NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574596 |
2mgy   |
19608 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mgy
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 238
_Stereo_assign_list.Swap_count 11
_Stereo_assign_list.Swap_percentage 4.6
_Stereo_assign_list.Deassign_count 21
_Stereo_assign_list.Deassign_percentage 8.8
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 91.416
_Stereo_assign_list.Total_e_high_states 819.473
_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 MET QB 140 no 60.0 4.6 0.002 0.040 0.038 9 6 no 0.302 0 0
1 1 MET QG 184 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 2 PRO QD 221 no 70.0 90.3 0.515 0.570 0.055 3 2 no 0.302 0 0
1 5 TRP QB 132 no 100.0 99.6 3.290 3.303 0.013 9 3 no 0.304 0 0
1 6 VAL QG 135 no 100.0 99.1 8.813 8.896 0.083 9 4 no 0.313 0 0
1 7 PRO QB 161 no 65.0 49.6 0.036 0.072 0.036 8 5 no 0.143 0 0
1 7 PRO QD 122 no 100.0 97.3 0.522 0.536 0.015 10 5 no 0.000 0 0
1 7 PRO QG 84 no 100.0 93.9 3.437 3.660 0.224 12 3 no 0.303 0 0
1 9 VAL QG 69 no 100.0 99.9 8.568 8.580 0.012 13 4 no 0.304 0 0
1 10 GLY QA 123 no 90.0 100.0 0.127 0.127 0.000 10 6 no 0.000 0 0
1 11 LEU QB 29 no 100.0 97.2 1.800 1.851 0.051 18 7 no 0.315 0 0
1 11 LEU QD 8 no 100.0 99.1 29.129 29.406 0.277 39 12 no 0.313 0 0
1 13 LEU QB 31 no 100.0 99.7 1.402 1.406 0.004 18 10 no 0.256 0 0
1 13 LEU QD 72 no 100.0 99.9 3.841 3.845 0.003 13 5 no 0.243 0 0
1 14 VAL QG 13 no 100.0 99.6 26.032 26.128 0.096 25 8 no 0.306 0 0
1 15 PRO QD 89 no 100.0 99.0 4.497 4.541 0.044 12 4 no 0.302 0 0
1 15 PRO QG 219 no 80.0 100.0 0.056 0.056 0.000 3 0 no 0.000 0 0
1 16 SER QB 121 no 100.0 96.2 1.207 1.255 0.048 10 5 no 0.302 0 0
1 17 LEU QB 77 no 100.0 99.3 1.536 1.548 0.012 13 6 no 0.303 0 0
1 17 LEU QD 79 no 100.0 99.7 4.953 4.967 0.014 13 7 no 0.271 0 0
1 18 GLY QA 57 no 100.0 96.9 0.816 0.842 0.026 14 5 no 0.306 0 0
1 19 GLY QA 218 no 100.0 100.0 0.056 0.056 0.000 3 0 no 0.000 0 0
1 20 PHE QB 116 no 95.0 96.3 1.208 1.255 0.047 10 4 no 0.264 0 0
1 20 PHE QD 182 no 20.0 22.7 0.017 0.074 0.057 6 3 no 0.383 0 0
1 21 MET QB 104 no 100.0 98.5 0.491 0.498 0.008 11 5 no 0.246 0 0
1 21 MET QG 212 no 55.0 95.1 0.597 0.628 0.031 4 2 no 0.000 0 0
1 22 GLY QA 173 no 100.0 82.2 1.908 2.320 0.412 7 4 no 0.041 0 0
