Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
547635 | 2lhi RC | 17850 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lhi
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 205
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 0.445
_Stereo_assign_list.Total_e_high_states 198.852
_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 ASN QB 188 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.067 0 0
1 5 LEU QB 18 no 100.0 100.0 0.867 0.867 0.000 21 10 no 0.010 0 0
1 5 LEU QD 11 no 100.0 0.0 0.000 0.000 0.000 22 10 no 0.018 0 0
1 7 GLU QG 143 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.012 0 0
1 8 GLU QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 GLN QB 42 no 100.0 100.0 1.391 1.392 0.000 17 8 no 0.055 0 0
1 9 GLN QE 122 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.055 0 0
1 9 GLN QG 10 no 100.0 99.8 2.155 2.159 0.004 22 4 no 0.176 0 0
1 10 ILE QG 150 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.010 0 0
1 12 GLU QB 145 no 100.0 100.0 0.334 0.334 0.000 8 3 no 0.000 0 0
1 12 GLU QG 126 no 100.0 99.9 0.547 0.548 0.000 9 1 no 0.034 0 0
1 14 LYS QB 99 no 100.0 0.0 0.000 0.008 0.008 12 8 no 0.349 0 0
1 14 LYS QD 121 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.191 0 0
1 14 LYS QE 98 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.012 0 0
1 14 LYS QG 72 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.149 0 0
1 15 GLU QB 163 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 15 GLU QG 162 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 17 PHE QB 37 no 100.0 100.0 1.002 1.002 0.000 17 0 no 0.027 0 0
1 19 LEU QB 71 no 100.0 100.0 2.430 2.430 0.000 14 4 no 0.004 0 0
1 19 LEU QD 2 no 100.0 100.0 7.176 7.177 0.001 30 5 no 0.048 0 0
1 21 ASP QB 60 no 100.0 99.9 0.772 0.772 0.000 14 0 no 0.038 0 0
1 22 LYS QE 70 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.005 0 0
1 22 LYS QG 50 no 100.0 100.0 0.223 0.223 0.000 16 7 no 0.018 0 0
1 23 ASP QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 ASN QB 128 no 100.0 99.8 0.643 0.644 0.001 9 2 no 0.066 0 0
1 24 ASN QD 104 no 100.0 99.8 0.318 0.318 0.001 11 2 no 0.066 0 0
1 25 ASN QB 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 ASN QD 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 GLY QA 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 SER QB 120 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.060 0 0
1 28 ILE QG 22 no 100.0 100.0 3.318 3.318 0.000 19 0 no 0.034 0 0
1 29 SER QB 192 no 0.0 0.0 0.000 0.001 0.001 4 4 no 0.058 0 0
1 30 SER QB 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.030 0 0
1 31 SER QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 GLU QB 91 no 100.0 100.0 1.627 1.627 0.000 12 2 no 0.000 0 0
1 32 GLU QG 61 no 100.0 100.0 6.438 6.438 0.000 14 1 no 0.023 0 0
1 33 LEU QB 24 no 100.0 100.0 2.321 2.321 0.000 19 4 no 0.000 0 0
1 33 LEU QD 168 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 36 VAL QG 88 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.051 0 0
1 37 MET QB 142 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.022 0 0
1 38 ARG QD 141 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.020 0 0
1 38 ARG QG 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 SER QB 140 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.006 0 0
1 40 LEU QB 106 no 100.0 100.0 0.952 0.952 0.000 11 4 no 0.017 0 0
1 40 LEU QD 14 no 100.0 100.0 2.445 2.446 0.001 21 4 no 0.078 0 0
1 41 GLY QA 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 LEU QB 26 no 100.0 100.0 0.941 0.941 0.000 19 8 no 0.009 0 0
1 42 LEU QD 12 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.020 0 0
