Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538727 | 2ls8 RC | 18415 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ls8
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 190
_Stereo_assign_list.Swap_count 12
_Stereo_assign_list.Swap_percentage 6.3
_Stereo_assign_list.Deassign_count 9
_Stereo_assign_list.Deassign_percentage 4.7
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 90.847
_Stereo_assign_list.Total_e_high_states 399.197
_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 VAL QG 149 no 75.0 100.0 0.853 0.853 0.000 4 0 no 0.047 0 0
1 3 CYS QB 100 no 40.0 99.4 0.157 0.157 0.001 7 3 no 0.095 0 0
1 4 PRO QD 68 no 5.0 93.6 0.011 0.011 0.001 9 3 no 0.095 0 0
1 4 PRO QG 187 no 30.0 100.0 0.213 0.213 0.000 1 0 no 0.000 0 0
1 5 ILE QG 177 no 15.0 99.0 0.002 0.002 0.000 2 0 no 0.014 0 0
1 7 TRP QB 133 no 50.0 100.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 8 ARG QB 154 no 70.0 82.5 0.016 0.019 0.003 4 2 no 0.105 0 0
1 8 ARG QD 21 no 75.0 4.1 0.186 4.585 4.399 14 8 no 0.210 0 0
1 8 ARG QG 79 yes 75.0 21.8 0.170 0.780 0.610 8 1 no 0.064 0 0
1 10 PHE QB 52 no 40.0 35.6 1.111 3.119 2.008 10 4 no 0.099 0 0
1 10 PHE QD 178 yes 100.0 100.0 4.318 4.319 0.001 2 1 no 0.092 0 0
1 10 PHE QE 138 yes 100.0 100.0 3.159 3.160 0.000 5 3 no 0.024 0 0
1 11 GLN QB 99 no 10.0 72.1 0.000 0.001 0.000 7 3 no 0.042 0 0
1 11 GLN QE 107 no 55.0 54.7 0.001 0.002 0.001 7 7 no 0.052 0 0
1 11 GLN QG 31 no 50.0 42.2 0.042 0.100 0.058 12 6 no 0.074 0 0
1 12 SER QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 ASN QB 28 no 90.0 74.8 0.128 0.172 0.043 13 6 no 0.779 0 1
1 13 ASN QD 137 no 100.0 95.0 0.004 0.005 0.000 5 3 no 0.165 0 0
1 14 CYS QB 114 no 100.0 100.0 2.428 2.429 0.001 6 0 no 0.078 0 0
1 15 TYR QB 24 no 15.0 100.0 0.000 0.000 0.000 13 0 no 0.000 0 0
1 15 TYR QD 13 no 75.0 65.2 25.277 38.754 13.477 16 7 yes 3.215 51 62
1 15 TYR QE 51 no 75.0 66.8 14.744 22.074 7.330 10 4 yes 3.060 26 30
1 16 PHE QB 33 no 100.0 100.0 0.000 0.000 0.000 11 0 no 0.057 0 0
1 16 PHE QD 67 no 100.0 100.0 16.966 16.968 0.002 9 3 no 0.110 0 0
1 16 PHE QE 148 no 100.0 100.0 5.756 5.757 0.001 4 0 no 0.108 0 0
1 17 PRO QB 80 no 90.0 49.1 0.200 0.408 0.207 8 2 no 0.058 0 0
1 17 PRO QD 98 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.027 0 0
1 17 PRO QG 45 no 35.0 11.4 0.025 0.217 0.193 10 2 no 0.000 0 0
1 18 LEU QB 35 no 30.0 3.7 0.007 0.202 0.195 11 1 no 0.153 0 0
1 20 ASP QB 163 no 65.0 96.4 0.085 0.088 0.003 3 0 no 0.136 0 0
1 21 ASN QB 106 no 100.0 81.0 0.004 0.005 0.001 7 4 no 0.186 0 0
1 21 ASN QD 128 no 40.0 98.3 0.040 0.041 0.001 6 4 no 0.105 0 0
