NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446340 |
2kll   |
16317 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kll
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 185
_Stereo_assign_list.Swap_count 48
_Stereo_assign_list.Swap_percentage 25.9
_Stereo_assign_list.Deassign_count 20
_Stereo_assign_list.Deassign_percentage 10.8
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 35.771
_Stereo_assign_list.Total_e_high_states 305.365
_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 4 ILE QG 135 no 10.0 100.0 0.000 0.000 0.000 11 0 no 0.000 0 0
1 6 GLY QA 179 no 100.0 100.0 0.012 0.012 0.000 6 0 no 0.175 0 0
1 7 ILE QG 97 no 60.0 91.5 0.003 0.003 0.000 15 0 no 0.043 0 0
1 8 SER QB 184 no 60.0 31.8 0.000 0.001 0.000 4 0 no 0.063 0 0
1 9 PRO QB 142 no 90.0 86.9 0.040 0.046 0.006 11 8 no 0.449 0 0
1 9 PRO QD 153 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 9 PRO QG 124 no 100.0 0.0 0.000 0.000 0.000 13 8 no 0.000 0 0
1 10 ILE QG 35 no 60.0 66.2 0.519 0.784 0.265 25 6 no 0.923 0 4
1 12 GLU QB 137 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
1 13 TYR QB 127 no 90.0 13.1 0.002 0.016 0.014 12 0 no 0.267 0 0
1 14 LEU QB 110 no 100.0 96.5 0.286 0.297 0.011 14 4 no 0.000 0 0
1 14 LEU QD 51 no 80.0 91.9 4.492 4.886 0.394 23 9 yes 1.148 1 6
1 16 SER QB 45 no 80.0 95.9 0.031 0.032 0.001 24 10 no 0.114 0 0
1 17 LEU QB 83 no 100.0 100.0 0.063 0.063 0.000 18 8 no 0.000 0 0
1 17 LEU QD 12 no 80.0 84.7 5.703 6.732 1.029 35 13 yes 1.160 2 7
1 18 SER QB 21 yes 80.0 75.0 1.026 1.368 0.342 30 12 yes 1.059 1 4
1 20 TYR QB 60 no 100.0 100.0 0.018 0.018 0.000 21 7 no 0.238 0 0
1 21 ASN QB 165 no 50.0 100.0 0.025 0.025 0.000 8 0 no 0.000 0 0
1 22 ASP QB 140 no 70.0 93.3 0.309 0.331 0.022 11 4 no 0.136 0 0
1 23 GLN QB 102 yes 100.0 100.0 0.840 0.840 0.000 15 4 no 0.015 0 0
1 23 GLN QG 128 no 100.0 100.0 0.468 0.468 0.000 12 1 no 0.000 0 0
1 24 SER QB 32 yes 90.0 90.0 1.750 1.946 0.195 26 9 no 0.719 0 3
1 25 ILE QG 31 no 100.0 100.0 0.985 0.986 0.000 26 7 no 0.030 0 0
1 27 PHE QB 33 yes 100.0 97.5 2.649 2.716 0.068 26 12 no 0.017 0 0
1 29 LEU QB 133 yes 90.0 83.3 0.387 0.465 0.078 12 4 no 0.831 0 1
1 29 LEU QD 3 no 80.0 65.4 7.429 11.359 3.930 55 18 yes 1.915 6 10
1 30 GLU QB 134 no 100.0 65.4 0.001 0.002 0.001 11 0 no 0.061 0 0
1 31 ASP QB 150 no 50.0 62.6 0.489 0.781 0.292 10 2 no 0.792 0 5
1 32 GLU QB 160 yes 100.0 100.0 0.157 0.157 0.000 9 3 no 0.000 0 0
1 32 GLU QG 162 no 90.0 54.4 0.085 0.157 0.072 9 5 no 0.792 0 1
1 34 TYR QB 75 no 100.0 99.7 2.501 2.508 0.007 19 7 no 0.000 0 0
