Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485195 | 2jzi RC | 15624 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2jzi
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 187
_Stereo_assign_list.Swap_count 4
_Stereo_assign_list.Swap_percentage 2.1
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 1.894
_Stereo_assign_list.Total_e_high_states 391.490
_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 2 ASP QB 117 no 100.0 100.0 0.003 0.003 0.000 4 0 no 0.060 0 0
1 4 LEU QB 22 no 100.0 98.1 1.298 1.322 0.024 11 2 no 0.161 0 0
1 4 LEU QD 32 no 100.0 0.0 0.000 0.008 0.008 10 2 no 0.071 0 0
1 6 GLU QB 132 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 6 GLU QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 GLU QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 GLN QB 53 no 100.0 96.8 0.072 0.075 0.002 8 0 no 0.155 0 0
1 9 ILE QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 GLU QG 187 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 12 PHE QB 9 no 100.0 85.0 0.159 0.188 0.028 15 4 no 0.154 0 0
1 12 PHE QD 17 no 100.0 98.5 19.695 19.997 0.302 12 2 yes 0.506 0 20
1 12 PHE QE 135 no 100.0 93.8 0.410 0.437 0.027 3 1 no 0.167 0 0
1 13 LYS QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 LYS QD 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 13 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 14 GLU QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 PHE QB 85 no 100.0 100.0 0.018 0.018 0.000 6 2 no 0.094 0 0
1 16 PHE QD 44 no 100.0 95.2 7.715 8.103 0.388 9 3 no 0.109 0 0
1 16 PHE QE 34 no 100.0 99.9 17.737 17.751 0.014 10 3 no 0.121 0 0
1 17 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 LEU QB 68 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 18 LEU QD 62 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.025 0 0
1 19 PHE QB 52 no 100.0 64.4 0.044 0.068 0.024 8 0 no 0.105 0 0
1 20 ASP QB 78 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 21 LYS QB 76 no 100.0 92.3 0.033 0.035 0.003 6 0 no 0.176 0 0
1 21 LYS QG 84 no 100.0 89.8 0.184 0.205 0.021 6 2 no 0.128 0 0
1 22 ASP QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 GLY QA 131 no 100.0 100.0 0.013 0.013 0.000 3 0 no 0.103 0 0
1 24 ASP QB 75 no 100.0 100.0 0.005 0.005 0.000 6 0 no 0.063 0 0
1 25 GLY QA 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 ILE QG 61 no 100.0 99.9 4.060 4.064 0.004 8 3 no 0.072 0 0
1 30 LYS QB 115 no 100.0 100.0 0.013 0.013 0.000 4 0 no 0.115 0 0
1 30 LYS QD 67 no 100.0 100.0 0.025 0.025 0.000 7 2 no 0.118 0 0
1 30 LYS QE 181 no 100.0 0.0 0.000 0.004 0.004 2 2 no 0.070 0 0
1 30 LYS QG 43 no 100.0 100.0 0.023 0.023 0.000 9 3 no 0.089 0 0
1 31 GLU QB 5 no 100.0 98.4 0.959 0.975 0.015 17 3 no 0.104 0 0
1 32 LEU QB 14 no 95.0 90.3 0.338 0.375 0.036 13 3 no 0.168 0 0
1 33 GLY QA 124 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 35 VAL QG 97 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 36 MET QB 121 no 100.0 98.0 0.100 0.102 0.002 4 2 no 0.053 0 0
1 36 MET QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 ARG QD 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 ARG QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 SER QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 LEU QB 66 no 100.0 94.4 0.028 0.029 0.002 7 2 no 0.043 0 0
1 39 LEU QD 120 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 40 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 41 GLN QB 55 no 100.0 97.8 0.044 0.045 0.001 8 1 no 0.157 0 0
1 41 GLN QE 185 no 100.0 100.0 0.585 0.585 0.000 1 0 no 0.003 0 0
1 41 GLN QG 134 no 100.0 100.0 0.000 0.000 0.000 3 1 no 0.034 0 0
1 43 PRO QD 87 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 43 PRO QG 123 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 45 GLU QB 96 no 100.0 100.0 0.031 0.031 0.000 5 0 no 0.115 0 0
1 45 GLU QG 60 no 100.0 99.5 1.463 1.471 0.008 8 3 no 0.086 0 0
1 47 GLU QB 51 no 100.0 100.0 0.019 0.019 0.000 8 0 no 0.106 0 0
1 47 GLU QG 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 48 LEU QB 23 no 95.0 100.0 0.763 0.763 0.000 11 4 no 0.029 0 0
1 48 LEU QD 1 no 100.0 100.0 27.157 27.160 0.003 30 9 no 0.049 0 0
