NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518845 |
2lej   |
17714 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lej
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 205
_Stereo_assign_list.Swap_count 12
_Stereo_assign_list.Swap_percentage 5.9
_Stereo_assign_list.Deassign_count 20
_Stereo_assign_list.Deassign_percentage 9.8
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 143.455
_Stereo_assign_list.Total_e_high_states 1783.843
_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 3 MET QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 ASP QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 PRO QB 190 no 70.0 97.8 1.503 1.536 0.033 2 0 no 0.700 0 1
1 5 PRO QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 PRO QG 188 no 100.0 100.0 0.328 0.328 0.000 2 0 no 0.003 0 0
1 7 GLN QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 GLY QA 205 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 12 HIS QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 13 SER QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 GLN QB 154 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 14 GLN QE 123 no 100.0 100.0 1.472 1.472 0.000 7 0 no 0.014 0 0
1 14 GLN QG 113 no 100.0 100.0 0.864 0.864 0.000 8 3 no 0.000 0 0
1 15 TRP QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 ASN QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 ASN QD 132 no 75.0 47.8 0.776 1.623 0.846 6 0 yes 2.771 2 10
1 17 LYS QB 203 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 17 LYS QG 202 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 18 PRO QB 167 no 100.0 100.0 1.823 1.823 0.000 3 0 no 0.029 0 0
1 18 PRO QD 85 no 100.0 100.0 0.184 0.184 0.000 10 4 no 0.000 0 0
1 18 PRO QG 204 no 70.0 100.0 1.174 1.174 0.000 1 0 no 0.022 0 0
1 19 SER QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LYS QB 201 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 20 LYS QD 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LYS QG 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 PRO QD 140 no 100.0 100.0 0.441 0.441 0.000 6 2 no 0.000 0 0
1 21 PRO QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 LYS QB 38 no 100.0 100.0 0.244 0.244 0.000 15 5 no 0.000 0 0
1 22 LYS QD 200 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 22 LYS QE 161 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.012 0 0
1 22 LYS QG 135 no 65.0 99.0 0.195 0.197 0.002 6 1 no 0.111 0 0
1 24 ASN QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 MET QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 LYS QB 147 no 100.0 100.0 0.297 0.297 0.000 5 0 no 0.003 0 0
1 26 LYS QG 122 no 100.0 100.0 0.585 0.585 0.000 7 0 no 0.000 0 0
1 28 MET QB 106 no 100.0 0.0 0.000 0.109 0.109 8 0 no 0.733 0 3
1 28 MET QG 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 GLY QA 90 no 100.0 94.7 0.277 0.292 0.016 10 6 no 0.265 0 0