1 36 ILE QG 131 yes 100.0 53.0 0.351 0.663 0.311 12 2 no 0.000 0 0
1 38 VAL QG 9 yes 100.0 99.8 18.687 18.723 0.036 38 12 no 0.043 0 0
1 39 GLU QB 149 no 100.0 100.0 0.048 0.048 0.000 10 2 no 0.000 0 0
1 39 GLU QG 158 no 80.0 95.2 0.047 0.049 0.002 9 0 no 0.412 0 0
1 40 ASP QB 178 no 20.0 22.0 0.002 0.010 0.008 6 0 no 0.225 0 0
1 41 LEU QB 77 yes 100.0 79.7 2.912 3.653 0.741 19 11 no 0.582 0 1
1 41 LEU QD 38 no 100.0 79.8 4.580 5.739 1.159 25 12 no 0.145 0 0
1 42 LYS QB 182 no 90.0 67.5 0.038 0.056 0.018 5 0 no 0.338 0 0
1 43 LYS QB 164 no 100.0 99.5 0.242 0.243 0.001 8 0 no 0.106 0 0
1 45 GLU QB 123 yes 100.0 100.0 2.175 2.175 0.000 13 8 no 0.010 0 0
1 45 GLU QG 146 no 30.0 66.1 0.295 0.446 0.151 10 0 yes 1.540 2 2
1 46 LYS QB 177 yes 100.0 100.0 0.395 0.395 0.000 6 0 no 0.000 0 0
1 46 LYS QG 183 no 80.0 61.4 0.004 0.007 0.003 4 0 no 0.188 0 0
1 47 LYS QB 109 yes 100.0 100.0 0.920 0.920 0.000 14 4 no 0.021 0 0
1 49 LYS QB 113 no 100.0 91.9 0.459 0.499 0.041 14 6 no 0.000 0 0
1 49 LYS QD 159 no 90.0 100.0 1.770 1.771 0.001 9 2 no 0.081 0 0
1 49 LYS QG 118 yes 100.0 100.0 1.101 1.101 0.000 13 2 no 0.015 0 0
1 50 VAL QG 7 yes 90.0 87.0 3.381 3.884 0.504 40 10 yes 1.105 1 3
1 51 LEU QB 62 yes 100.0 100.0 0.502 0.502 0.000 21 9 no 0.000 0 0
1 51 LEU QD 68 no 100.0 99.9 5.852 5.857 0.005 20 6 no 0.171 0 0
1 52 LEU QB 108 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 52 LEU QD 56 no 50.0 58.3 0.383 0.657 0.274 22 8 yes 1.070 1 1
1 53 SER QB 42 no 30.0 69.1 0.069 0.100 0.031 24 6 no 0.449 0 0
1 54 TYR QB 14 no 100.0 100.0 2.328 2.328 0.000 33 7 no 0.023 0 0
1 55 TYR QB 25 yes 100.0 99.9 0.823 0.824 0.001 28 6 no 0.032 0 0
1 56 GLU QB 126 no 60.0 29.9 0.220 0.736 0.516 12 0 yes 1.147 4 10
1 56 GLU QG 99 no 60.0 5.6 0.103 1.852 1.749 15 3 yes 2.183 6 11
1 57 SER QB 44 no 60.0 58.5 0.338 0.578 0.240 24 10 yes 1.343 1 8
1 58 GLN QB 173 no 40.0 53.0 1.526 2.882 1.356 7 1 no 0.788 0 1
1 59 HIS QB 122 no 100.0 100.0 0.062 0.062 0.000 13 6 no 0.494 0 0
1 60 PRO QB 169 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 60 PRO QD 95 yes 100.0 87.8 0.102 0.116 0.014 16 8 no 0.302 0 0
1 63 GLU QB 168 no 70.0 24.6 0.005 0.019 0.015 8 4 no 0.222 0 0
1 63 GLU QG 174 no 70.0 24.2 0.005 0.020 0.015 7 4 no 0.222 0 0
1 64 SER QB 181 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 68 VAL QG 163 no 10.0 84.1 0.018 0.021 0.003 8 0 no 0.184 0 0
1 69 ASP QB 176 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 71 LYS QB 157 yes 90.0 92.5 1.191 1.288 0.097 9 0 no 0.807 0 2
1 71 LYS QD 185 no 10.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 71 LYS QG 175 no 10.0 79.3 0.029 0.036 0.008 6 0 no 0.243 0 0