1 24 TYR QB 115 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 24 TYR QD 120 yes 85.0 81.0 4.538 5.601 1.063 10 5 yes 1.592 6 10
1 25 PHE QB 61 no 100.0 37.6 2.000 5.316 3.317 14 6 yes 2.237 3 3
1 25 PHE QD 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 PHE QE 217 yes 90.0 95.6 0.669 0.700 0.031 3 0 no 0.749 0 1
1 26 VAL QG 16 no 100.0 99.6 2.415 2.424 0.009 23 6 no 0.301 0 0
1 27 ARG QB 119 no 90.0 96.0 1.223 1.274 0.051 10 5 no 0.000 0 0
1 27 ARG QG 168 no 100.0 99.7 2.228 2.235 0.007 7 3 no 0.212 0 0
1 28 GLY QA 157 no 95.0 96.2 0.435 0.452 0.017 8 4 no 0.299 0 0
1 29 GLU QB 164 no 95.0 99.6 0.966 0.970 0.004 7 2 no 0.260 0 0
1 29 GLU QG 220 no 55.0 83.0 0.006 0.007 0.001 3 1 no 0.093 0 0
1 30 GLY QA 199 no 100.0 98.3 1.508 1.534 0.026 5 2 no 0.301 0 0
1 31 LEU QB 203 no 100.0 100.0 0.006 0.006 0.000 5 3 no 0.000 0 0
1 31 LEU QD 114 no 100.0 93.1 1.263 1.357 0.093 10 4 no 0.311 0 0
1 32 ARG QB 134 no 60.0 95.3 0.539 0.566 0.027 9 4 no 0.303 0 0
1 32 ARG QG 167 no 90.0 48.5 0.003 0.007 0.003 7 3 no 0.237 0 0
1 33 TRP QB 56 no 100.0 99.0 2.241 2.263 0.022 14 5 no 0.303 0 0
1 34 TYR QB 160 no 100.0 99.0 4.166 4.209 0.043 8 5 no 0.304 0 0
1 34 TYR QD 181 no 60.0 0.9 0.078 8.239 8.161 6 3 yes 2.547 47 56
1 34 TYR QE 209 no 60.0 43.1 2.912 6.757 3.845 4 1 yes 2.947 35 48
1 36 GLY QA 198 no 100.0 100.0 0.173 0.173 0.000 5 2 no 0.000 0 0
1 37 LEU QB 78 no 100.0 100.0 1.093 1.093 0.000 13 7 no 0.008 0 0
1 37 LEU QD 6 no 100.0 98.3 6.072 6.176 0.104 42 22 no 0.314 0 0
1 38 GLN QB 156 no 80.0 83.5 0.040 0.048 0.008 8 4 no 0.261 0 0
1 38 GLN QE 155 no 45.0 82.3 0.213 0.259 0.046 8 4 no 0.306 0 0
1 38 GLN QG 197 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 39 LYS QB 35 no 100.0 60.5 4.589 7.585 2.996 17 14 yes 2.573 23 24
1 39 LYS QD 81 no 30.0 16.8 0.021 0.128 0.106 13 11 no 0.131 0 0
1 39 LYS QE 20 no 100.0 68.4 7.023 10.270 3.247 21 16 yes 3.027 11 11
1 39 LYS QG 22 no 100.0 98.2 2.870 2.922 0.052 20 17 no 0.304 0 0
1 40 PRO QB 28 no 100.0 98.2 2.772 2.824 0.051 18 6 no 0.302 0 0
1 40 PRO QD 80 no 100.0 97.0 0.515 0.531 0.016 13 9 no 0.241 0 0
1 40 PRO QG 34 no 100.0 90.9 0.774 0.851 0.077 17 7 no 0.314 0 0
1 42 TRP QB 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 PRO QB 113 no 100.0 95.9 2.301 2.400 0.099 10 3 no 0.318 0 0
1 44 PRO QD 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 PRO QG 174 no 35.0 45.6 0.043 0.095 0.052 6 0 no 0.305 0 0
