NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619361 |
5ue2   |
25485 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5ue2
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 192
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.5
_Stereo_assign_list.Deassign_count 27
_Stereo_assign_list.Deassign_percentage 14.1
_Stereo_assign_list.Model_count 16
_Stereo_assign_list.Total_e_low_states 38.623
_Stereo_assign_list.Total_e_high_states 339.651
_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 10 LEU QB 177 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.128 0 0
1 12 TRP QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 GLN QB 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 GLN QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 TYR QB 51 no 0.0 0.0 0.000 0.205 0.205 8 0 no 0.776 0 5
1 19 LEU QB 44 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.073 0 0
1 19 LEU QD 29 no 93.8 95.4 0.890 0.933 0.043 14 8 no 0.521 0 1
1 20 LYS QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LYS QD 173 no 100.0 0.0 0.000 0.064 0.064 2 0 no 0.471 0 0
1 20 LYS QE 172 no 100.0 0.0 0.000 0.186 0.186 2 0 no 0.913 0 3
1 20 LYS QG 171 no 100.0 0.0 0.000 0.058 0.058 2 0 no 0.494 0 0
1 21 ARG QD 115 no 100.0 0.0 0.000 0.110 0.110 4 0 no 0.666 0 2
1 21 ARG QG 46 no 100.0 86.4 2.481 2.871 0.391 9 0 yes 1.012 1 7
1 24 LEU QB 48 no 100.0 0.0 0.000 0.000 0.000 9 9 no 0.000 0 0
1 24 LEU QD 27 no 100.0 96.8 3.684 3.805 0.121 15 9 no 0.565 0 2
1 25 TYR QB 129 no 100.0 98.1 1.502 1.531 0.029 3 0 no 0.253 0 0
1 33 ASN QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 SER QB 74 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 35 LEU QD 190 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 36 GLU QB 189 no 93.8 66.6 0.094 0.141 0.047 1 0 no 0.476 0 0
1 36 GLU QG 169 no 0.0 0.0 0.000 0.872 0.872 2 0 yes 1.149 8 15
1 38 LYS QB 114 no 100.0 0.0 0.000 0.027 0.027 4 0 no 0.478 0 0
1 39 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 39 LEU QD 62 no 43.8 40.3 0.056 0.138 0.082 7 2 no 0.652 0 1
1 40 LYS QB 113 no 100.0 0.0 0.000 0.019 0.019 4 0 no 0.302 0 0
1 41 GLU QB 112 no 100.0 0.0 0.000 0.023 0.023 4 0 no 0.192 0 0
1 41 GLU QG 37 no 100.0 92.9 2.660 2.863 0.203 10 0 yes 1.011 1 2
1 42 MET QB 111 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.199 0 0
1 42 MET QG 52 no 100.0 0.0 0.000 0.041 0.041 8 2 no 0.521 0 1
1 43 GLN QB 130 no 100.0 93.9 2.040 2.172 0.132 3 2 no 0.690 0 3
1 43 GLN QE 33 no 100.0 2.6 0.007 0.254 0.248 13 5 no 0.970 0 6
1 44 LYS QB 168 no 100.0 0.0 0.000 0.016 0.016 2 0 no 0.150 0 0
1 44 LYS QD 110 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.114 0 0
1 44 LYS QE 167 no 100.0 0.0 0.000 0.050 0.050 2 0 no 0.693 0 1
1 44 LYS QG 73 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 45 PHE QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 PHE QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 48 LEU QB 56 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 48 LEU QD 8 no 100.0 93.7 3.765 4.017 0.252 33 13 no 0.690 0 3
1 49 PRO QB 188 no 100.0 97.7 1.817 1.861 0.044 1 0 no 0.479 0 0
1 49 PRO QG 164 no 100.0 97.9 4.213 4.303 0.091 2 0 no 0.581 0 2
1 50 ILE QG 109 no 100.0 0.0 0.000 0.031 0.031 4 0 no 0.419 0 0
1 52 GLY QA 187 no 100.0 96.6 2.912 3.015 0.103 1 0 no 0.544 0 2