1 37 VAL QG 63 no 100.0 99.1 6.235 6.292 0.057 12 3 no 0.285 0 0
1 38 VAL QG 22 no 100.0 61.9 10.852 17.541 6.689 18 6 no 0.027 0 0
1 40 GLY QA 117 no 100.0 100.0 4.375 4.375 0.000 8 4 no 0.000 0 0
1 41 LEU QB 14 no 100.0 100.0 3.369 3.369 0.000 21 10 no 0.000 0 0
1 41 LEU QD 2 no 100.0 92.2 20.822 22.583 1.761 28 13 no 0.138 0 0
1 42 GLY QA 145 no 100.0 99.9 2.538 2.541 0.003 6 4 no 0.088 0 0
1 43 GLY QA 87 no 100.0 100.0 4.243 4.243 0.000 10 5 no 0.030 0 0
1 44 TYR QB 50 no 100.0 98.0 4.490 4.583 0.093 14 6 no 0.531 0 1
1 44 TYR QD 10 no 100.0 99.8 60.155 60.266 0.111 24 10 no 0.278 0 0
1 44 TYR QE 69 no 100.0 100.0 43.154 43.162 0.009 12 6 no 0.388 0 0
1 45 MET QB 23 no 100.0 99.8 3.899 3.908 0.010 18 7 no 0.261 0 0
1 45 MET QG 71 no 100.0 100.0 2.080 2.080 0.000 12 7 no 0.000 0 0
1 46 LEU QB 62 no 100.0 100.0 0.113 0.113 0.000 13 9 no 0.004 0 0
1 46 LEU QD 1 no 100.0 84.5 20.082 23.763 3.680 36 22 no 0.090 0 0
1 47 GLY QA 27 no 100.0 71.1 5.248 7.386 2.137 18 10 no 0.000 0 0
1 48 SER QB 125 no 100.0 98.7 1.278 1.294 0.017 7 1 no 0.276 0 0
1 50 MET QB 150 no 100.0 100.0 0.651 0.651 0.000 5 1 no 0.000 0 0
1 51 SER QB 155 no 25.0 100.0 0.002 0.002 0.000 4 0 no 0.000 0 0
1 52 ARG QB 152 no 100.0 100.0 0.188 0.188 0.000 5 2 no 0.000 0 0
1 52 ARG QG 199 no 100.0 0.0 0.000 0.038 0.038 2 2 no 0.000 0 0
1 53 PRO QB 96 no 100.0 99.8 2.715 2.721 0.006 9 2 no 0.249 0 0
1 53 PRO QD 139 no 90.0 100.0 0.187 0.187 0.000 6 2 no 0.011 0 0
1 53 PRO QG 102 no 100.0 99.9 1.119 1.119 0.001 9 5 no 0.092 0 0
1 54 ILE QG 64 no 100.0 100.0 0.449 0.449 0.000 12 4 no 0.004 0 0
1 55 ILE QG 12 no 100.0 99.4 5.959 5.992 0.033 23 11 no 0.255 0 0
1 56 HIS QB 146 no 90.0 95.9 0.003 0.003 0.000 5 0 no 0.049 0 0
1 57 PHE QB 193 no 90.0 100.0 0.087 0.087 0.000 2 1 no 0.000 0 0
1 57 PHE QD 26 no 100.0 99.2 74.185 74.801 0.616 18 10 yes 1.006 1 19
1 57 PHE QE 8 no 100.0 99.7 79.160 79.414 0.254 25 12 yes 1.142 2 7
1 58 GLY QA 112 no 100.0 100.0 2.625 2.625 0.000 8 3 no 0.000 0 0
1 59 SER QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 ASP QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 TYR QB 37 no 100.0 99.6 2.137 2.147 0.009 15 4 no 0.342 0 0
1 61 TYR QD 68 no 95.0 94.0 47.053 50.044 2.991 12 6 yes 3.014 6 7
1 61 TYR QE 169 no 95.0 93.4 12.350 13.223 0.873 3 2 yes 2.514 2 2
1 62 GLU QB 53 no 100.0 70.4 2.730 3.876 1.147 14 8 yes 3.461 2 2
1 62 GLU QG 54 no 100.0 67.4 3.695 5.483 1.789 14 10 yes 3.541 3 3
1 64 ARG QB 134 no 100.0 100.0 1.959 1.959 0.000 6 1 no 0.000 0 0
1 64 ARG QG 36 no 100.0 98.8 5.142 5.203 0.060 15 4 no 0.300 0 0
1 65 TYR QB 32 no 100.0 100.0 3.538 3.539 0.000 17 9 no 0.026 0 0
1 65 TYR QD 35 yes 100.0 100.0 48.421 48.432 0.011 15 4 no 0.215 0 0
1 65 TYR QE 34 yes 100.0 99.7 77.738 78.000 0.263 16 9 no 0.631 0 9