1 45 PRO QB 149 no 20.0 45.2 0.079 0.174 0.095 8 2 no 0.311 0 0
1 45 PRO QD 131 no 100.0 98.2 2.086 2.124 0.037 9 3 no 0.307 0 0
1 45 PRO QG 163 no 100.0 99.1 1.396 1.409 0.013 7 1 no 0.300 0 0
1 46 ARG QB 106 no 70.0 99.5 0.096 0.097 0.000 11 7 no 0.073 0 0
1 46 ARG QD 186 no 20.0 61.9 0.001 0.001 0.000 6 5 no 0.073 0 0
1 46 ARG QG 141 no 80.0 98.4 0.450 0.457 0.007 9 7 no 0.299 0 0
1 47 TRP QB 177 no 100.0 99.8 0.769 0.771 0.002 6 1 no 0.186 0 0
1 49 LEU QB 88 no 90.0 79.1 0.079 0.100 0.021 12 4 no 0.301 0 0
1 49 LEU QD 15 no 95.0 97.8 2.056 2.102 0.046 24 8 no 0.276 0 0
1 51 PRO QB 227 no 15.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 51 PRO QD 126 no 100.0 99.3 0.810 0.816 0.006 9 0 no 0.307 0 0
1 51 PRO QG 216 no 40.0 76.6 0.030 0.039 0.009 3 0 no 0.302 0 0
1 52 ILE QG 107 no 55.0 100.0 0.044 0.044 0.000 10 0 no 0.000 0 0
1 53 TRP QB 109 no 100.0 98.1 0.053 0.054 0.001 10 2 no 0.099 0 0
1 54 GLY QA 193 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 56 LEU QB 37 no 100.0 100.0 1.460 1.460 0.000 16 6 no 0.033 0 0
1 56 LEU QD 2 no 100.0 53.2 3.627 6.820 3.193 50 20 no 0.330 0 0
1 57 TYR QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 57 TYR QD 225 yes 85.0 93.0 1.169 1.256 0.088 2 0 no 0.875 0 3
1 58 SER QB 188 no 45.0 57.4 0.013 0.023 0.010 5 0 no 0.244 0 0
1 60 MET QB 143 no 95.0 82.6 0.342 0.414 0.072 8 0 no 0.303 0 0
1 60 MET QG 202 no 5.0 100.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 61 GLY QA 192 no 100.0 100.0 0.085 0.085 0.000 5 1 no 0.000 0 0
1 62 TYR QB 62 no 100.0 41.9 5.678 13.547 7.869 14 7 no 0.303 0 0
1 62 TYR QD 196 yes 100.0 100.0 0.794 0.794 0.000 5 2 no 0.000 0 0
1 62 TYR QE 232 yes 100.0 100.0 0.743 0.743 0.000 2 1 no 0.000 0 0
1 63 GLY QA 51 no 100.0 99.4 1.039 1.046 0.006 14 3 no 0.206 0 0
1 64 SER QB 206 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 TYR QB 162 no 100.0 100.0 0.314 0.314 0.000 7 1 no 0.000 0 0
1 65 TYR QD 103 yes 100.0 99.8 27.728 27.777 0.049 11 4 no 0.304 0 0
1 65 TYR QE 204 no 70.0 96.2 0.234 0.243 0.009 5 5 no 0.811 0 2
1 66 ILE QG 112 no 80.0 100.0 0.102 0.102 0.000 10 3 no 0.001 0 0
1 67 VAL QG 1 no 100.0 99.3 25.434 25.616 0.182 55 23 no 0.314 0 0
1 68 TRP QB 19 no 100.0 99.8 3.118 3.125 0.007 21 8 no 0.210 0 0
1 69 LYS QB 21 no 95.0 13.7 0.004 0.030 0.026 20 11 no 0.303 0 0
