NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619401 |
5ue5   |
25485 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5ue5
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 37.336
_Stereo_assign_list.Total_e_high_states 319.269
_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 0.000 0.000 2 0 no 0.001 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 87.5 0.0 0.000 0.323 0.323 8 0 no 0.819 0 6
1 19 LEU QB 44 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 19 LEU QD 29 no 87.5 95.8 1.599 1.669 0.070 14 8 no 0.409 0 0
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 0.253 0.253 2 0 yes 0.803 0 9
1 20 LYS QE 172 no 100.0 0.0 0.000 0.105 0.105 2 0 no 0.642 0 1
1 20 LYS QG 171 no 100.0 0.0 0.000 0.008 0.008 2 0 no 0.262 0 0
1 21 ARG QD 115 no 100.0 0.0 0.000 0.084 0.084 4 0 no 0.473 0 0
1 21 ARG QG 46 no 93.8 84.9 3.279 3.864 0.585 9 0 yes 1.380 1 14
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 81.3 69.6 1.419 2.040 0.621 15 9 yes 1.277 2 10
1 25 TYR QB 129 no 100.0 97.6 1.497 1.534 0.037 3 0 no 0.380 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 0.004 0.004 6 0 no 0.255 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 82.2 0.073 0.088 0.016 1 0 no 0.365 0 0
1 36 GLU QG 169 no 100.0 0.0 0.000 1.014 1.014 2 0 yes 1.084 7 14
1 38 LYS QB 114 no 0.0 0.0 0.000 0.010 0.010 4 0 no 0.331 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 37.5 85.7 1.406 1.641 0.236 7 2 no 0.959 0 6
1 40 LYS QB 113 no 100.0 0.0 0.000 0.034 0.034 4 0 no 0.308 0 0
1 41 GLU QB 112 no 100.0 0.0 0.000 0.022 0.022 4 0 no 0.185 0 0
1 41 GLU QG 37 no 100.0 83.3 2.847 3.418 0.571 10 0 yes 1.326 2 10
1 42 MET QB 111 no 100.0 0.0 0.000 0.018 0.018 4 0 no 0.461 0 0
1 42 MET QG 52 no 100.0 0.0 0.000 0.065 0.065 8 2 no 0.464 0 0
1 43 GLN QB 130 no 100.0 97.2 1.919 1.974 0.055 3 2 no 0.436 0 0
1 43 GLN QE 33 no 100.0 0.0 0.000 0.353 0.353 13 5 yes 1.018 1 8
1 44 LYS QB 168 no 100.0 0.0 0.000 0.015 0.015 2 0 no 0.156 0 0
1 44 LYS QD 110 no 100.0 0.0 0.000 0.022 0.022 4 0 no 0.558 0 1
1 44 LYS QE 167 no 100.0 0.0 0.000 0.067 0.067 2 0 no 0.679 0 2
1 44 LYS QG 73 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.074 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 0.032 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 96.0 5.671 5.905 0.234 33 13 no 0.578 0 3
1 49 PRO QB 188 no 100.0 95.7 1.673 1.748 0.075 1 0 no 0.662 0 1
1 49 PRO QG 164 no 100.0 99.6 3.719 3.735 0.015 2 0 no 0.460 0 0
1 50 ILE QG 109 no 100.0 0.0 0.000 0.050 0.050 4 0 no 0.408 0 0
1 52 GLY QA 187 no 100.0 99.1 1.847 1.863 0.016 1 0 no 0.438 0 0
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 0.015 0.015 2 0 no 0.303 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 6.491 6.831 0.340 21 6 yes 0.861 0 8
1 56 SER QB 108 no 100.0 0.0 0.000 0.026 0.026 4 0 no 0.336 0 0