1 43 SER QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 PRO QB 151 no 100.0 100.0 2.191 2.191 0.001 7 0 no 0.044 0 0
1 44 PRO QD 69 no 100.0 99.9 0.758 0.759 0.001 14 4 no 0.055 0 0
1 46 GLU QG 68 no 100.0 100.0 1.562 1.562 0.000 14 4 no 0.017 0 0
1 48 GLU QB 59 no 100.0 99.8 1.559 1.563 0.004 14 0 no 0.132 0 0
1 48 GLU QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 VAL QG 44 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.030 0 0
1 50 ASN QD 13 no 100.0 99.5 1.314 1.320 0.007 21 4 no 0.131 0 0
1 51 ASP QB 119 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.184 0 0
1 52 LEU QB 82 no 100.0 100.0 0.463 0.463 0.000 13 2 no 0.026 0 0
1 52 LEU QD 113 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.002 0 0
1 54 ASN QB 103 no 100.0 100.0 1.472 1.472 0.000 11 2 no 0.000 0 0
1 54 ASN QD 166 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.035 0 0
1 55 GLU QB 139 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.018 0 0
1 56 ILE QG 87 no 100.0 100.0 2.262 2.262 0.000 12 0 no 0.037 0 0
1 57 ASP QB 58 no 100.0 100.0 1.605 1.606 0.000 14 0 no 0.036 0 0
1 58 VAL QG 138 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 59 ASP QB 161 no 100.0 99.3 0.504 0.507 0.004 6 0 no 0.106 0 0
1 60 GLY QA 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 ASN QB 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 ASN QD 167 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.038 0 0
1 62 HIS QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 GLN QB 48 no 100.0 100.0 1.998 1.998 0.000 16 4 no 0.050 0 0
1 63 GLN QE 35 no 100.0 0.0 0.000 0.001 0.001 18 18 no 0.058 0 0
1 63 GLN QG 81 no 100.0 99.9 0.492 0.492 0.001 13 2 no 0.055 0 0
1 64 ILE QG 100 no 100.0 99.7 1.049 1.052 0.003 11 0 no 0.103 0 0
1 65 GLU QB 160 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 65 GLU QG 110 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.012 0 0
1 66 PHE QB 182 no 100.0 100.0 0.693 0.693 0.000 4 0 no 0.000 0 0
1 67 SER QB 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 68 GLU QB 23 no 100.0 100.0 0.685 0.685 0.000 19 1 no 0.017 0 0
1 68 GLU QG 38 no 100.0 99.8 2.335 2.341 0.006 17 1 no 0.145 0 0
1 69 PHE QB 19 no 100.0 98.4 0.636 0.646 0.010 20 0 no 0.125 0 0
1 70 LEU QD 47 no 100.0 0.0 0.000 0.003 0.003 16 4 no 0.103 0 0
1 72 LEU QB 54 no 100.0 98.6 1.079 1.094 0.015 15 4 no 0.153 0 0
1 72 LEU QD 78 no 0.0 0.0 0.000 0.001 0.001 14 8 no 0.064 0 0
1 74 SER QB 149 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.015 0 0
1 75 ARG QB 75 no 100.0 100.0 0.467 0.467 0.000 14 6 no 0.045 0 0
1 75 ARG QD 118 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.026 0 0
1 75 ARG QG 152 no 100.0 100.0 0.412 0.412 0.000 7 2 no 0.027 0 0
1 76 GLN QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 GLN QE 16 no 85.0 99.5 0.383 0.385 0.002 21 8 no 0.066 0 0
1 76 GLN QG 137 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.050 0 0
1 77 LEU QB 117 no 0.0 0.0 0.000 0.012 0.012 10 4 no 0.217 0 0
1 77 LEU QD 116 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.114 0 0
1 78 LYS QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 78 LYS QG 136 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.033 0 0
1 80 ASN QD 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.053 0 0
1 83 GLU QG 159 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 84 GLN QE 96 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.062 0 0
1 85 GLU QB 109 no 100.0 99.8 0.481 0.482 0.001 10 0 no 0.067 0 0
1 85 GLU QG 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 86 LEU QD 43 no 100.0 0.0 0.000 0.163 0.163 16 0 no 0.571 0 5
