224 no 100.0 30.6 5.211 17.005 11.794 3 0 yes 3.722 21 21
1 151 LEU QB 125 no 70.0 13.9 0.174 1.254 1.079 7 1 yes 1.136 15 20
1 151 LEU QD 223 no 100.0 99.3 4.855 4.888 0.032 3 0 no 0.184 0 0
1 152 MET QB 172 no 100.0 100.0 0.072 0.072 0.000 5 0 no 0.000 0 0
1 152 MET QG 200 no 95.0 92.8 0.214 0.231 0.017 4 0 no 0.574 0 1
1 153 VAL QG 116 no 95.0 67.2 20.010 29.770 9.760 7 0 yes 5.251 21 21
1 154 LEU QB 171 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 155 ILE QG 278 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 156 GLN QB 222 no 85.0 94.6 0.013 0.013 0.001 3 0 no 0.096 0 0
1 157 SER QB 251 no 100.0 32.2 7.786 24.142 16.356 2 0 yes 4.298 40 40
1 159 SER QB 250 no 65.0 98.2 0.004 0.004 0.000 2 0 no 0.039 0 0
1 163 ARG QB 249 yes 90.0 100.0 0.249 0.249 0.000 2 0 no 0.028 0 0
1 164 TYR QB 221 no 90.0 100.0 0.035 0.035 0.000 3 0 no 0.000 0 0
1 166 PHE QB 115 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 167 ILE QG 277 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 168 GLU QG 184 yes 95.0 94.9 6.827 7.190 0.363 5 1 yes 1.967 2 2
1 169 GLN QB 39 no 100.0 99.5 2.815 2.829 0.014 11 4 no 0.143 0 0
1 169 GLN QE 32 yes 100.0 41.8 10.860 25.955 15.095 12 8 yes 4.105 20 22
1 169 GLN QG 29 yes 100.0 64.7 6.286 9.712 3.426 12 5 no 0.387 0 0
1 170 GLN QB 220 yes 100.0 100.0 1.745 1.746 0.000 3 0 no 0.065 0 0
1 170 GLN QG 248 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 171 ILE QG 199 yes 100.0 100.0 0.106 0.106 0.000 4 0 no 0.000 0 0
1 172 GLY QA 65 yes 100.0 59.3 0.117 0.197 0.080 9 0 no 0.379 0 0
1 173 LYS QB 198 no 95.0 59.9 0.113 0.189 0.076 4 0 no 0.510 0 4
1 173 LYS QD 262 yes 80.0 19.8 1.645 8.303 6.658 2 1 yes 3.012 20 20
1 173 LYS QE 266 no 55.0 3.9 0.669 17.127 16.458 2 2 yes 3.518 40 40
1 173 LYS QG 261 yes 90.0 20.4 2.570 12.623 10.052 2 1 yes 3.759 20 31
1 174 ARG QB 144 no 100.0 22.0 1.967 8.936 6.970 6 0 yes 2.679 20 20
1 174 ARG QD 276 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 175 VAL QG 114 yes 100.0 73.8 0.685 0.929 0.244 7 0 yes 1.275 2 2
1 176 ASP QB 143 no 100.0 73.7 0.054 0.074 0.019 6 0 no 0.422 0 0
1 177 LYS QB 131 no 95.0 17.5 2.695 15.404 12.709 7 2 yes 3.656 20 20
1 177 LYS QD 100 yes 80.0 49.5 0.296 0.597 0.301 8 2 yes 1.154 3 6
1 177 LYS QG 275 no 80.0 76.2 1.826 2.396 0.570 1 0 yes 1.654 3 14
1 180 LEU QB 238 yes 100.0 44.9 5.491 12.231 6.741 3 1 yes 2.711 20 20
1 180 LEU QD 124 no 75.0 3.1 0.007 0.218 0.211 7 1 no 0.484 0 0
1 181 PRO QB 142 yes 100.0 33.1 4.037 12.204 8.166 6 0 yes 3.046 20 20
1 181 PRO QD 240 no 100.0 38.1 7.308 19.187 11.879 3 2 yes 2.990 24 39
1 181 PRO QG 247 no 100.0 100.0 0.359 0.359 0.000 2 0 no 0.000 0 0