1 57 ARG QB 107 no 100.0 0.0 0.000 0.048 0.048 4 0 no 0.645 0 1
1 57 ARG QG 106 no 0.0 0.0 0.000 0.055 0.055 4 0 no 0.507 0 1
1 58 VAL QG 13 no 100.0 99.5 8.590 8.631 0.042 25 9 no 0.572 0 1
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 100.0 0.0 0.000 0.038 0.038 2 0 no 0.532 0 1
1 62 MET QG 72 no 0.0 0.0 0.000 0.027 0.027 6 0 no 0.394 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 100.0 0.0 0.000 0.075 0.075 4 0 no 0.702 0 2
1 65 PRO QB 182 no 100.0 0.0 0.000 0.040 0.040 2 2 no 0.000 0 0
1 67 CYS QB 50 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.121 0 0
1 68 GLY QA 104 no 87.5 100.0 0.032 0.032 0.000 4 0 no 0.000 0 0
1 69 VAL QG 21 no 100.0 95.1 5.734 6.032 0.298 18 2 yes 0.969 0 8
1 72 VAL QG 20 no 100.0 93.2 4.803 5.156 0.353 19 0 no 0.749 0 6
1 74 GLU QB 186 no 100.0 100.0 0.898 0.898 0.000 1 0 no 0.000 0 0
1 76 SER QB 159 no 0.0 0.0 0.000 0.207 0.207 2 0 yes 1.016 1 4
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 93.8 86.5 0.458 0.529 0.071 5 0 no 0.484 0 0
1 79 PRO QG 158 no 100.0 0.0 0.000 0.091 0.091 2 0 no 0.479 0 0
1 82 PRO QD 185 no 100.0 98.4 1.001 1.018 0.017 1 0 no 0.307 0 0
1 82 PRO QG 181 no 100.0 0.0 0.000 0.032 0.032 2 2 no 0.478 0 0
1 83 LYS QB 117 no 0.0 0.0 0.000 0.173 0.173 4 2 no 0.888 0 1
1 83 LYS QD 64 no 93.8 0.5 0.002 0.486 0.483 7 5 yes 1.060 2 4
1 83 LYS QE 103 no 0.0 0.0 0.000 1.165 1.165 4 0 yes 1.470 7 21
1 84 TRP QB 30 no 93.8 100.0 0.114 0.114 0.000 14 9 no 0.000 0 0
1 86 SER QB 39 no 100.0 0.0 0.000 0.209 0.209 10 2 no 0.872 0 5
1 88 VAL QG 3 no 100.0 40.2 0.413 1.028 0.615 37 8 no 0.716 0 12
1 89 VAL QG 2 no 100.0 99.0 20.195 20.409 0.214 37 7 no 0.723 0 6
1 91 TYR QB 26 no 100.0 89.2 1.132 1.269 0.137 15 6 no 0.477 0 0
1 92 ARG QB 43 no 100.0 0.0 0.000 0.100 0.100 10 4 no 0.483 0 0
1 92 ARG QD 34 yes 75.0 42.0 0.192 0.458 0.266 13 7 no 0.971 0 7
1 93 ILE QG 102 no 0.0 0.0 0.000 0.066 0.066 4 0 no 0.457 0 0
1 94 VAL QG 19 no 100.0 94.6 15.652 16.544 0.893 20 0 yes 0.979 0 17
1 96 TYR QB 101 no 100.0 41.5 0.021 0.051 0.030 4 0 no 0.422 0 0
1 98 ARG QG 100 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.160 0 0
1 100 LEU QB 35 no 100.0 96.1 0.890 0.926 0.036 13 8 no 0.445 0 0
1 100 LEU QD 18 no 100.0 98.6 1.644 1.667 0.023 21 9 no 0.307 0 0
1 101 PRO QB 184 no 100.0 100.0 0.818 0.818 0.000 1 0 no 0.000 0 0
1 101 PRO QG 183 no 100.0 100.0 0.533 0.533 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 97.9 17.298 17.678 0.379 34 6 no 0.544 0 3
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 100.0 0.0 0.000 0.064 0.064 4 0 no 0.390 0 0
1 107 ARG QG 192 no 62.5 81.1 0.192 0.237 0.045 1 1 no 0.000 0 0
1 108 LEU QB 54 no 100.0 0.0 0.000 0.103 0.103 8 4 no 0.426 0 0
1 108 LEU QD 17 no 100.0 90.6 26.916 29.724 2.808 21 7 yes 1.220 15 61
1 109 VAL QG 1 no 100.0 96.4 18.223 18.906 0.683 40 11 yes 0.869 0 17