1 69 LYS QD 64 no 95.0 85.8 1.555 1.812 0.256 14 9 yes 1.720 2 3
1 69 LYS QE 67 no 60.0 71.5 0.088 0.123 0.035 14 10 no 0.303 0 0
1 69 LYS QG 40 no 100.0 100.0 1.222 1.222 0.000 16 10 no 0.000 0 0
1 70 GLU QB 36 no 100.0 99.7 1.030 1.033 0.003 16 6 no 0.231 0 0
1 70 GLU QG 30 no 100.0 91.0 0.922 1.013 0.091 18 8 no 0.303 0 0
1 71 LEU QB 76 no 100.0 96.8 0.802 0.829 0.026 13 6 no 0.302 0 0
1 71 LEU QD 7 no 100.0 98.2 6.321 6.440 0.119 40 15 no 0.315 0 0
1 72 GLY QA 172 no 100.0 97.7 0.352 0.361 0.008 7 4 no 0.315 0 0
1 73 GLY QA 94 no 45.0 13.6 0.015 0.109 0.094 12 6 no 0.311 0 0
1 74 PHE QB 63 no 100.0 99.8 1.862 1.866 0.004 14 9 no 0.106 0 0
1 74 PHE QD 139 no 85.0 79.8 6.969 8.734 1.765 9 6 yes 2.438 6 7
1 74 PHE QE 102 no 85.0 79.8 18.270 22.885 4.615 11 4 yes 4.421 10 16
1 76 GLU QB 191 no 100.0 90.9 0.184 0.203 0.019 5 1 no 0.306 0 0
1 76 GLU QG 190 no 95.0 93.2 0.275 0.295 0.020 5 1 no 0.269 0 0
1 77 ASP QB 55 no 100.0 97.3 1.545 1.588 0.043 14 5 no 0.302 0 0
1 79 MET QB 93 no 100.0 92.4 0.540 0.585 0.045 12 6 no 0.114 0 0
1 79 MET QG 33 no 100.0 84.2 0.280 0.332 0.052 17 7 no 0.310 0 0
1 80 VAL QG 118 no 100.0 100.0 1.866 1.866 0.000 10 5 no 0.000 0 0
1 81 PRO QB 111 no 100.0 99.7 0.612 0.613 0.002 10 3 no 0.167 0 0
1 81 PRO QD 27 no 100.0 99.6 1.765 1.772 0.008 18 6 no 0.186 0 0
1 81 PRO QG 142 no 100.0 100.0 0.371 0.371 0.000 8 0 no 0.000 0 0
1 82 LEU QB 23 no 100.0 58.8 2.899 4.932 2.033 19 10 yes 3.051 6 6
1 82 LEU QD 4 no 100.0 92.7 20.744 22.372 1.628 47 23 yes 2.625 6 6
1 83 GLY QA 127 no 100.0 100.0 0.233 0.233 0.000 9 2 no 0.000 0 0
1 84 LEU QB 101 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 84 LEU QD 153 no 100.0 99.5 12.332 12.395 0.063 8 3 no 0.302 0 0
1 85 TYR QB 50 no 100.0 100.0 1.979 1.980 0.001 14 2 no 0.139 0 0
1 85 TYR QD 148 yes 75.0 70.3 6.440 9.164 2.724 8 2 yes 3.404 5 5
1 85 TYR QE 208 yes 75.0 80.6 10.376 12.878 2.503 4 1 yes 2.905 10 10
1 87 GLY QA 108 no 100.0 99.9 0.539 0.539 0.000 10 2 no 0.073 0 0
1 88 GLN QB 60 no 100.0 99.3 0.443 0.446 0.003 14 6 no 0.198 0 0
1 88 GLN QE 159 no 100.0 89.1 0.151 0.169 0.018 8 5 no 0.284 0 0
1 88 GLN QG 68 no 100.0 99.1 6.049 6.103 0.053 13 4 no 0.303 0 0
1 89 LEU QB 59 no 100.0 97.7 3.290 3.366 0.076 14 6 no 0.018 0 0
1 89 LEU QD 9 no 100.0 98.7 49.913 50.590 0.677 38 10 no 0.449 0 0