1 182 SER QB 170 no 90.0 37.0 0.014 0.037 0.023 5 0 no 0.312 0 0
1 183 LEU QB 84 no 60.0 2.2 1.643 74.699 73.056 8 0 yes 6.513 60 60
1 183 LEU QD 152 no 95.0 88.9 7.551 8.494 0.942 6 1 yes 2.289 2 5
1 185 ILE QG 113 yes 100.0 99.5 0.302 0.303 0.002 7 0 no 0.083 0 0
1 186 ILE QG 141 no 50.0 0.4 0.079 22.024 21.946 6 0 yes 5.163 23 38
1 188 LEU QB 99 yes 95.0 81.2 0.775 0.955 0.180 8 2 yes 1.380 1 1
1 188 LEU QD 154 no 95.0 93.4 2.347 2.512 0.165 6 2 yes 1.034 1 1
1 189 GLU QB 219 no 70.0 1.2 0.401 33.415 33.014 3 0 yes 6.256 20 20
1 189 GLU QG 246 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 190 ASN QB 197 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 191 SER QB 169 no 35.0 29.6 0.010 0.034 0.024 5 0 no 0.171 0 0
1 192 TRP QB 218 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 195 LEU QB 212 no 95.0 60.5 0.017 0.029 0.011 4 2 no 0.398 0 0
1 195 LEU QD 189 no 85.0 65.5 0.117 0.179 0.062 5 2 no 0.559 0 1
1 197 LYS QB 168 no 65.0 22.1 0.041 0.187 0.145 5 0 no 0.526 0 2
1 197 LYS QD 274 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 197 LYS QE 260 no 60.0 3.9 0.454 11.685 11.230 2 1 yes 3.488 27 27
1 197 LYS QG 259 no 65.0 22.9 3.099 13.557 10.458 2 1 yes 4.238 20 32
1 198 GLN QG 273 no 65.0 9.1 0.037 0.400 0.363 1 0 yes 1.099 1 12
1 199 ILE QG 272 no 100.0 99.9 0.005 0.005 0.000 1 0 no 0.143 0 0
1 200 GLN QB 130 no 85.0 25.2 0.034 0.134 0.101 7 2 no 0.373 0 0
1 200 GLN QE 24 no 70.0 21.2 0.128 0.603 0.475 13 8 yes 2.102 24 38
1 200 GLN QG 271 yes 100.0 84.7 0.128 0.151 0.023 1 0 no 0.420 0 0
1 201 ILE QG 196 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 203 SER QB 183 no 95.0 12.3 0.042 0.341 0.299 5 1 no 0.121 0 0
1 205 ASN QB 4 yes 100.0 91.9 1.257 1.368 0.111 19 4 no 0.334 0 0
1 205 ASN QD 17 no 100.0 95.0 1.439 1.515 0.076 14 6 no 0.282 0 0
1 206 ASN QB 38 yes 95.0 89.4 1.244 1.392 0.148 11 3 no 0.746 0 1
1 207 GLY QA 123 yes 100.0 93.4 2.075 2.221 0.146 7 1 no 0.553 0 1
1 208 GLN QB 161 yes 100.0 100.0 0.129 0.129 0.000 6 3 no 0.036 0 0
1 208 GLN QE 46 no 100.0 9.1 1.951 21.529 19.578 11 6 yes 4.523 20 31
1 208 GLN QG 188 no 55.0 76.8 0.031 0.041 0.009 5 2 no 0.276 0 0
1 209 PHE QB 140 no 65.0 0.5 0.001 0.149 0.148 6 0 no 0.999 0 3
1 210 GLU QB 195 no 60.0 14.4 0.008 0.058 0.049 4 0 no 0.365 0 0
1 210 GLU QG 194 no 60.0 80.5 0.975 1.213 0.237 4 0 yes 1.288 13 21
1 212 PRO QB 245 no 100.0 64.1 6.864 10.714 3.851 2 0 yes 2.083 20 20
1 212 PRO QD 153 no 100.0 78.2 0.340 0.434 0.095 6 2 no 0.369 0 0
1 212 PRO QG 239 no 95.0 100.0 0.020 0.020 0.000 3 2 no 0.000 0 0
1 214 VAL QG 167 no 85.0 78.0 1.526 1.957 0.431 5 0 yes 1.374 3 3