1 110 SER QB 155 no 100.0 100.0 0.726 0.726 0.000 2 0 no 0.000 0 0
1 111 LYS QB 47 no 93.8 0.0 0.000 0.980 0.980 9 6 yes 1.041 2 15
1 111 LYS QD 97 no 100.0 0.0 0.000 0.033 0.033 4 0 no 0.504 0 1
1 111 LYS QE 121 no 100.0 0.0 0.000 0.378 0.378 4 4 no 0.000 0 0
1 111 LYS QG 77 no 100.0 0.0 0.000 0.019 0.019 6 4 no 0.111 0 0
1 113 LEU QB 28 no 0.0 0.0 0.000 1.306 1.306 14 8 yes 1.051 2 16
1 113 LEU QD 6 no 100.0 90.6 3.232 3.568 0.336 34 16 no 0.743 0 5
1 114 ASN QB 96 no 0.0 0.0 0.000 0.381 0.381 4 0 yes 0.698 0 11
1 115 MET QB 49 no 100.0 87.8 4.357 4.964 0.606 8 0 yes 1.079 1 15
1 116 TRP QB 40 no 100.0 99.6 0.857 0.860 0.004 10 3 no 0.149 0 0
1 117 GLY QA 36 no 100.0 92.6 9.464 10.216 0.752 11 2 yes 0.830 0 16
1 118 LYS QB 154 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.120 0 0
1 118 LYS QE 70 no 100.0 0.0 0.000 0.096 0.096 6 0 no 0.880 0 1
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 99.9 1.797 1.799 0.001 15 0 no 0.101 0 0
1 122 LEU QB 24 no 100.0 92.6 8.825 9.526 0.701 16 8 no 0.556 0 12
1 122 LEU QD 14 no 100.0 98.0 1.690 1.725 0.034 23 11 no 0.306 0 0
1 123 HIS QB 53 no 25.0 0.0 0.000 0.701 0.701 8 4 no 0.556 0 12
1 124 PHE QB 152 no 100.0 0.0 0.000 0.071 0.071 2 0 no 0.413 0 0
1 125 ARG QB 42 no 100.0 0.0 0.000 0.011 0.011 10 4 no 0.183 0 0
1 125 ARG QD 120 no 100.0 0.0 0.000 0.114 0.114 4 4 no 0.533 0 2
1 125 ARG QG 128 no 100.0 99.5 1.265 1.272 0.007 3 0 no 0.274 0 0
1 126 LYS QB 76 no 100.0 0.0 0.000 0.187 0.187 6 2 no 0.480 0 0
1 126 LYS QD 75 no 0.0 0.0 0.000 0.400 0.400 6 2 no 0.986 0 7
1 126 LYS QE 179 no 0.0 0.0 0.000 0.124 0.124 2 2 no 0.000 0 0
1 126 LYS QG 151 no 100.0 0.0 0.000 0.016 0.016 2 0 no 0.302 0 0
1 127 VAL QG 4 no 100.0 92.6 10.754 11.611 0.858 35 11 no 0.971 0 11
1 128 VAL QG 12 no 100.0 91.3 10.486 11.479 0.993 25 8 yes 0.768 0 24
1 129 TRP QB 38 no 93.8 0.0 0.000 0.435 0.435 10 2 no 0.429 0 0
1 134 ILE QG 127 no 6.3 100.0 0.001 0.001 0.000 3 0 no 0.000 0 0
1 135 MET QB 81 no 100.0 98.9 0.035 0.036 0.000 5 0 no 0.079 0 0
1 136 ILE QG 55 no 100.0 0.0 0.000 0.248 0.248 8 6 no 0.477 0 0
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 0.083 0 0
1 140 ARG QG 191 no 75.0 93.1 0.858 0.922 0.064 1 1 no 0.520 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 0.012 0.012 2 0 no 0.219 0 0
1 148 PRO QD 146 no 100.0 0.0 0.000 0.033 0.033 2 0 no 0.293 0 0
1 149 PHE QB 59 no 93.8 88.4 1.224 1.385 0.161 7 1 no 0.825 0 2
1 154 ASN QB 126 no 100.0 74.9 0.188 0.251 0.063 3 0 no 0.607 0 1
1 156 LEU QB 23 no 100.0 64.1 0.579 0.904 0.324 16 5 no 0.619 0 6
1 156 LEU QD 9 no 100.0 41.5 1.802 4.347 2.544 31 9 yes 1.661 16 32
1 158 HIS QB 61 no 100.0 86.0 0.945 1.099 0.154 7 2 no 0.629 0 3
1 160 PHE QB 93 no 100.0 100.0 0.778 0.778 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 0.041 0 0