1 22 LYS QB 97 no 30.0 87.3 0.039 0.044 0.006 7 2 no 0.162 0 0
1 22 LYS QD 153 no 15.0 85.6 0.025 0.029 0.004 4 2 no 0.221 0 0
1 22 LYS QE 88 no 55.0 99.5 0.483 0.486 0.003 8 6 no 0.093 0 0
1 22 LYS QG 105 no 80.0 37.6 0.002 0.004 0.003 7 4 no 0.230 0 0
1 24 TRP QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 26 GLU QB 77 no 100.0 100.0 0.042 0.042 0.000 8 0 no 0.000 0 0
1 26 GLU QG 32 no 75.0 99.5 0.423 0.425 0.002 11 0 no 0.095 0 0
1 27 SER QB 132 no 95.0 43.4 0.000 0.001 0.000 5 0 no 0.054 0 0
1 29 ARG QB 162 no 85.0 100.0 1.675 1.675 0.000 3 0 no 0.039 0 0
1 29 ARG QG 60 no 20.0 63.3 0.010 0.017 0.006 9 0 no 0.184 0 0
1 30 ASN QB 53 no 95.0 99.8 1.088 1.090 0.002 10 6 no 0.093 0 0
1 30 ASN QD 127 no 25.0 99.6 0.003 0.003 0.000 6 4 no 0.012 0 0
1 31 CYS QB 44 no 100.0 67.5 0.001 0.002 0.000 10 0 no 0.136 0 0
1 32 SER QB 34 no 50.0 92.7 0.032 0.034 0.003 11 1 no 0.114 0 0
1 34 MET QB 43 no 20.0 97.0 0.042 0.043 0.001 10 0 no 0.092 0 0
1 34 MET QG 59 no 30.0 82.1 0.025 0.030 0.005 9 0 no 0.132 0 0
1 35 GLY QA 64 no 55.0 96.0 0.004 0.004 0.000 9 2 no 0.058 0 0
1 37 HIS QB 84 no 50.0 77.4 0.013 0.017 0.004 8 3 no 0.215 0 0
1 38 LEU QB 119 no 25.0 99.4 0.185 0.186 0.001 6 1 no 0.087 0 0
1 39 MET QG 175 no 95.0 92.2 0.001 0.001 0.000 2 0 no 0.123 0 0
1 41 ILE QG 118 no 100.0 100.0 0.004 0.004 0.000 6 1 no 0.259 0 0
1 42 SER QB 147 no 30.0 95.9 0.006 0.006 0.000 4 0 no 0.057 0 0
1 44 GLU QB 150 no 100.0 91.3 0.014 0.015 0.001 4 1 no 0.521 0 1
1 44 GLU QG 63 no 45.0 99.6 0.494 0.496 0.002 9 2 no 0.075 0 0
1 46 GLU QG 186 no 100.0 100.0 0.001 0.001 0.000 1 0 no 0.149 0 0
1 47 GLN QB 30 no 65.0 98.2 0.055 0.056 0.001 12 1 no 0.071 0 0
1 47 GLN QE 136 no 90.0 98.3 0.393 0.400 0.007 5 3 no 0.357 0 0
1 47 GLN QG 10 no 45.0 89.7 0.009 0.010 0.001 20 2 no 0.126 0 0
1 48 ASN QB 117 no 15.0 90.4 0.068 0.075 0.007 6 1 no 0.196 0 0
1 48 ASN QD 83 no 75.0 99.2 0.298 0.301 0.002 8 3 no 0.079 0 0
1 49 PHE QB 50 no 65.0 12.1 0.572 4.713 4.141 10 4 no 0.092 0 0
1 50 ILE QG 93 no 80.0 99.9 0.164 0.164 0.000 7 1 no 0.034 0 0
1 52 GLN QB 72 no 40.0 65.5 0.013 0.020 0.007 9 4 no 0.123 0 0
1 52 GLN QE 42 no 15.0 79.9 0.015 0.019 0.004 11 8 no 0.105 0 0
1 52 GLN QG 71 no 75.0 95.0 0.011 0.012 0.001 9 4 no 0.055 0 0
1 53 PHE QB 58 no 100.0 99.7 0.715 0.718 0.002 9 0 no 0.070 0 0
1 53 PHE QD 122 no 100.0 100.0 6.382 6.383 0.001 6 2 no 0.075 0 0
1 53 PHE QE 87 no 100.0 100.0 32.912 32.913 0.001 8 5 no 0.088 0 0
1 54 LEU QB 185 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.031 0 0
1 55 ASP QB 57 no 100.0 98.3 0.005 0.005 0.000 9 0 no 0.122 0 0