1 215 LEU QB 139 yes 100.0 89.1 4.956 5.561 0.604 6 0 yes 0.913 0 21
1 216 ILE QG 53 no 100.0 24.9 20.400 81.846 61.446 10 0 yes 5.194 60 72
1 217 ASN QB 37 yes 95.0 95.8 1.410 1.472 0.062 11 3 no 0.775 0 1
1 219 GLN QB 63 no 100.0 93.8 2.588 2.760 0.172 10 6 no 0.803 0 3
1 219 GLN QE 45 no 100.0 78.2 0.930 1.190 0.259 11 6 no 0.599 0 1
1 219 GLN QG 83 no 70.0 64.3 1.418 2.205 0.787 9 7 yes 1.287 6 11
1 220 ASN QB 81 no 25.0 33.9 0.240 0.708 0.468 9 5 yes 2.888 1 3
1 220 ASN QD 214 no 40.0 12.8 0.018 0.143 0.124 4 4 no 0.000 0 0
1 221 GLN QB 108 no 85.0 100.0 0.004 0.004 0.000 8 4 no 0.000 0 0
1 221 GLN QE 82 yes 95.0 63.9 0.280 0.439 0.158 9 7 no 0.803 0 2
1 221 GLN QG 191 no 100.0 99.7 5.085 5.102 0.016 5 3 no 0.306 0 0
1 222 ARG QB 217 yes 95.0 98.2 0.164 0.167 0.003 3 0 no 0.169 0 0
1 222 ARG QG 166 yes 95.0 21.8 6.025 27.615 21.590 5 0 yes 5.038 20 20
1 223 VAL QG 77 no 100.0 99.2 5.271 5.315 0.044 9 4 no 0.775 0 1
1 225 ILE QG 244 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 227 ASN QB 243 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 227 ASN QD 193 no 40.0 2.4 0.001 0.029 0.028 4 0 no 0.597 0 1
1 228 VAL QG 54 no 75.0 33.1 0.241 0.728 0.487 10 1 no 0.850 0 8
1 229 ASP QB 138 no 100.0 92.8 0.334 0.360 0.026 6 0 no 0.155 0 0
1 232 VAL QG 270 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 233 VAL QG 165 yes 100.0 87.3 0.224 0.256 0.033 5 0 no 0.212 0 0
1 235 SER QB 164 no 40.0 99.0 0.550 0.555 0.005 5 0 no 0.189 0 0
1 237 ILE QG 269 no 85.0 34.0 8.519 25.063 16.544 1 0 yes 5.438 20 20
1 239 LEU QB 112 yes 100.0 41.5 0.150 0.362 0.212 7 0 no 0.409 0 0
1 239 LEU QD 242 yes 100.0 94.7 2.317 2.446 0.130 2 0 no 0.419 0 0
1 240 LEU QB 216 yes 85.0 14.3 6.495 45.325 38.830 3 0 yes 7.695 20 20
1 240 LEU QD 268 no 30.0 14.2 0.020 0.142 0.122 1 0 no 0.623 0 2
1 241 PRO QD 58 yes 100.0 14.3 4.292 29.909 25.617 10 3 yes 4.707 20 48
1 242 ASN QB 16 no 85.0 87.9 0.191 0.217 0.026 14 6 no 0.291 0 0
1 242 ASN QD 20 no 65.0 25.9 0.033 0.129 0.095 14 8 yes 1.536 1 2
1 243 ARG QB 137 no 85.0 90.3 0.319 0.353 0.034 6 0 no 0.485 0 0
1 243 ARG QG 111 yes 80.0 70.0 0.208 0.298 0.089 7 0 no 0.723 0 2
1 244 ASN QB 107 no 45.0 6.6 0.010 0.157 0.147 8 4 no 0.564 0 1
1 244 ASN QD 136 no 100.0 89.0 0.685 0.769 0.084 7 4 no 0.564 0 1
1 245 ASN QB 60 no 70.0 56.7 0.049 0.087 0.038 10 4 no 0.391 0 0
1 245 ASN QD 5 yes 100.0 66.0 0.859 1.302 0.443 17 5 no 0.445 0 0
1 246 MET QB 98 yes 100.0 81.0 0.944 1.166 0.222 8 2 no 0.740 0 1
1 246 MET QG 187 no 100.0 75.2 0.207 0.275 0.068 5 2 no 0.299 0 0
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