1 91 LEU QB 152 no 25.0 100.0 0.001 0.001 0.000 8 3 no 0.000 0 0
1 91 LEU QD 87 no 100.0 96.6 2.344 2.425 0.081 12 4 no 0.308 0 0
1 92 ASN QB 83 no 100.0 97.6 4.944 5.064 0.119 12 3 no 0.311 0 0
1 92 ASN QD 180 no 50.0 100.0 0.050 0.050 0.000 6 2 no 0.000 0 0
1 93 TRP QB 130 no 55.0 100.0 0.237 0.237 0.000 9 3 no 0.000 0 0
1 95 TRP QB 46 no 100.0 97.7 3.538 3.622 0.084 15 8 no 0.314 0 0
1 97 PRO QB 238 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 97 PRO QD 237 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 97 PRO QG 236 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 98 ILE QG 24 no 100.0 93.4 2.872 3.074 0.202 18 4 yes 1.741 1 1
1 99 PHE QB 171 no 60.0 22.8 0.137 0.601 0.464 7 4 no 0.192 0 0
1 99 PHE QD 201 no 95.0 96.0 4.184 4.360 0.175 5 3 yes 1.453 1 2
1 99 PHE QE 151 no 95.0 94.2 31.161 33.094 1.933 8 3 yes 4.038 4 5
1 100 PHE QB 200 no 15.0 99.0 0.003 0.003 0.000 5 3 no 0.000 0 0
1 100 PHE QD 207 no 95.0 100.0 0.016 0.016 0.000 4 1 no 0.378 0 0
1 100 PHE QE 166 yes 90.0 91.1 5.693 6.246 0.553 7 3 yes 2.464 3 3
1 101 GLY QA 150 no 100.0 99.5 0.858 0.862 0.005 8 3 no 0.299 0 0
1 103 ARG QB 129 no 35.0 100.0 0.036 0.036 0.000 9 3 no 0.000 0 0
1 103 ARG QD 133 no 50.0 82.1 0.183 0.223 0.040 9 4 no 0.303 0 0
1 103 ARG QG 138 no 80.0 97.7 0.601 0.615 0.014 9 5 no 0.290 0 0
1 104 GLN QB 92 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 104 GLN QE 165 no 100.0 99.0 3.030 3.060 0.030 7 3 no 0.301 0 0
1 104 GLN QG 66 no 80.0 98.6 2.513 2.549 0.035 14 10 no 0.297 0 0
1 105 MET QB 147 no 95.0 99.1 0.422 0.426 0.004 8 2 no 0.277 0 0
1 105 MET QG 146 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.155 0 0
1 106 GLY QA 43 no 70.0 97.4 1.556 1.597 0.041 15 6 no 0.302 0 0
1 107 TRP QB 125 no 80.0 100.0 0.054 0.054 0.000 9 0 no 0.000 0 0
1 109 LEU QB 45 no 100.0 99.9 2.500 2.503 0.003 15 8 no 0.156 0 0
1 109 LEU QD 75 no 100.0 96.4 2.195 2.277 0.082 13 6 no 0.316 0 0
1 111 ASP QB 100 no 70.0 58.9 0.001 0.001 0.000 11 4 no 0.064 0 0
1 112 LEU QB 128 no 100.0 100.0 0.305 0.305 0.000 9 3 no 0.000 0 0
1 112 LEU QD 117 no 100.0 99.7 3.526 3.536 0.010 10 5 no 0.306 0 0
1 113 LEU QB 91 no 100.0 0.0 0.000 0.000 0.000 12 5 no 0.000 0 0
1 113 LEU QD 74 no 100.0 100.0 0.671 0.671 0.000 13 6 no 0.000 0 0
1 114 LEU QB 42 no 100.0 100.0 0.119 0.119 0.000 15 4 no 0.000 0 0