1 56 ARG QD 19 yes 85.0 32.9 1.133 3.446 2.313 14 4 yes 2.456 14 21
1 56 ARG QG 36 no 80.0 96.9 0.862 0.890 0.028 11 2 no 0.554 0 1
1 57 ARG QB 40 no 20.0 80.5 0.002 0.003 0.000 11 4 no 0.071 0 0
1 57 ARG QD 85 no 15.0 92.7 0.009 0.009 0.001 8 4 no 0.089 0 0
1 57 ARG QG 184 no 30.0 99.2 0.192 0.193 0.002 1 0 no 0.175 0 0
1 58 LEU QB 82 no 100.0 99.7 0.264 0.265 0.001 8 3 no 0.036 0 0
1 59 SER QB 6 yes 85.0 1.3 0.290 23.051 22.761 25 11 no 0.317 0 0
1 60 TYR QB 49 no 85.0 100.0 0.143 0.143 0.000 10 4 no 0.000 0 0
1 60 TYR QD 16 yes 95.0 94.9 20.636 21.747 1.110 15 4 yes 3.611 4 6
1 60 TYR QE 5 yes 95.0 95.4 32.856 34.427 1.571 29 7 yes 2.894 7 11
1 61 PHE QB 78 no 10.0 99.0 0.002 0.002 0.000 8 1 no 0.019 0 0
1 61 PHE QD 183 no 55.0 99.9 0.197 0.197 0.000 1 0 no 0.035 0 0
1 61 PHE QE 182 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.012 0 0
1 62 LEU QB 92 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 63 GLY QA 135 no 5.0 90.0 0.017 0.019 0.002 5 3 no 0.174 0 0
1 64 LEU QB 66 no 15.0 94.1 0.029 0.030 0.002 9 3 no 0.103 0 0
1 65 ARG QB 104 no 15.0 100.0 0.003 0.003 0.000 7 4 no 0.000 0 0
1 65 ARG QD 152 no 70.0 99.1 1.159 1.170 0.011 4 2 no 0.229 0 0
1 65 ARG QG 56 no 15.0 99.5 0.246 0.247 0.001 9 0 no 0.091 0 0
1 66 ASP QB 181 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 67 GLU QB 190 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 68 ASN QB 14 no 55.0 97.2 0.170 0.175 0.005 16 8 no 0.175 0 0
1 68 ASN QD 139 no 100.0 99.8 1.050 1.052 0.002 5 4 no 0.135 0 0
1 70 LYS QB 146 no 35.0 99.9 0.084 0.084 0.000 4 0 no 0.032 0 0
1 70 LYS QG 48 no 65.0 88.1 0.046 0.052 0.006 10 3 no 0.175 0 0
1 71 GLY QA 161 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.078 0 0
1 72 GLN QB 96 no 20.0 98.9 0.022 0.022 0.000 7 2 no 0.055 0 0
1 72 GLN QE 151 no 100.0 34.9 0.000 0.000 0.000 4 2 no 0.055 0 0
1 73 TRP QB 62 no 65.0 94.9 0.128 0.135 0.007 9 1 no 0.050 0 0
1 74 ARG QB 126 no 10.0 73.7 0.004 0.006 0.002 6 4 no 0.134 0 0
1 74 ARG QD 125 no 40.0 100.0 0.004 0.004 0.000 6 4 no 0.000 0 0
1 75 TRP QB 25 no 10.0 26.5 0.001 0.005 0.004 13 1 no 0.169 0 0
1 76 VAL QG 9 no 65.0 97.7 0.160 0.163 0.004 21 9 no 0.174 0 0
1 77 ASP QB 95 no 30.0 95.7 0.080 0.084 0.004 7 2 no 0.185 0 0
1 78 GLN QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 78 GLN QE 166 no 60.0 99.5 0.884 0.889 0.005 3 1 no 0.151 0 0
1 80 PRO QB 81 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
1 80 PRO QD 47 no 0.0 0.0 0.000 0.000 0.000 10 3 no 0.026 0 0
1 80 PRO QG 61 no 30.0 24.4 0.002 0.006 0.005 9 1 no 0.151 0 0