1 53 MET QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 MET QG 162 no 100.0 0.0 0.000 0.011 0.011 2 0 no 0.319 0 0
1 54 LEU QB 85 no 100.0 0.0 0.000 0.000 0.000 5 5 no 0.000 0 0
1 54 LEU QD 16 no 100.0 95.0 10.200 10.732 0.532 21 6 yes 1.152 2 10
1 56 SER QB 108 no 0.0 0.0 0.000 0.037 0.037 4 0 no 0.583 0 1
1 57 ARG QB 107 no 100.0 0.0 0.000 0.015 0.015 4 0 no 0.436 0 0
1 57 ARG QG 106 no 100.0 0.0 0.000 0.015 0.015 4 0 no 0.318 0 0
1 58 VAL QG 13 no 100.0 98.3 9.616 9.780 0.164 25 9 no 0.682 0 4
1 59 ILE QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 ILE QG 160 no 0.0 0.0 0.000 0.233 0.233 2 0 no 0.863 0 6
1 62 MET QG 72 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.022 0 0
1 63 GLN QG 71 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 64 LYS QE 105 no 0.0 0.0 0.000 0.107 0.107 4 0 no 0.965 0 3
1 65 PRO QB 182 no 100.0 0.0 0.000 0.017 0.017 2 2 no 0.000 0 0
1 67 CYS QB 50 no 100.0 0.0 0.000 0.017 0.017 8 0 no 0.501 0 1
1 68 GLY QA 104 no 87.5 100.0 0.048 0.048 0.000 4 0 no 0.000 0 0
1 69 VAL QG 21 no 100.0 89.6 4.865 5.430 0.565 18 2 yes 1.140 2 13
1 72 VAL QG 20 no 100.0 97.6 12.770 13.089 0.320 19 0 no 0.665 0 6
1 74 GLU QB 186 no 100.0 100.0 1.340 1.341 0.001 1 0 no 0.075 0 0
1 76 SER QB 159 no 100.0 0.0 0.000 0.035 0.035 2 0 no 0.477 0 0
1 77 LEU QB 123 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 77 LEU QD 122 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 79 PRO QD 82 no 87.5 76.4 0.500 0.655 0.154 5 0 no 0.649 0 3
1 79 PRO QG 158 no 100.0 0.0 0.000 0.042 0.042 2 0 no 0.689 0 1
1 82 PRO QD 185 no 100.0 96.0 1.182 1.231 0.049 1 0 no 0.440 0 0
1 82 PRO QG 181 no 100.0 0.0 0.000 0.029 0.029 2 2 no 0.355 0 0
1 83 LYS QB 117 no 100.0 0.0 0.000 0.321 0.321 4 2 no 0.516 0 1
1 83 LYS QD 64 no 18.8 0.7 0.005 0.802 0.796 7 5 yes 1.050 2 13
1 83 LYS QE 103 no 100.0 0.0 0.000 0.547 0.547 4 0 yes 1.350 3 9
1 84 TRP QB 30 no 68.8 94.1 0.082 0.087 0.005 14 9 no 0.232 0 0
1 86 SER QB 39 no 100.0 0.0 0.000 0.167 0.167 10 2 no 0.774 0 4
1 88 VAL QG 3 no 100.0 22.2 0.300 1.352 1.052 37 8 yes 0.869 0 30
1 89 VAL QG 2 no 100.0 99.1 20.295 20.485 0.190 37 7 no 0.774 0 4
1 91 TYR QB 26 no 100.0 89.0 1.130 1.269 0.139 15 6 no 0.568 0 2
1 92 ARG QB 43 no 100.0 0.0 0.000 0.110 0.110 10 4 no 0.314 0 0
1 92 ARG QD 34 yes 75.0 28.1 0.102 0.363 0.261 13 7 no 0.303 0 0
1 93 ILE QG 102 no 0.0 0.0 0.000 0.081 0.081 4 0 no 0.446 0 0
1 94 VAL QG 19 no 100.0 94.3 15.229 16.143 0.914 20 0 yes 0.932 0 19
1 96 TYR QB 101 no 100.0 15.3 0.003 0.022 0.019 4 0 no 0.203 0 0
1 98 ARG QG 100 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.185 0 0
1 100 LEU QB 35 no 100.0 98.1 1.476 1.504 0.028 13 8 no 0.240 0 0
1 100 LEU QD 18 no 100.0 97.7 1.256 1.285 0.029 21 9 no 0.271 0 0
1 101 PRO QB 184 no 100.0 100.0 1.053 1.053 0.000 1 0 no 0.000 0 0
1 101 PRO QG 183 no 100.0 100.0 0.620 0.620 0.000 1 0 no 0.000 0 0
1 102 HIS QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 ILE QG 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 VAL QG 5 no 100.0 97.1 18.090 18.626 0.536 34 6 no 0.713 0 5
1 106 ASP QB 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 ARG QB 98 no 0.0 0.0 0.000 0.051 0.051 4 0 no 0.328 0 0
1 107 ARG QG 192 no 43.8 81.9 0.332 0.405 0.073 1 1 no 0.000 0 0
1 108 LEU QB 54 no 100.0 0.0 0.000 0.059 0.059 8 4 no 0.375 0 0