1 72 MET QB 96 yes 100.0 99.4 0.205 0.206 0.001 16 10 no 0.000 0 0
1 72 MET QG 85 yes 100.0 100.0 2.308 2.308 0.000 18 10 no 0.018 0 0
1 73 LEU QB 88 no 100.0 100.0 0.661 0.661 0.000 17 4 no 0.000 0 0
1 73 LEU QD 43 no 100.0 100.0 7.123 7.123 0.000 24 8 no 0.023 0 0
1 74 MET QG 29 no 90.0 31.9 0.057 0.179 0.122 27 12 no 0.932 0 4
1 75 VAL QG 13 yes 100.0 76.3 5.281 6.919 1.638 34 9 no 0.060 0 0
1 77 LEU QB 76 no 100.0 97.0 0.510 0.526 0.016 19 10 no 0.000 0 0
1 77 LEU QD 1 no 100.0 99.3 13.259 13.350 0.091 71 32 no 0.344 0 0
1 78 SER QB 50 yes 100.0 98.2 3.351 3.412 0.061 23 6 no 0.027 0 0
1 79 PRO QB 37 yes 100.0 82.1 1.878 2.288 0.410 25 12 no 0.000 0 0
1 79 PRO QD 22 yes 100.0 99.3 0.329 0.331 0.002 30 17 no 0.000 0 0
1 79 PRO QG 66 yes 100.0 100.0 0.439 0.439 0.000 20 4 no 0.000 0 0
1 81 LYS QB 156 no 100.0 99.8 0.520 0.521 0.001 9 0 no 0.053 0 0
1 82 ASP QB 107 no 100.0 93.7 0.192 0.205 0.013 14 4 no 0.340 0 0
1 83 PHE QB 40 no 100.0 99.8 0.337 0.337 0.001 24 5 no 0.068 0 0
1 84 TRP QB 48 no 100.0 0.0 0.000 0.000 0.000 23 3 no 0.000 0 0
1 85 LEU QB 69 no 100.0 100.0 1.436 1.436 0.000 20 7 no 0.000 0 0
1 85 LEU QD 17 no 100.0 92.0 15.083 16.391 1.308 32 13 no 0.618 0 1
1 86 HIS QB 104 no 10.0 100.0 0.066 0.066 0.000 14 2 no 0.006 0 0
1 88 ASN QB 139 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 89 ASN QB 106 no 50.0 8.8 0.017 0.193 0.176 14 4 no 0.942 0 3
1 90 LYS QB 105 no 70.0 12.7 0.023 0.181 0.158 14 4 no 0.807 0 4
1 90 LYS QG 152 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 91 GLU QB 84 no 100.0 100.0 0.594 0.594 0.000 18 10 no 0.015 0 0
1 91 GLU QG 120 no 80.0 54.1 0.143 0.264 0.121 13 5 no 0.812 0 2
1 92 HIS QB 80 yes 100.0 100.0 1.583 1.583 0.000 18 5 no 0.000 0 0
1 93 SER QB 82 no 50.0 22.4 0.007 0.031 0.024 18 8 no 0.366 0 0
1 94 VAL QG 47 yes 80.0 76.0 2.731 3.592 0.861 23 3 yes 1.802 2 5
1 95 GLU QB 121 no 100.0 100.0 0.016 0.016 0.000 13 6 no 0.202 0 0
1 95 GLU QG 138 no 60.0 31.9 0.008 0.024 0.016 11 4 no 0.202 0 0
1 96 LEU QB 119 no 100.0 100.0 0.069 0.069 0.000 13 5 no 0.068 0 0
1 96 LEU QD 4 no 90.0 60.3 3.901 6.471 2.570 51 25 yes 1.814 2 4
1 97 HIS QB 145 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 98 LYS QB 130 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 98 LYS QD 125 no 100.0 100.0 0.000 0.000 0.000 12 0 no 0.044 0 0
1 98 LYS QG 112 no 100.0 100.0 0.013 0.013 0.000 14 6 no 0.340 0 0
1 99 CYS QB 55 no 100.0 100.0 1.992 1.992 0.000 22 6 no 0.063 0 0
1 100 GLU QB 172 yes 90.0 77.7 0.115 0.148 0.033 7 0 no 0.479 0 0