1 66 TYR QB 101 no 100.0 100.0 3.661 3.661 0.000 9 5 no 0.016 0 0
1 66 TYR QD 5 yes 100.0 100.0 111.155 111.157 0.002 26 13 no 0.187 0 0
1 66 TYR QE 4 yes 100.0 100.0 139.296 139.305 0.010 27 14 no 0.314 0 0
1 67 ARG QB 116 no 100.0 100.0 0.260 0.260 0.000 8 4 no 0.003 0 0
1 67 ARG QD 44 no 100.0 100.0 0.764 0.764 0.000 15 7 no 0.033 0 0
1 67 ARG QG 40 no 95.0 100.0 0.154 0.154 0.000 15 6 no 0.000 0 0
1 68 GLU QB 100 no 100.0 100.0 2.003 2.003 0.000 9 4 no 0.000 0 0
1 68 GLU QG 95 no 100.0 98.7 4.447 4.507 0.060 9 2 no 0.300 0 0
1 69 ASN QB 83 no 100.0 100.0 0.703 0.703 0.000 11 6 no 0.000 0 0
1 69 ASN QD 56 no 100.0 100.0 5.375 5.375 0.000 13 4 no 0.006 0 0
1 70 MET QB 48 no 100.0 99.9 1.558 1.559 0.001 14 5 no 0.098 0 0
1 70 MET QG 47 no 100.0 98.3 1.516 1.542 0.026 14 5 no 0.300 0 0
1 71 HIS QB 151 no 100.0 97.1 0.864 0.889 0.026 5 2 no 0.300 0 0
1 72 ARG QB 89 no 100.0 100.0 0.097 0.097 0.000 10 6 no 0.000 0 0
1 72 ARG QD 52 no 100.0 100.0 0.196 0.196 0.000 14 8 no 0.001 0 0
1 72 ARG QG 79 no 100.0 100.0 1.235 1.235 0.000 11 4 no 0.018 0 0
1 73 TYR QB 91 no 100.0 100.0 3.887 3.888 0.001 10 7 no 0.098 0 0
1 73 TYR QD 11 no 100.0 97.7 76.096 77.866 1.769 24 17 no 0.187 0 0
1 73 TYR QE 3 no 100.0 60.5 53.968 89.163 35.195 28 18 no 0.009 0 0
1 74 PRO QB 158 no 25.0 100.0 0.002 0.002 0.000 4 1 no 0.000 0 0
1 74 PRO QD 120 no 100.0 99.7 2.884 2.892 0.008 8 5 no 0.314 0 0
1 74 PRO QG 168 no 100.0 99.8 0.263 0.263 0.001 3 2 no 0.094 0 0
1 75 ASN QB 149 no 95.0 100.0 0.193 0.193 0.000 5 1 no 0.000 0 0
1 75 ASN QD 28 no 80.0 35.1 0.163 0.463 0.301 17 3 yes 1.159 1 11
1 76 GLN QB 13 no 100.0 84.9 0.177 0.209 0.032 21 8 no 0.238 0 0
1 76 GLN QE 43 no 100.0 100.0 0.386 0.386 0.000 15 7 no 0.005 0 0
1 76 GLN QG 143 no 100.0 100.0 0.676 0.676 0.000 6 3 no 0.000 0 0
1 77 VAL QG 9 yes 100.0 27.4 2.843 10.364 7.521 24 7 yes 1.289 23 64
1 78 TYR QB 109 no 100.0 28.2 0.019 0.066 0.047 8 2 no 0.273 0 0
1 78 TYR QD 39 yes 100.0 100.0 39.668 39.668 0.000 15 6 no 0.000 0 0
1 78 TYR QE 24 yes 100.0 99.8 86.665 86.822 0.157 18 9 no 0.169 0 0
1 79 TYR QB 124 no 100.0 99.9 0.702 0.703 0.001 7 1 no 0.099 0 0
1 79 TYR QD 119 no 100.0 100.0 40.189 40.204 0.016 8 5 no 0.265 0 0
1 79 TYR QE 61 no 100.0 99.6 43.143 43.329 0.186 13 9 no 0.090 0 0
1 82 MET QB 198 no 100.0 0.0 0.000 0.014 0.014 2 2 no 0.000 0 0
1 82 MET QG 175 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.132 0 0
1 84 GLU QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 GLN QB 144 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 88 GLN QE 165 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 89 ASN QB 78 no 100.0 99.6 0.856 0.860 0.004 11 4 no 0.124 0 0
1 89 ASN QD 108 no 100.0 100.0 0.247 0.247 0.000 8 2 no 0.011 0 0
1 90 ASN QB 115 no 90.0 43.3 1.368 3.162 1.794 8 4 yes 1.524 4 4