1 108 LEU QD 17 no 100.0 88.7 29.895 33.697 3.802 21 7 yes 1.364 23 70
1 109 VAL QG 1 no 100.0 95.8 18.853 19.689 0.836 40 11 yes 0.819 0 18
1 110 SER QB 155 no 100.0 100.0 0.640 0.640 0.000 2 0 no 0.000 0 0
1 111 LYS QB 47 no 100.0 0.0 0.000 1.274 1.274 9 6 yes 1.083 1 19
1 111 LYS QD 97 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.167 0 0
1 111 LYS QE 121 no 0.0 0.0 0.000 0.270 0.270 4 4 no 0.000 0 0
1 111 LYS QG 77 no 100.0 0.0 0.000 0.010 0.010 6 4 no 0.088 0 0
1 113 LEU QB 28 no 100.0 0.0 0.000 1.107 1.107 14 8 yes 1.026 1 16
1 113 LEU QD 6 no 100.0 90.4 3.114 3.445 0.331 34 16 no 0.840 0 2
1 114 ASN QB 96 no 0.0 0.0 0.000 0.429 0.429 4 0 yes 0.764 0 11
1 115 MET QB 49 no 100.0 87.4 4.787 5.477 0.690 8 0 yes 0.969 0 19
1 116 TRP QB 40 no 100.0 98.5 1.225 1.244 0.019 10 3 no 0.344 0 0
1 117 GLY QA 36 no 100.0 92.6 9.555 10.314 0.759 11 2 yes 0.862 0 16
1 118 LYS QB 154 no 0.0 0.0 0.000 0.005 0.005 2 0 no 0.112 0 0
1 118 LYS QE 70 no 0.0 0.0 0.000 0.225 0.225 6 0 no 0.872 0 5
1 118 LYS QG 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 GLU QB 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 ILE QG 180 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 121 PRO QD 25 no 100.0 100.0 2.045 2.045 0.001 15 0 no 0.055 0 0
1 122 LEU QB 24 no 100.0 92.3 8.328 9.027 0.698 16 8 no 0.577 0 14
1 122 LEU QD 14 no 93.8 95.7 1.571 1.642 0.071 23 11 no 0.467 0 0
1 123 HIS QB 53 no 93.8 0.0 0.000 0.698 0.698 8 4 no 0.577 0 14
1 124 PHE QB 152 no 100.0 0.0 0.000 0.050 0.050 2 0 no 0.346 0 0
1 125 ARG QB 42 no 100.0 0.0 0.000 0.014 0.014 10 4 no 0.175 0 0
1 125 ARG QD 120 no 100.0 0.0 0.000 0.052 0.052 4 4 no 0.000 0 0
1 125 ARG QG 128 no 75.0 100.0 0.382 0.382 0.000 3 0 no 0.000 0 0
1 126 LYS QB 76 no 100.0 0.0 0.000 0.348 0.348 6 2 no 0.380 0 0
1 126 LYS QD 75 no 100.0 0.0 0.000 0.380 0.380 6 2 no 0.784 0 7
1 126 LYS QE 179 no 0.0 0.0 0.000 0.412 0.412 2 2 no 0.228 0 0
1 126 LYS QG 151 no 100.0 0.0 0.000 0.013 0.013 2 0 no 0.209 0 0
1 127 VAL QG 4 no 100.0 92.6 10.046 10.848 0.802 35 11 yes 1.163 1 9
1 128 VAL QG 12 no 100.0 86.6 10.364 11.963 1.599 25 8 yes 0.958 0 46
1 129 TRP QB 38 no 93.8 0.0 0.000 0.383 0.383 10 2 no 0.431 0 0
1 134 ILE QG 127 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 135 MET QB 81 no 100.0 93.7 0.026 0.027 0.002 5 0 no 0.115 0 0
1 136 ILE QG 55 no 100.0 0.0 0.000 0.229 0.229 8 6 no 0.568 0 1
1 137 GLY QA 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 PHE QB 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 140 ARG QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 140 ARG QG 191 no 93.8 95.1 1.783 1.874 0.092 1 1 no 0.550 0 1
1 143 HIS QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 TYR QB 147 no 100.0 0.0 0.000 0.019 0.019 2 0 no 0.237 0 0
1 148 PRO QD 146 no 100.0 0.0 0.000 0.042 0.042 2 0 no 0.381 0 0
1 149 PHE QB 59 no 87.5 79.5 1.686 2.121 0.436 7 1 yes 1.189 3 8
1 154 ASN QB 126 no 93.8 83.1 0.153 0.184 0.031 3 0 no 0.368 0 0
1 156 LEU QB 23 no 100.0 73.5 0.714 0.971 0.257 16 5 no 0.560 0 6
1 156 LEU QD 9 no 100.0 35.5 1.362 3.838 2.476 31 9 yes 1.420 16 33
1 158 HIS QB 61 no 100.0 88.3 0.914 1.036 0.121 7 2 no 0.526 0 2
1 160 PHE QB 93 no 100.0 100.0 0.948 0.948 0.000 4 0 no 0.000 0 0
1 166 LEU QB 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.016 0 0