1 49 GLN QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 GLN QG 74 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 50 ASP QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 MET QG 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 52 ILE QG 39 no 100.0 100.0 0.014 0.014 0.000 9 1 no 0.129 0 0
1 53 ASN QB 130 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 54 GLU QB 13 no 100.0 89.3 0.141 0.158 0.017 13 2 no 0.126 0 0
1 55 VAL QG 64 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 56 ASP QB 11 no 100.0 100.0 0.011 0.011 0.000 13 0 no 0.110 0 0
1 58 ASP QB 129 no 100.0 68.3 0.022 0.032 0.010 3 0 no 0.165 0 0
1 59 GLY QA 113 no 100.0 100.0 0.020 0.020 0.000 4 0 no 0.132 0 0
1 61 GLY QA 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 ILE QG 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 ASP QB 83 no 0.0 0.0 0.000 0.001 0.001 6 2 no 0.033 0 0
1 65 PHE QB 137 no 100.0 100.0 0.001 0.001 0.000 3 2 no 0.047 0 0
1 65 PHE QD 136 no 100.0 68.3 0.282 0.413 0.131 3 2 no 0.440 0 0
1 66 PRO QB 177 no 100.0 100.0 0.324 0.324 0.000 2 1 no 0.000 0 0
1 66 PRO QD 49 no 100.0 52.3 0.148 0.282 0.135 9 6 no 0.440 0 0
1 67 GLU QB 21 no 100.0 93.4 0.518 0.554 0.037 11 1 no 0.140 0 0
1 67 GLU QG 73 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 68 PHE QB 19 no 100.0 70.5 0.048 0.069 0.020 12 3 no 0.138 0 0
1 68 PHE QD 46 yes 100.0 100.0 27.098 27.100 0.002 9 4 no 0.054 0 0
1 68 PHE QE 3 yes 100.0 100.0 59.924 59.928 0.003 18 5 no 0.065 0 0
1 69 LEU QB 82 no 100.0 100.0 0.484 0.484 0.000 6 2 no 0.010 0 0
1 69 LEU QD 2 no 100.0 0.0 0.000 0.001 0.001 22 6 no 0.041 0 0
1 71 MET QG 38 no 100.0 94.2 0.356 0.378 0.022 9 1 no 0.152 0 0
1 72 MET QG 128 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 74 ARG QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 75 LYS QD 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 LYS QE 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 MET QG 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 SER QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 GLU QG 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 84 GLU QB 100 no 40.0 36.4 0.004 0.012 0.008 5 1 no 0.100 0 0
1 85 ILE QG 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 ARG QB 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 ARG QD 99 no 100.0 100.0 0.378 0.378 0.000 5 1 no 0.020 0 0
1 87 GLU QG 184 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 89 PHE QB 8 no 100.0 95.2 0.204 0.215 0.010 16 5 no 0.085 0 0
1 89 PHE QD 95 yes 100.0 97.2 3.907 4.018 0.111 5 0 no 0.510 0 1
1 89 PHE QE 176 no 100.0 100.0 0.002 0.002 0.000 2 1 no 0.000 0 0
1 91 VAL QG 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 PHE QB 98 no 100.0 91.1 0.118 0.130 0.012 5 1 no 0.088 0 0
1 92 PHE QD 48 no 100.0 100.0 46.152 46.160 0.008 9 5 no 0.099 0 0
1 92 PHE QE 59 no 100.0 100.0 5.415 5.417 0.001 8 3 no 0.044 0 0
1 93 ASP QB 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 LYS QG 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 95 ASP QB 94 no 90.0 15.8 0.001 0.004 0.004 5 0 no 0.066 0 0
1 96 GLY QA 127 no 100.0 100.0 0.004 0.004 0.000 3 0 no 0.069 0 0
1 97 ASN QB 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 99 TYR QB 81 no 100.0 89.3 0.251 0.281 0.030 6 2 no 0.179 0 0
1 99 TYR QD 18 no 100.0 100.0 36.056 36.064 0.009 12 3 no 0.092 0 0
1 99 TYR QE 80 no 100.0 100.0 52.775 52.777 0.002 6 2 no 0.046 0 0
1 100 ILE QG 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 GLU QB 126 no 100.0 100.0 0.003 0.003 0.000 3 0 no 0.063 0 0
1 104 GLU QG 27 no 100.0 99.9 5.539 5.546 0.007 10 0 no 0.078 0 0
1 106 ARG QB 122 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 106 ARG QD 93 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.020 0 0
1 106 ARG QG 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 VAL QG 79 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.018 0 0
1 109 MET QB 57 no 100.0 100.0 0.000 0.000 0.000 8 2 no 0.009 0 0
1 109 MET QG 72 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.062 0 0
1 115 LYS QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 LYS QG 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 LEU QB 183 no 100.0 100.0 0.005 0.005 0.000 1 0 no 0.078 0 0
1 116 LEU QD 31 no 100.0 0.0 0.000 0.002 0.002 10 2 no 0.053 0 0