1 114 LEU QD 38 no 100.0 100.0 1.485 1.485 0.000 16 8 no 0.064 0 0
1 115 VAL QG 14 no 100.0 99.9 12.061 12.072 0.011 24 6 no 0.311 0 0
1 116 SER QB 211 no 100.0 0.0 0.000 0.002 0.002 4 2 no 0.213 0 0
1 117 GLY QA 110 no 10.0 100.0 0.005 0.005 0.000 10 3 no 0.000 0 0
1 118 VAL QG 17 no 100.0 99.2 9.191 9.265 0.073 22 7 no 0.307 0 0
1 124 LEU QB 145 no 100.0 100.0 2.885 2.885 0.000 8 2 no 0.046 0 0
1 124 LEU QD 86 no 100.0 99.4 5.153 5.186 0.033 12 4 no 0.301 0 0
1 126 TRP QB 144 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
1 127 HIS QB 48 no 100.0 95.9 0.821 0.856 0.035 14 1 no 0.303 0 0
1 128 ARG QB 58 no 100.0 99.2 0.054 0.054 0.000 14 6 no 0.092 0 0
1 128 ARG QD 154 no 85.0 98.8 3.339 3.380 0.041 8 4 no 0.303 0 0
1 128 ARG QG 158 no 10.0 100.0 0.000 0.000 0.000 8 5 no 0.000 0 0
1 129 VAL QG 18 no 100.0 99.9 30.411 30.438 0.027 22 10 no 0.286 0 0
1 130 SER QB 179 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 131 PRO QB 235 no 100.0 100.0 0.009 0.009 0.000 1 0 no 0.108 0 0
1 131 PRO QD 234 no 100.0 97.6 0.171 0.175 0.004 1 0 no 0.164 0 0
1 132 PRO QB 205 no 100.0 100.0 0.093 0.093 0.000 4 0 no 0.000 0 0
1 132 PRO QG 187 no 100.0 98.8 3.103 3.141 0.038 5 0 no 0.303 0 0
1 135 ARG QB 65 no 100.0 6.3 0.846 13.407 12.561 14 10 no 0.308 0 0
1 135 ARG QD 124 no 70.0 80.7 0.073 0.091 0.018 10 8 no 0.258 0 0
1 135 ARG QG 95 no 100.0 73.3 6.846 9.343 2.497 12 7 no 0.146 0 0
1 136 LEU QB 25 no 90.0 94.5 0.165 0.175 0.010 18 5 no 0.278 0 0
1 136 LEU QD 12 no 100.0 98.2 31.216 31.803 0.586 33 14 no 0.303 0 0
1 137 LEU QB 73 no 100.0 98.4 1.593 1.618 0.026 13 6 no 0.300 0 0
1 137 LEU QD 11 no 100.0 99.6 9.540 9.578 0.038 35 18 no 0.305 0 0
1 138 TYR QB 54 no 95.0 93.4 0.162 0.173 0.011 14 5 no 0.258 0 0
1 138 TYR QD 97 yes 100.0 99.7 26.106 26.191 0.085 12 9 no 0.308 0 0
1 139 PRO QD 90 no 100.0 46.6 7.103 15.241 8.139 12 5 no 0.301 0 0
1 139 PRO QG 195 no 100.0 98.5 3.008 3.053 0.045 5 2 no 0.305 0 0
1 140 TYR QB 47 no 100.0 96.9 1.957 2.019 0.062 15 10 no 0.311 0 0
1 140 TYR QD 105 yes 100.0 99.9 17.975 18.002 0.027 11 7 no 0.304 0 0
1 141 LEU QB 99 no 100.0 31.4 1.150 3.663 2.513 11 4 no 0.000 0 0
1 141 LEU QD 26 no 45.0 29.1 0.886 3.040 2.154 18 6 no 0.316 0 0
1 143 TRP QB 41 no 100.0 99.1 1.180 1.190 0.010 15 4 no 0.299 0 0
1 144 LEU QB 71 no 100.0 100.0 0.111 0.111 0.000 13 5 no 0.000 0 0