1 166 LEU QD 92 no 100.0 100.0 4.493 4.495 0.002 4 0 no 0.159 0 0
1 168 GLY QA 125 no 100.0 86.9 1.992 2.292 0.300 3 0 no 0.911 0 7
1 171 HIS QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 172 PHE QB 69 no 100.0 0.0 0.000 0.155 0.155 6 0 no 0.520 0 1
1 173 ASP QB 143 no 100.0 0.0 0.000 0.210 0.210 2 0 yes 0.655 0 9
1 174 GLU QB 68 no 100.0 0.0 0.000 0.082 0.082 6 0 no 0.510 0 1
1 174 GLU QG 91 no 100.0 0.0 0.000 1.066 1.066 4 0 yes 1.196 9 17
1 177 ARG QG 67 no 100.0 0.0 0.000 0.022 0.022 6 0 no 0.409 0 0
1 178 TRP QB 178 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 180 ASP QB 90 no 100.0 0.0 0.000 0.011 0.011 4 0 no 0.230 0 0
1 183 SER QB 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 184 LEU QB 84 no 100.0 0.0 0.000 0.000 0.000 5 5 no 0.000 0 0
1 184 LEU QD 63 no 100.0 0.0 0.000 0.000 0.000 7 5 no 0.000 0 0
1 186 ILE QG 60 no 100.0 87.3 9.106 10.434 1.328 7 2 yes 1.180 5 26
1 188 PHE QB 141 no 100.0 100.0 0.962 0.962 0.000 2 0 no 0.041 0 0
1 189 LEU QB 119 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 189 LEU QD 15 no 81.3 12.6 0.102 0.809 0.707 23 16 yes 0.793 0 20
1 196 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 196 LEU QD 10 no 100.0 82.4 10.105 12.261 2.156 29 11 yes 1.327 11 47
1 197 GLY QA 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 198 HIS QB 80 no 100.0 92.3 0.771 0.835 0.064 5 0 no 0.474 0 0
1 199 SER QB 66 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.022 0 0
1 200 LEU QB 41 no 100.0 100.0 0.948 0.948 0.000 10 4 no 0.000 0 0
1 200 LEU QD 11 no 100.0 98.1 13.504 13.762 0.257 26 6 no 0.470 0 0
1 201 GLY QA 140 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.082 0 0
1 202 MET QB 88 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.295 0 0
1 205 SER QB 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.050 0 0
1 209 ASN QB 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 209 ASN QD 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 211 VAL QG 31 no 93.8 82.6 2.010 2.432 0.422 13 2 yes 0.804 0 13
1 213 TYR QB 124 no 6.3 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 214 PRO QD 58 no 100.0 99.5 3.895 3.916 0.021 7 0 no 0.439 0 0
1 214 PRO QG 137 no 100.0 0.0 0.000 0.210 0.210 2 0 no 0.824 0 7
1 218 ASN QB 86 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.178 0 0
1 222 GLN QB 136 no 100.0 0.0 0.000 0.015 0.015 2 0 no 0.390 0 0
1 222 GLN QG 135 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.091 0 0
1 223 ASN QB 134 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 226 LEU QB 78 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 226 LEU QD 7 no 100.0 97.0 6.737 6.943 0.206 33 10 no 0.663 0 3
1 231 ILE QG 133 no 100.0 0.0 0.000 0.100 0.100 2 0 no 0.643 0 3
1 232 LYS QB 79 no 100.0 89.9 4.039 4.491 0.452 5 0 no 0.800 0 8
1 233 GLY QA 57 no 100.0 97.2 1.427 1.467 0.041 7 0 no 0.409 0 0
1 234 ILE QG 45 no 100.0 97.2 1.875 1.929 0.054 9 0 no 0.410 0 0
1 235 GLN QG 132 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 236 LYS QB 131 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 237 LEU QB 32 no 100.0 0.0 0.000 0.005 0.005 13 5 no 0.203 0 0
1 237 LEU QD 22 no 100.0 89.1 4.063 4.559 0.496 18 14 yes 0.819 0 14
1 238 TYR QB 65 no 100.0 0.0 0.000 0.016 0.016 6 0 no 0.445 0 0
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