1 166 LEU QD 92 no 100.0 100.0 4.444 4.445 0.001 4 0 no 0.091 0 0
1 168 GLY QA 125 no 100.0 93.9 2.268 2.415 0.147 3 0 no 0.794 0 4
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 0.169 0.169 6 0 no 0.475 0 0
1 173 ASP QB 143 no 100.0 0.0 0.000 0.106 0.106 2 0 no 0.514 0 1
1 174 GLU QB 68 no 100.0 0.0 0.000 0.110 0.110 6 0 no 0.600 0 1
1 174 GLU QG 91 no 100.0 0.0 0.000 1.251 1.251 4 0 yes 1.408 8 21
1 177 ARG QG 67 no 100.0 0.0 0.000 0.039 0.039 6 0 no 0.369 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 6.3 0.0 0.000 0.032 0.032 4 0 no 0.504 0 1
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 86.3 9.584 11.102 1.518 7 2 yes 1.248 9 33
1 188 PHE QB 141 no 100.0 99.7 0.853 0.856 0.003 2 0 no 0.212 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 87.5 41.4 0.565 1.363 0.799 23 16 yes 0.920 0 17
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 79.7 9.274 11.635 2.361 29 11 yes 1.424 14 44
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 98.7 0.776 0.787 0.010 5 0 no 0.294 0 0
1 199 SER QB 66 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 200 LEU QB 41 no 100.0 100.0 1.169 1.169 0.000 10 4 no 0.000 0 0
1 200 LEU QD 11 no 100.0 98.3 12.283 12.501 0.218 26 6 no 0.577 0 1
1 201 GLY QA 140 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.169 0 0
1 202 MET QB 88 no 100.0 0.0 0.000 0.012 0.012 4 0 no 0.438 0 0
1 205 SER QB 87 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.092 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 0.001 0.001 2 0 no 0.121 0 0
1 211 VAL QG 31 no 100.0 82.8 1.879 2.268 0.389 13 2 no 0.872 0 8
1 213 TYR QB 124 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 214 PRO QD 58 no 100.0 98.2 3.987 4.062 0.075 7 0 no 0.432 0 0
1 214 PRO QG 137 no 100.0 0.0 0.000 0.283 0.283 2 0 yes 1.109 2 8
1 218 ASN QB 86 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 222 GLN QB 136 no 100.0 0.0 0.000 0.017 0.017 2 0 no 0.376 0 0
1 222 GLN QG 135 no 0.0 0.0 0.000 0.001 0.001 2 0 no 0.130 0 0
1 223 ASN QB 134 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.168 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 96.3 6.277 6.519 0.242 33 10 no 0.614 0 2
1 231 ILE QG 133 no 100.0 0.0 0.000 0.076 0.076 2 0 no 0.476 0 0
1 232 LYS QB 79 no 100.0 89.7 4.124 4.599 0.474 5 0 no 0.882 0 8
1 233 GLY QA 57 no 100.0 94.4 1.526 1.617 0.091 7 0 no 0.487 0 0
1 234 ILE QG 45 no 81.3 95.8 0.480 0.501 0.021 9 0 no 0.361 0 0
1 235 GLN QG 132 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.147 0 0
1 236 LYS QB 131 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.094 0 0
1 237 LEU QB 32 no 100.0 0.0 0.000 0.001 0.001 13 5 no 0.109 0 0
1 237 LEU QD 22 no 100.0 88.2 3.388 3.843 0.455 18 14 yes 1.066 1 12
1 238 TYR QB 65 no 100.0 0.0 0.000 0.023 0.023 6 0 no 0.566 0 1
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