1 101 LYS QB 151 yes 100.0 100.0 0.871 0.871 0.000 10 4 no 0.000 0 0
1 101 LYS QE 115 no 50.0 31.5 0.165 0.524 0.359 14 8 yes 1.222 4 4
1 101 LYS QG 63 yes 100.0 100.0 0.898 0.898 0.000 21 12 no 0.000 0 0
1 102 PRO QB 114 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 102 PRO QD 141 no 100.0 0.0 0.000 0.000 0.000 11 8 no 0.000 0 0
1 102 PRO QG 154 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 103 LEU QB 70 no 100.0 100.0 0.031 0.031 0.000 20 8 no 0.000 0 0
1 103 LEU QD 2 no 100.0 100.0 15.259 15.259 0.000 69 23 no 0.020 0 0
1 104 PRO QB 180 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 104 PRO QD 18 no 40.0 100.0 0.004 0.004 0.000 32 18 no 0.000 0 0
1 104 PRO QG 79 no 100.0 100.0 0.458 0.458 0.000 18 4 no 0.025 0 0
1 105 ASP QB 144 yes 80.0 84.1 0.305 0.363 0.058 10 0 no 0.641 0 1
1 106 GLN QB 65 yes 90.0 91.9 0.750 0.816 0.066 20 4 no 0.734 0 1
1 106 GLN QG 81 yes 80.0 81.5 1.568 1.924 0.356 18 6 no 0.657 0 1
1 108 PHE QB 28 no 100.0 99.1 0.550 0.555 0.005 27 9 no 0.221 0 0
1 109 PHE QB 61 yes 100.0 100.0 1.636 1.637 0.000 21 9 no 0.039 0 0
1 110 VAL QG 8 yes 100.0 87.2 7.236 8.299 1.063 39 17 no 0.217 0 0
1 111 LEU QB 58 no 60.0 64.1 0.052 0.081 0.029 21 5 no 0.298 0 0
1 111 LEU QD 59 no 80.0 91.7 1.377 1.502 0.124 21 6 no 0.671 0 2
1 112 HIS QB 94 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.000 0 0
1 113 ASN QB 129 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 114 MET QB 71 no 40.0 38.7 0.042 0.109 0.067 20 10 no 0.817 0 1
1 114 MET QG 27 no 20.0 57.1 0.290 0.507 0.217 28 15 no 0.946 0 4
1 115 HIS QB 148 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 117 ASN QB 171 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 118 CYS QB 46 no 90.0 69.8 0.191 0.273 0.083 24 12 no 0.817 0 1
1 119 VAL QG 11 yes 100.0 96.8 9.781 10.101 0.320 36 10 yes 1.308 2 2
1 120 SER QB 16 no 10.0 100.0 0.000 0.000 0.000 32 12 no 0.000 0 0
1 121 PHE QB 54 no 100.0 0.0 0.000 0.000 0.000 22 6 no 0.000 0 0
1 122 GLU QB 67 yes 100.0 100.0 0.126 0.126 0.000 20 6 no 0.011 0 0
1 122 GLU QG 64 no 100.0 0.0 0.000 0.000 0.000 20 2 no 0.000 0 0
1 123 CYS QB 36 yes 100.0 98.4 1.944 1.976 0.032 25 8 no 0.000 0 0
1 124 LYS QB 52 no 100.0 99.9 0.204 0.204 0.000 22 5 no 0.038 0 0
1 124 LYS QD 89 no 100.0 100.0 0.005 0.005 0.000 17 5 no 0.221 0 0
1 126 ASP QB 34 yes 90.0 49.4 0.577 1.168 0.591 26 14 no 0.942 0 2
1 127 PRO QB 161 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 127 PRO QD 78 no 10.0 100.0 0.000 0.000 0.000 19 12 no 0.000 0 0
1 127 PRO QG 167 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 128 GLY QA 117 no 100.0 0.0 0.000 0.000 0.000 13 2 no 0.000 0 0