1 81 PHE QB 145 no 90.0 99.8 0.328 0.329 0.001 4 0 no 0.076 0 0
1 81 PHE QD 160 yes 100.0 100.0 0.833 0.833 0.000 3 0 no 0.000 0 0
1 81 PHE QE 189 yes 100.0 100.0 0.134 0.134 0.000 1 1 no 0.000 0 0
1 82 ASN QB 22 no 95.0 96.2 0.082 0.085 0.003 14 9 no 0.193 0 0
1 82 ASN QD 73 no 60.0 99.5 1.158 1.163 0.005 9 6 no 0.193 0 0
1 83 PRO QB 124 no 5.0 24.1 0.000 0.000 0.000 6 3 no 0.030 0 0
1 83 PRO QD 41 no 100.0 0.0 0.000 0.000 0.000 11 5 no 0.022 0 0
1 83 PRO QG 134 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 84 ARG QB 116 no 90.0 99.3 0.612 0.616 0.004 6 1 no 0.236 0 0
1 85 ARG QB 54 no 85.0 99.7 0.913 0.915 0.002 10 7 no 0.109 0 0
1 85 ARG QD 121 no 10.0 44.6 0.002 0.004 0.002 6 2 no 0.150 0 0
1 86 VAL QG 7 no 100.0 99.9 1.642 1.643 0.001 23 0 no 0.100 0 0
1 87 PHE QB 144 no 20.0 100.0 0.042 0.042 0.000 4 0 no 0.000 0 0
1 87 PHE QD 112 no 95.0 95.6 23.916 25.016 1.100 6 0 yes 3.005 4 6
1 87 PHE QE 165 no 95.0 99.1 1.647 1.663 0.015 3 1 no 0.521 0 1
1 88 TRP QB 76 no 60.0 99.8 0.368 0.369 0.001 8 0 no 0.087 0 0
1 90 LYS QB 111 no 20.0 4.0 0.000 0.005 0.004 6 0 no 0.172 0 0
1 90 LYS QG 91 no 40.0 96.7 0.354 0.367 0.012 7 0 no 0.288 0 0
1 91 ASN QB 103 no 40.0 16.0 0.000 0.001 0.001 7 4 no 0.056 0 0
1 91 ASN QD 156 no 45.0 99.1 0.125 0.126 0.001 4 4 no 0.056 0 0
1 92 GLU QB 143 no 45.0 97.9 0.234 0.239 0.005 4 0 no 0.184 0 0
1 95 ASN QD 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 SER QB 164 no 40.0 98.1 0.182 0.185 0.004 3 1 no 0.149 0 0
1 97 GLN QB 110 no 20.0 98.9 0.123 0.124 0.001 6 0 no 0.095 0 0
1 97 GLN QE 180 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 98 GLY QA 142 no 35.0 97.7 0.007 0.008 0.000 4 0 no 0.044 0 0
1 99 GLU QB 172 no 15.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 GLU QG 141 no 45.0 88.7 0.040 0.045 0.005 4 0 no 0.187 0 0
1 100 ASN QB 159 no 15.0 98.7 0.035 0.035 0.000 3 0 no 0.075 0 0
1 101 CYS QB 188 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 102 VAL QG 1 no 95.0 99.8 2.538 2.543 0.005 36 4 no 0.113 0 0
1 103 VAL QG 2 no 85.0 39.4 2.082 5.290 3.208 36 16 no 0.317 0 0
1 104 LEU QB 12 no 10.0 77.1 0.007 0.009 0.002 16 2 no 0.117 0 0
1 105 VAL QG 3 no 100.0 99.8 4.022 4.029 0.007 33 17 no 0.388 0 0
1 106 TYR QB 90 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 106 TYR QD 38 no 70.0 64.6 20.741 32.107 11.367 11 3 yes 3.885 97 102
1 106 TYR QE 65 no 70.0 65.7 14.807 22.526 7.719 9 3 yes 3.732 59 67
1 107 ASN QB 20 no 70.0 99.0 0.063 0.063 0.001 14 8 no 0.068 0 0
1 107 ASN QD 86 no 95.0 99.9 0.302 0.302 0.000 8 5 no 0.048 0 0
1 108 GLN QB 131 no 90.0 100.0 0.002 0.002 0.000 5 0 no 0.000 0 0