1 118 ASP QB 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 120 GLU QB 92 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 121 VAL QG 45 no 100.0 100.0 0.585 0.585 0.000 9 4 no 0.000 0 0
1 122 ASP QB 37 no 100.0 12.9 0.006 0.049 0.042 9 1 no 0.191 0 0
1 123 GLU QB 133 no 100.0 100.0 1.517 1.517 0.000 3 1 no 0.000 0 0
1 124 MET QB 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 125 ILE QG 10 no 100.0 96.6 0.021 0.022 0.001 13 0 no 0.127 0 0
1 126 ARG QB 105 no 100.0 100.0 0.029 0.029 0.000 4 0 no 0.175 0 0
1 126 ARG QG 71 no 100.0 100.0 0.708 0.708 0.000 6 0 no 0.016 0 0
1 127 GLU QG 104 no 100.0 81.8 0.055 0.067 0.012 4 0 no 0.101 0 0
1 129 ASP QB 26 no 100.0 90.8 0.014 0.016 0.001 10 0 no 0.035 0 0
1 130 ILE QG 20 no 100.0 93.4 0.006 0.006 0.000 11 0 no 0.080 0 0
1 131 ASP QB 77 no 100.0 87.8 0.193 0.220 0.027 6 1 no 0.163 0 0
1 133 ASP QB 54 no 100.0 100.0 0.033 0.033 0.000 8 1 no 0.163 0 0
1 134 GLY QA 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 GLN QB 33 no 100.0 75.6 0.021 0.027 0.007 10 3 no 0.147 0 0
1 136 VAL QG 30 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.028 0 0
1 137 ASN QB 180 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.011 0 0
1 137 ASN QD 179 no 0.0 0.0 0.000 0.008 0.008 2 2 no 0.077 0 0
1 138 TYR QB 86 no 100.0 100.0 0.016 0.016 0.000 6 3 no 0.077 0 0
1 138 TYR QD 36 no 100.0 99.8 11.790 11.820 0.030 9 1 no 0.184 0 0
1 138 TYR QE 42 no 100.0 99.9 14.143 14.159 0.015 9 3 no 0.144 0 0
1 139 GLU QB 103 no 100.0 80.7 0.094 0.116 0.022 4 0 no 0.155 0 0
1 140 GLU QB 12 no 100.0 68.0 0.030 0.044 0.014 13 2 no 0.125 0 0
1 140 GLU QG 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 PHE QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 VAL QG 50 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.024 0 0
1 148 LYS QG 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 2 ARG QD 178 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.027 0 0
2 3 LYS QB 91 no 100.0 91.8 0.317 0.345 0.028 5 0 no 0.141 0 0
2 3 LYS QD 41 no 100.0 100.0 0.011 0.011 0.000 9 3 no 0.080 0 0
2 3 LYS QE 182 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 3 LYS QG 58 no 100.0 100.0 0.000 0.000 0.000 8 3 no 0.016 0 0
2 4 GLU QG 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 5 VAL QG 7 no 100.0 99.8 2.814 2.819 0.005 17 6 no 0.069 0 0
2 6 ILE QG 90 no 90.0 42.8 0.004 0.009 0.005 5 0 no 0.086 0 0
2 7 ARG QB 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 7 ARG QD 119 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.016 0 0
2 7 ARG QG 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 8 ASN QB 89 no 100.0 86.6 0.089 0.103 0.014 5 0 no 0.099 0 0
2 9 LYS QD 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 9 LYS QE 70 no 95.0 96.0 0.038 0.040 0.002 6 0 no 0.054 0 0
2 9 LYS QG 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 10 ILE QG 29 no 100.0 99.3 0.793 0.798 0.005 10 2 no 0.081 0 0
2 11 ARG QB 101 no 100.0 99.9 1.783 1.785 0.002 4 0 no 0.061 0 0
2 13 ILE QG 69 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.008 0 0
2 14 GLY QA 16 no 100.0 100.0 0.079 0.079 0.000 12 2 no 0.163 0 0
2 15 LYS QB 24 no 65.0 97.6 0.832 0.853 0.021 11 5 no 0.136 0 0
2 15 LYS QD 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 15 LYS QE 63 no 100.0 0.0 0.000 0.040 0.040 8 6 no 0.163 0 0
2 16 MET QB 25 no 100.0 90.6 0.032 0.035 0.003 10 0 no 0.146 0 0
2 16 MET QG 88 no 100.0 100.0 0.026 0.026 0.000 5 0 no 0.144 0 0
2 18 ARG QB 125 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 18 ARG QD 40 no 100.0 90.2 0.273 0.303 0.030 9 3 no 0.167 0 0
2 19 VAL QG 35 no 100.0 99.9 6.199 6.202 0.003 9 1 no 0.075 0 0
2 20 PHE QB 28 no 100.0 82.4 0.147 0.179 0.032 10 1 no 0.169 0 0
2 20 PHE QE 47 yes 100.0 100.0 11.391 11.394 0.003 9 5 no 0.067 0 0
2 21 SER QB 65 no 100.0 99.8 4.426 4.436 0.011 7 2 no 0.103 0 0
2 22 VAL QG 6 no 100.0 100.0 7.068 7.070 0.002 17 4 no 0.048 0 0
2 23 LEU QB 4 no 100.0 100.0 0.013 0.013 0.000 17 3 no 0.118 0 0
2 23 LEU QD 118 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 24 ARG QB 56 no 100.0 99.6 0.004 0.004 0.000 8 2 no 0.071 0 0
2 24 ARG QG 15 no 30.0 99.2 0.791 0.797 0.006 13 4 no 0.115 0 0
stop_
save_