1 144 LEU QD 10 no 100.0 97.9 3.693 3.773 0.080 37 14 no 0.317 0 0
1 146 PHE QB 49 no 100.0 100.0 1.089 1.089 0.000 14 2 no 0.000 0 0
1 146 PHE QD 52 no 90.0 91.8 16.213 17.669 1.456 14 4 yes 2.164 9 13
1 146 PHE QE 185 no 90.0 93.2 7.083 7.597 0.514 6 5 no 0.278 0 0
1 149 VAL QG 32 no 100.0 96.4 4.922 5.108 0.185 17 4 yes 1.072 1 5
1 150 LEU QB 53 no 75.0 89.0 0.945 1.062 0.117 14 5 no 0.000 0 0
1 150 LEU QD 3 no 100.0 93.0 10.742 11.554 0.812 48 24 yes 2.394 2 4
1 151 ASN QB 176 no 20.0 100.0 0.002 0.002 0.000 6 1 no 0.001 0 0
1 151 ASN QD 215 no 95.0 97.3 0.014 0.014 0.000 3 0 no 0.245 0 0
1 152 TYR QB 82 no 100.0 97.2 0.233 0.239 0.007 12 3 no 0.185 0 0
1 152 TYR QD 170 no 75.0 69.9 2.065 2.955 0.890 7 4 yes 1.283 9 10
1 153 TYR QB 44 no 100.0 93.2 0.326 0.350 0.024 15 8 no 0.302 0 0
1 153 TYR QD 214 no 35.0 86.8 0.032 0.037 0.005 3 0 no 0.237 0 0
1 153 TYR QE 231 no 100.0 100.0 0.000 0.000 0.000 2 1 no 0.008 0 0
1 154 VAL QG 5 no 100.0 99.3 17.499 17.630 0.130 42 18 no 0.310 0 0
1 155 TRP QB 98 no 100.0 86.3 0.286 0.331 0.045 11 3 no 0.300 0 0
1 156 ARG QB 96 no 100.0 100.0 0.234 0.234 0.000 12 8 no 0.000 0 0
1 156 ARG QD 39 no 100.0 99.6 0.547 0.549 0.002 16 10 no 0.163 0 0
1 156 ARG QG 137 no 100.0 0.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 157 ASP QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 ASN QB 136 no 30.0 71.5 0.105 0.147 0.042 9 5 no 0.314 0 0
1 158 ASN QD 194 no 100.0 0.0 0.000 0.031 0.031 5 2 no 0.319 0 0
1 161 ARG QB 169 no 50.0 90.9 0.018 0.020 0.002 7 4 no 0.173 0 0
1 161 ARG QD 210 no 65.0 94.1 0.122 0.130 0.008 4 2 no 0.217 0 0
1 161 ARG QG 183 no 90.0 0.6 0.000 0.005 0.005 6 4 no 0.266 0 0
1 162 ARG QB 213 no 40.0 79.3 0.045 0.057 0.012 4 3 no 0.281 0 0
1 162 ARG QD 233 no 100.0 0.0 0.000 0.012 0.012 2 2 no 0.281 0 0
1 162 ARG QG 189 no 15.0 94.5 0.028 0.029 0.002 5 1 no 0.155 0 0
1 165 SER QB 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 166 ARG QB 85 no 100.0 97.5 1.340 1.374 0.034 12 4 no 0.311 0 0
1 166 ARG QG 175 no 60.0 94.5 0.047 0.050 0.003 6 1 no 0.195 0 0
1 167 LEU QB 178 no 20.0 91.3 0.194 0.212 0.018 6 2 no 0.303 0 0
1 167 LEU QD 70 no 90.0 97.4 5.167 5.307 0.140 13 5 no 0.311 0 0
1 169 GLU QB 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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