1 109 ASP QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 110 LYS QB 109 no 15.0 76.6 0.000 0.000 0.000 6 0 no 0.042 0 0
1 110 LYS QG 29 no 90.0 98.2 0.143 0.146 0.003 12 0 no 0.132 0 0
1 111 TRP QB 15 no 10.0 100.0 0.000 0.000 0.000 15 0 no 0.000 0 0
1 113 TRP QB 179 no 5.0 100.0 0.001 0.001 0.000 1 0 no 0.000 0 0
1 114 ASN QB 17 no 85.0 98.4 0.558 0.567 0.009 15 12 no 0.097 0 0
1 114 ASN QD 129 no 85.0 98.0 0.092 0.094 0.002 6 6 no 0.056 0 0
1 115 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 116 VAL QG 4 yes 85.0 17.5 0.797 4.551 3.754 30 20 yes 1.370 1 2
1 117 PRO QB 74 no 100.0 84.8 4.727 5.576 0.849 9 7 no 0.030 0 0
1 117 PRO QD 27 no 60.0 100.0 0.737 0.737 0.000 13 6 no 0.061 0 0
1 117 PRO QG 102 no 85.0 99.8 0.744 0.745 0.001 7 4 no 0.085 0 0
1 118 CYS QB 171 no 10.0 100.0 0.002 0.002 0.000 2 0 no 0.000 0 0
1 119 ASN QB 70 no 55.0 97.2 0.062 0.064 0.002 9 4 no 0.084 0 0
1 119 ASN QD 155 no 45.0 100.0 0.029 0.029 0.000 4 4 no 0.000 0 0
1 120 PHE QB 8 no 70.0 94.7 0.167 0.176 0.009 22 9 no 0.114 0 0
1 120 PHE QD 101 yes 100.0 99.7 8.954 8.978 0.024 7 4 no 0.088 0 0
1 120 PHE QE 123 yes 100.0 100.0 27.112 27.112 0.000 6 3 no 0.000 0 0
1 121 GLU QB 75 no 60.0 100.0 0.250 0.250 0.000 8 0 no 0.028 0 0
1 121 GLU QG 23 no 75.0 95.3 0.356 0.373 0.017 13 0 no 0.297 0 0
1 123 SER QB 37 no 65.0 81.9 0.065 0.079 0.014 11 3 no 0.084 0 0
1 124 ARG QB 115 no 95.0 12.0 0.089 0.743 0.653 6 1 no 0.062 0 0
1 125 ILE QG 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 126 CYS QB 18 no 55.0 100.0 0.279 0.279 0.000 14 1 no 0.030 0 0
1 127 LYS QB 46 no 45.0 33.2 0.699 2.101 1.403 10 3 no 0.104 0 0
1 128 ILE QG 69 no 100.0 100.0 0.001 0.001 0.000 9 4 no 0.102 0 0
1 129 PRO QB 39 no 30.0 88.6 0.019 0.022 0.002 11 4 no 0.125 0 0
1 129 PRO QD 11 no 100.0 100.0 0.001 0.001 0.000 17 8 no 0.078 0 0
1 129 PRO QG 26 no 85.0 99.7 0.610 0.612 0.002 13 2 no 0.107 0 0
1 130 GLY QA 130 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 133 LEU QB 108 no 90.0 99.9 0.322 0.323 0.000 6 0 no 0.098 0 0
1 134 ASN QB 169 no 5.0 93.5 0.004 0.005 0.000 2 0 no 0.035 0 0
1 134 ASN QD 168 no 40.0 81.8 0.009 0.011 0.002 2 0 no 0.083 0 0
1 137 ASN QD 157 no 30.0 99.8 0.170 0.170 0.000 3 0 no 0.074 0 0
1 138 LEU QB 89 no 10.0 48.9 0.005 0.011 0.005 7 0 no 0.226 0 0
1 140 PHE QB 55 no 100.0 100.0 0.139 0.139 0.000 9 0 no 0.000 0 0
1 141 GLN QB 120 no 90.0 99.3 0.652 0.657 0.005 6 2 no 0.196 0 0
1 141 GLN QE 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 SER QB 94 no 95.0 98.0 0.416 0.424 0.009 7 2 no 0.196 0 0
stop_
save_