1 90 ASN QD 128 no 45.0 100.0 0.011 0.011 0.000 7 3 no 0.000 0 0
1 91 PHE QD 148 yes 80.0 78.7 6.043 7.682 1.639 5 1 yes 2.710 4 8
1 91 PHE QE 94 yes 80.0 79.0 16.254 20.586 4.333 9 2 yes 3.458 11 14
1 92 VAL QG 20 no 100.0 98.8 12.848 13.007 0.158 19 9 no 0.512 0 1
1 93 HIS QB 138 no 100.0 100.0 0.930 0.930 0.000 6 2 no 0.011 0 0
1 95 CYS QB 133 no 100.0 92.3 0.499 0.541 0.042 6 1 no 0.452 0 0
1 96 VAL QG 33 no 100.0 91.8 7.753 8.442 0.689 16 3 yes 1.118 3 17
1 97 ASN QB 74 no 100.0 100.0 1.533 1.533 0.000 11 3 no 0.000 0 0
1 97 ASN QD 73 no 100.0 97.1 0.515 0.531 0.015 11 1 no 0.272 0 0
1 98 ILE QG 66 no 100.0 99.7 3.236 3.245 0.009 12 5 no 0.292 0 0
1 100 ILE QG 160 no 100.0 100.0 0.585 0.585 0.000 4 2 no 0.001 0 0
1 101 LYS QB 46 no 100.0 89.3 0.503 0.563 0.060 14 3 no 0.454 0 0
1 101 LYS QD 77 no 90.0 95.9 1.690 1.762 0.072 11 4 no 0.975 0 2
1 101 LYS QG 98 no 100.0 100.0 0.000 0.000 0.000 9 3 no 0.001 0 0
1 103 HIS QB 17 no 100.0 100.0 0.858 0.858 0.000 19 3 no 0.001 0 0
1 105 VAL QG 72 no 100.0 96.0 2.991 3.116 0.125 11 0 no 0.401 0 0
1 110 LYS QB 42 no 100.0 100.0 1.286 1.286 0.000 15 7 no 0.016 0 0
1 110 LYS QD 142 no 100.0 100.0 0.178 0.178 0.000 6 3 no 0.009 0 0
1 110 LYS QE 111 no 100.0 100.0 1.158 1.158 0.000 8 3 no 0.006 0 0
1 110 LYS QG 118 no 100.0 100.0 0.333 0.333 0.000 8 5 no 0.000 0 0
1 111 GLY QA 110 no 100.0 95.9 2.596 2.706 0.110 8 3 no 0.569 0 1
1 112 GLU QB 16 no 100.0 58.9 8.692 14.754 6.062 20 8 no 0.679 0 1
1 112 GLU QG 59 no 100.0 86.0 3.778 4.394 0.616 13 7 no 0.000 0 0
1 113 ASN QB 80 no 100.0 100.0 0.370 0.370 0.000 11 5 no 0.010 0 0
1 113 ASN QD 97 no 100.0 100.0 5.082 5.082 0.000 9 3 no 0.013 0 0
1 114 PHE QB 15 no 100.0 100.0 1.410 1.410 0.000 20 8 no 0.000 0 0
1 114 PHE QD 7 yes 100.0 100.0 104.739 104.740 0.001 25 12 no 0.103 0 0
1 114 PHE QE 104 yes 100.0 100.0 14.684 14.685 0.001 9 7 no 0.081 0 0
1 116 GLU QB 127 no 100.0 100.0 0.151 0.151 0.000 7 2 no 0.000 0 0
1 116 GLU QG 114 no 100.0 100.0 0.387 0.387 0.000 8 4 no 0.000 0 0
1 118 ASP QB 19 no 100.0 71.1 7.299 10.262 2.964 19 8 no 0.302 0 0
1 119 VAL QG 6 no 100.0 82.0 28.376 34.621 6.245 25 10 no 0.006 0 0
1 120 LYS QB 76 no 100.0 97.2 2.914 2.998 0.085 11 4 no 0.299 0 0
1 120 LYS QD 86 no 100.0 97.1 3.215 3.312 0.098 10 5 no 0.622 0 5
1 120 LYS QE 197 no 100.0 0.0 0.000 0.004 0.004 2 2 no 0.238 0 0
1 120 LYS QG 55 no 100.0 92.1 4.319 4.692 0.373 13 4 no 0.741 0 4
1 121 MET QB 45 no 100.0 99.0 3.402 3.436 0.034 15 9 no 0.560 0 1
1 121 MET QG 51 no 100.0 88.4 0.873 0.987 0.115 14 7 no 0.543 0 1
1 122 MET QB 153 no 100.0 99.3 2.905 2.924 0.019 5 3 no 0.230 0 0
1 122 MET QG 29 no 100.0 99.7 1.994 2.001 0.007 17 4 no 0.190 0 0
1 123 GLU QB 107 no 100.0 95.8 2.208 2.304 0.096 8 1 no 0.332 0 0
1 123 GLU QG 163 no 85.0 96.5 2.251 2.333 0.082 4 3 no 0.622 0 5
1 124 ARG QB 18 no 100.0 95.5 3.436 3.598 0.162 19 7 no 0.489 0 0