1 87 LEU QD 67 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.032 0 0
1 88 GLU QG 158 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.139 0 0
1 90 PHE QB 5 no 100.0 99.8 1.752 1.755 0.003 26 2 no 0.107 0 0
1 91 LYS QG 135 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.118 0 0
1 92 VAL QG 31 no 0.0 0.0 0.000 0.008 0.008 18 4 no 0.149 0 0
1 93 PHE QB 27 no 100.0 100.0 4.776 4.777 0.001 18 1 no 0.101 0 0
1 94 ASP QB 86 no 100.0 99.9 1.813 1.814 0.001 12 0 no 0.060 0 0
1 95 LYS QE 57 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.021 0 0
1 96 ASN QB 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 98 ASP QB 157 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 99 GLY QA 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 LEU QB 97 no 100.0 99.5 1.415 1.422 0.007 12 7 no 0.110 0 0
1 100 LEU QD 3 no 100.0 100.0 37.953 37.956 0.003 30 15 no 0.061 0 0
1 101 ILE QG 62 no 100.0 99.8 3.871 3.878 0.007 14 3 no 0.112 0 0
1 102 SER QB 123 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.023 0 0
1 105 GLU QB 102 no 100.0 100.0 2.915 2.915 0.000 11 2 no 0.000 0 0
1 105 GLU QG 45 no 100.0 100.0 2.824 2.824 0.000 16 2 no 0.024 0 0
1 106 LEU QB 53 no 100.0 99.7 0.548 0.550 0.002 15 4 no 0.143 0 0
1 106 LEU QD 115 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.128 0 0
1 107 LYS QB 30 no 100.0 100.0 1.076 1.076 0.000 18 3 no 0.041 0 0
1 107 LYS QG 134 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 109 VAL QG 85 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 110 LEU QB 148 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 110 LEU QD 95 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.101 0 0
1 112 SER QB 156 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.066 0 0
1 113 ILE QG 36 no 100.0 100.0 1.334 1.334 0.001 17 0 no 0.085 0 0
1 114 GLY QA 169 no 100.0 99.8 0.513 0.514 0.001 5 0 no 0.146 0 0
1 115 GLU QB 175 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.120 0 0
1 116 LYS QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.012 0 0
1 116 LYS QG 133 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.010 0 0
1 117 LEU QB 8 no 100.0 100.0 2.512 2.512 0.001 23 9 no 0.059 0 0
1 117 LEU QD 66 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.044 0 0
1 119 ASP QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 121 GLU QB 40 no 100.0 100.0 3.110 3.110 0.000 17 4 no 0.039 0 0
1 121 GLU QG 132 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.008 0 0
1 122 VAL QG 90 no 100.0 0.0 0.000 0.001 0.001 12 2 no 0.071 0 0
1 123 ASP QB 108 no 100.0 100.0 1.481 1.481 0.000 10 0 no 0.001 0 0
1 124 ASP QB 131 no 100.0 100.0 2.719 2.719 0.000 8 0 no 0.029 0 0
1 125 MET QB 79 no 100.0 100.0 0.499 0.499 0.000 13 0 no 0.040 0 0
1 125 MET QG 20 no 100.0 99.9 0.353 0.353 0.000 20 4 no 0.046 0 0
1 126 LEU QB 33 no 100.0 100.0 1.764 1.765 0.001 18 5 no 0.052 0 0
1 126 LEU QD 46 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.053 0 0
1 127 ARG QB 25 no 100.0 100.0 2.154 2.154 0.000 19 6 no 0.034 0 0
1 127 ARG QD 94 no 0.0 0.0 0.000 0.003 0.003 12 4 no 0.090 0 0
1 127 ARG QG 52 no 100.0 99.8 1.763 1.766 0.003 15 4 no 0.107 0 0
1 128 GLU QB 93 no 100.0 100.0 1.269 1.269 0.000 12 4 no 0.024 0 0
1 128 GLU QG 155 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 129 VAL QG 1 no 100.0 100.0 19.723 19.728 0.005 39 8 no 0.088 0 0
1 130 SER QB 21 no 100.0 99.9 1.204 1.205 0.001 20 7 no 0.061 0 0
1 131 ASP QB 125 no 100.0 100.0 0.705 0.706 0.000 9 0 no 0.024 0 0
1 132 GLY QA 83 no 100.0 99.9 0.261 0.261 0.000 13 6 no 0.042 0 0
1 133 SER QB 173 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.232 0 0