1 129 VAL QG 15 no 70.0 11.7 0.282 2.422 2.139 32 12 yes 1.273 6 9
1 130 PHE QB 30 yes 100.0 96.2 0.425 0.442 0.017 26 2 no 0.000 0 0
1 131 ILE QG 49 no 100.0 100.0 0.069 0.069 0.000 23 4 no 0.252 0 0
1 132 GLY QA 19 yes 100.0 100.0 1.491 1.491 0.000 31 6 no 0.007 0 0
1 133 VAL QG 10 yes 100.0 100.0 12.177 12.179 0.002 36 6 no 0.067 0 0
1 134 LYS QB 87 yes 100.0 100.0 0.713 0.713 0.000 17 4 no 0.000 0 0
1 134 LYS QG 91 no 70.0 68.3 0.641 0.938 0.298 17 6 no 0.993 0 4
1 135 ASP QB 166 no 90.0 93.2 0.073 0.079 0.005 8 2 no 0.515 0 1
1 136 ASN QB 116 no 60.0 11.2 0.041 0.364 0.323 13 2 no 0.998 0 3
1 137 HIS QB 98 no 100.0 100.0 0.170 0.170 0.000 15 2 no 0.000 0 0
1 138 LEU QB 92 no 100.0 100.0 0.882 0.882 0.000 16 4 no 0.000 0 0
1 138 LEU QD 24 no 100.0 100.0 21.072 21.073 0.001 28 5 no 0.040 0 0
1 140 LEU QB 74 no 100.0 100.0 2.493 2.494 0.001 19 7 no 0.000 0 0
1 140 LEU QD 6 no 90.0 85.2 14.979 17.575 2.596 41 11 yes 1.803 4 7
1 141 ILE QG 53 yes 90.0 99.9 0.178 0.178 0.000 22 6 no 0.031 0 0
1 142 LYS QB 103 no 70.0 63.4 0.000 0.000 0.000 14 2 no 0.034 0 0
1 143 VAL QG 39 yes 90.0 93.4 6.903 7.387 0.484 24 2 yes 1.506 2 3
1 145 SER QB 136 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
1 146 SER QB 101 no 10.0 87.4 0.001 0.001 0.000 15 4 no 0.028 0 0
1 147 GLU QB 143 no 80.0 66.6 0.071 0.107 0.036 10 0 yes 1.032 1 1
1 148 ASN QB 90 no 10.0 1.1 0.018 1.655 1.638 17 6 no 0.238 0 0
1 149 LEU QB 73 yes 100.0 89.0 0.647 0.727 0.080 19 6 no 0.039 0 0
1 149 LEU QD 23 no 60.0 14.8 0.442 2.987 2.545 29 16 yes 1.976 8 14
1 150 CYS QB 147 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 152 GLU QB 132 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 152 GLU QG 93 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.000 0 0
1 153 ASN QB 57 no 90.0 87.2 1.788 2.050 0.262 21 4 yes 1.217 2 2
1 154 ILE QG 86 no 100.0 99.9 0.129 0.129 0.000 17 1 no 0.022 0 0
1 155 LEU QB 20 yes 100.0 93.5 0.474 0.508 0.033 30 12 no 0.396 0 0
1 155 LEU QD 5 no 100.0 100.0 3.934 3.935 0.000 49 22 no 0.013 0 0
1 156 PHE QB 41 yes 100.0 69.6 0.627 0.901 0.274 24 6 no 0.000 0 0
1 157 LYS QB 72 no 100.0 98.8 0.611 0.618 0.007 19 6 no 0.166 0 0
1 157 LYS QD 155 no 70.0 13.0 0.002 0.012 0.010 9 0 no 0.341 0 0
1 157 LYS QG 100 no 10.0 100.0 0.007 0.007 0.000 15 4 no 0.000 0 0
1 158 LEU QB 111 no 100.0 100.0 0.356 0.356 0.000 14 6 no 0.000 0 0
1 158 LEU QD 26 no 100.0 100.0 8.098 8.098 0.000 28 9 no 0.000 0 0
1 160 GLU QB 170 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
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