1 124 ARG QD 21 no 100.0 98.7 0.694 0.703 0.009 19 10 no 0.288 0 0
1 124 ARG QG 70 no 100.0 95.9 0.349 0.364 0.015 12 7 no 0.138 0 0
1 125 VAL QG 196 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 126 ILE QG 105 no 100.0 100.0 0.349 0.349 0.000 8 0 no 0.000 0 0
1 127 GLU QB 166 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 127 GLU QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 128 GLN QB 75 no 100.0 99.1 5.829 5.883 0.054 11 4 no 0.355 0 0
1 128 GLN QE 25 no 65.0 68.5 0.720 1.050 0.331 18 10 no 0.603 0 7
1 128 GLN QG 31 no 100.0 61.4 10.771 17.532 6.762 17 9 yes 2.198 47 58
1 129 MET QB 162 no 55.0 100.0 0.006 0.006 0.000 4 3 no 0.000 0 0
1 129 MET QG 103 no 55.0 3.4 0.236 7.005 6.769 9 6 yes 1.798 19 49
1 130 CYS QB 195 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 131 ILE QG 121 no 100.0 100.0 1.098 1.098 0.000 7 0 no 0.054 0 0
1 133 GLN QB 126 no 100.0 79.9 1.185 1.484 0.299 7 2 yes 1.004 1 9
1 133 GLN QE 30 no 100.0 80.8 4.472 5.537 1.065 17 6 yes 1.020 1 37
1 133 GLN QG 84 no 100.0 100.0 0.936 0.936 0.000 10 2 no 0.022 0 0
1 134 TYR QB 99 no 100.0 100.0 0.003 0.003 0.000 9 4 no 0.000 0 0
1 134 TYR QD 58 no 100.0 53.8 18.416 34.251 15.835 13 6 yes 5.049 20 20
1 134 TYR QE 88 no 100.0 95.6 28.909 30.228 1.319 10 6 yes 1.704 12 21
1 135 GLU QB 137 no 90.0 100.0 0.308 0.308 0.000 6 2 no 0.000 0 0
1 135 GLU QG 65 no 100.0 100.0 1.243 1.243 0.000 12 5 no 0.000 0 0
1 136 ARG QB 131 no 45.0 99.6 0.441 0.442 0.002 6 0 no 0.143 0 0
1 136 ARG QD 130 no 100.0 0.0 0.000 0.271 0.271 6 0 yes 1.206 2 6
1 136 ARG QG 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 137 GLU QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 SER QB 67 no 100.0 0.0 0.000 0.487 0.487 12 6 no 0.728 0 3
1 139 GLN QB 82 no 100.0 100.0 0.178 0.178 0.000 11 6 no 0.006 0 0
1 139 GLN QE 164 no 60.0 100.0 0.016 0.016 0.000 4 4 no 0.000 0 0
1 139 GLN QG 49 no 55.0 8.4 0.650 7.780 7.130 14 6 no 0.047 0 0
1 141 TYR QD 57 no 100.0 100.0 54.451 54.474 0.023 13 6 no 0.513 0 1
1 142 TYR QB 41 no 100.0 98.2 3.446 3.510 0.063 15 7 no 0.000 0 0
1 142 TYR QD 81 yes 100.0 100.0 29.591 29.591 0.000 11 6 no 0.006 0 0
1 143 GLN QB 60 no 100.0 20.1 2.004 9.972 7.968 13 8 no 0.000 0 0
1 143 GLN QE 141 no 100.0 100.0 0.413 0.413 0.000 6 3 no 0.002 0 0
1 143 GLN QG 136 no 100.0 100.0 2.259 2.259 0.000 6 2 no 0.006 0 0
1 144 ARG QB 93 no 100.0 100.0 1.139 1.139 0.000 9 2 no 0.012 0 0
1 144 ARG QD 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 ARG QG 92 no 100.0 99.9 3.124 3.126 0.002 9 2 no 0.163 0 0
1 145 GLY QA 194 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 146 SER QB 159 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.019 0 0
1 147 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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