1 134 GLY QA 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 GLU QB 55 no 100.0 98.6 1.570 1.592 0.022 15 5 no 0.216 0 0
1 135 GLU QG 15 no 100.0 99.9 2.752 2.753 0.001 21 6 no 0.056 0 0
1 136 ILE QG 56 no 100.0 100.0 0.869 0.869 0.000 14 0 no 0.012 0 0
1 137 ASN QB 73 no 100.0 99.9 0.675 0.675 0.001 14 5 no 0.070 0 0
1 137 ASN QD 17 no 100.0 99.9 1.523 1.525 0.002 21 9 no 0.095 0 0
1 138 ILE QG 39 no 100.0 99.8 1.619 1.621 0.003 17 2 no 0.103 0 0
1 139 GLN QB 41 no 100.0 99.7 0.495 0.497 0.002 17 8 no 0.076 0 0
1 139 GLN QE 147 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.022 0 0
1 139 GLN QG 80 no 100.0 100.0 0.520 0.520 0.000 13 1 no 0.044 0 0
1 140 GLN QB 7 no 100.0 99.2 0.887 0.894 0.007 24 4 no 0.128 0 0
1 140 GLN QE 51 no 100.0 0.0 0.000 0.002 0.002 16 8 no 0.116 0 0
1 140 GLN QG 65 no 100.0 0.0 0.000 0.002 0.002 14 4 no 0.076 0 0
1 141 PHE QB 4 no 100.0 99.6 3.486 3.500 0.015 26 2 no 0.122 0 0
1 144 LEU QB 49 no 100.0 100.0 2.461 2.462 0.001 16 5 no 0.055 0 0
1 144 LEU QD 77 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.128 0 0
1 145 LEU QD 9 no 100.0 0.0 0.000 0.000 0.000 22 0 no 0.039 0 0
1 146 SER QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.028 0 0
1 147 LYS QB 32 no 100.0 99.5 1.241 1.247 0.006 18 5 no 0.129 0 0
1 147 LYS QD 144 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.014 0 0
1 148 GLY QA 190 no 100.0 0.0 0.000 0.005 0.005 4 2 no 0.129 0 0
1 150 SER QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.043 0 0
1 152 GLY QA 193 no 0.0 0.0 0.000 0.007 0.007 2 0 no 0.178 0 0
1 155 ARG QD 29 no 100.0 99.6 0.860 0.863 0.004 18 2 no 0.132 0 0
1 156 LYS QG 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.012 0 0
1 158 LEU QB 146 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.010 0 0
1 158 LEU QD 74 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.008 0 0
1 159 ARG QD 28 no 100.0 99.7 0.463 0.464 0.001 18 2 no 0.071 0 0
1 159 ARG QG 89 no 100.0 99.9 1.296 1.297 0.002 12 2 no 0.168 0 0
1 160 ASN QB 84 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.069 0 0
1 160 ASN QD 112 no 100.0 99.9 1.113 1.114 0.001 10 2 no 0.067 0 0
1 161 LYS QB 101 no 100.0 99.5 1.072 1.078 0.006 11 1 no 0.221 0 0
1 162 ILE QG 124 no 100.0 100.0 0.953 0.953 0.000 9 0 no 0.001 0 0
1 163 LEU QB 92 no 100.0 100.0 1.614 1.614 0.000 12 4 no 0.041 0 0
1 163 LEU QD 34 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.020 0 0
1 165 ILE QG 154 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 167 LYS QB 64 no 100.0 100.0 1.080 1.080 0.000 14 4 no 0.000 0 0
1 167 LYS QE 189 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.020 0 0
1 167 LYS QG 153 no 100.0 0.0 0.000 0.006 0.006 6 0 no 0.359 0 0
1 168 VAL QG 107 no 100.0 0.0 0.000 0.003 0.003 10 0 no 0.075 0 0
1 169 SER QB 76 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.033 0 0
1 170 ARG QB 191 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.053 0 0
1 170 ARG QD 114 no 0.0 0.0 0.000 0.001 0.001 10 4 no 0.086 0 0
1 171 MET QB 130 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.043 0 0
1 171 MET QG 129 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.140 0 0
1 172 PHE QB 63 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.049 0 0
1 174 VAL QG 111 no 100.0 0.0 0.000 0.009 0.009 10 2 no 0.159 0 0
1 175 LEU QB 127 no 100.0 100.0 2.758 2.759 0.001 9 2 no 0.051 0 0
1 175 LEU QD 6 no 100.0 100.0 7.631 7.632 0.001 25 6 no 0.118 0 0
1 176 ARG QB 105 no 100.0 99.9 0.865 0.866 0.001 11 4 no 0.076 0 0
1 176 ARG QD 165 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 176 ARG QG 164 no 100.0 0.0 0.000 0.003 0.003 6 2 no 0.129 0 0
stop_
save_