NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452506 |
2v9h   |
15247 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2v9h
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 193
_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 0.385
_Stereo_assign_list.Total_e_high_states 231.355
_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 GLU QB 187 no 100.0 100.0 0.001 0.001 0.000 1 0 no 0.131 0 0
1 3 GLY QA 154 no 100.0 0.0 0.000 0.019 0.019 2 0 no 0.257 0 0
1 4 PHE QD 81 no 100.0 100.0 3.623 3.623 0.000 4 0 no 0.048 0 0
1 4 PHE QE 26 no 100.0 100.0 15.876 15.882 0.006 9 3 no 0.134 0 0
1 5 VAL QG 36 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.141 0 0
1 6 VAL QG 20 no 100.0 0.0 0.000 0.042 0.042 10 4 no 0.284 0 0
1 7 LYS QB 193 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 7 LYS QD 192 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 7 LYS QG 160 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 8 ASP QB 172 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 9 ILE QG 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 HIS QB 99 no 50.0 100.0 0.002 0.002 0.000 4 2 no 0.000 0 0
1 11 PHE QB 70 no 100.0 100.0 0.001 0.001 0.000 5 4 no 0.094 0 0
1 11 PHE QD 25 no 100.0 100.0 7.759 7.761 0.002 9 0 no 0.110 0 0
1 14 LEU QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 LEU QD 22 no 100.0 0.0 0.000 0.001 0.001 10 6 no 0.117 0 0
1 15 GLN QG 186 no 5.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 16 ARG QG 185 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 17 VAL QG 30 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.066 0 0
1 19 VAL QG 17 no 5.0 0.0 0.000 0.002 0.002 12 6 no 0.054 0 0
1 20 GLY QA 171 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 23 LEU QB 54 no 5.0 100.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 23 LEU QD 16 no 100.0 0.0 0.000 0.031 0.031 12 6 no 0.271 0 0
1 24 LEU QB 151 no 100.0 100.0 0.032 0.032 0.000 2 0 no 0.000 0 0
1 24 LEU QD 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 SER QB 103 no 15.0 6.3 0.000 0.000 0.000 4 3 no 0.026 0 0
1 26 MET QB 98 no 100.0 100.0 0.000 0.000 0.000 4 2 no 0.007 0 0
1 26 MET QG 55 no 100.0 0.0 0.000 0.000 0.000 6 5 no 0.000 0 0
1 27 PRO QB 170 no 5.0 100.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 27 PRO QD 169 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 27 PRO QG 159 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 28 VAL QG 15 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.091 0 0
1 29 ARG QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 ARG QD 148 no 70.0 76.6 0.007 0.009 0.002 2 0 no 0.291 0 0
1 29 ARG QG 147 no 75.0 75.6 0.005 0.006 0.002 2 0 no 0.342 0 0
1 31 GLY QA 107 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.141 0 0
1 32 ASP QB 80 no 100.0 99.4 0.001 0.001 0.000 4 0 no 0.078 0 0
1 34 VAL QG 11 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.054 0 0
1 35 ASN QB 118 no 95.0 77.2 0.022 0.029 0.007 3 0 no 0.355 0 0
1 36 ASP QB 146 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 GLU QG 168 no 90.0 38.8 0.000 0.000 0.000 2 2 no 0.029 0 0
1 38 ASP QB 45 no 40.0 69.7 0.000 0.001 0.000 6 2 no 0.054 0 0
1 39 ILE QG 97 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 41 ASN QB 86 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 41 ASN QD 106 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.029 0 0
1 43 ILE QG 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 ARG QD 184 no 25.0 94.7 0.000 0.000 0.000 1 0 no 0.020 0 0
1 44 ARG QG 117 no 25.0 8.4 0.001 0.010 0.009 3 0 no 0.244 0 0
1 46 LEU QB 69 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 46 LEU QD 1 no 100.0 0.0 0.000 0.005 0.005 26 14 no 0.127 0 0
1 47 PHE QB 116 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 47 PHE QD 79 no 100.0 100.0 3.015 3.016 0.000 4 0 no 0.066 0 0
1 47 PHE QE 115 no 85.0 100.0 0.501 0.501 0.000 3 0 no 0.000 0 0
1 51 ASN QB 96 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 51 ASN QD 78 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.109 0 0
1 52 PHE QB 53 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 52 PHE QD 29 no 70.0 91.5 0.335 0.367 0.031 8 0 no 0.324 0 0
1 52 PHE QE 28 no 50.0 99.9 0.132 0.132 0.000 8 0 no 0.060 0 0
1 54 ASP QB 68 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 55 VAL QG 4 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.000 0 0
1 56 ARG QB 167 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 56 ARG QD 166 no 95.0 58.7 0.000 0.000 0.000 2 2 no 0.044 0 0
1 56 ARG QG 144 no 70.0 93.8 0.011 0.011 0.001 2 0 no 0.211 0 0
1 57 VAL QG 95 no 100.0 0.0 0.000 0.003 0.003 4 2 no 0.165 0 0
1 58 LEU QB 183 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.018 0 0
1 58 LEU QD 35 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.070 0 0
1 59 ARG QB 114 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 59 ARG QD 158 no 25.0 1.2 0.000 0.001 0.001 2 1 no 0.113 0 0
1 59 ARG QG 113 no 75.0 11.4 0.001 0.005 0.005 3 0 no 0.141 0 0
1 60 ASP QB 67 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 61 GLY QA 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 ASP QB 66 no 5.0 79.9 0.000 0.000 0.000 5 3 no 0.007 0 0
1 64 LEU QB 44 no 75.0 79.1 0.003 0.004 0.001 6 2 no 0.075 0 0
1 64 LEU QD 21 no 0.0 0.0 0.000 0.003 0.003 10 6 no 0.106 0 0
1 65 LEU QB 102 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 65 LEU QD 12 no 100.0 0.0 0.000 0.000 0.000 14 12 no 0.000 0 0
1 66 VAL QG 10 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 67 GLN QB 128 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 67 GLN QE 56 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 67 GLN QG 43 no 15.0 97.9 0.000 0.000 0.000 6 2 no 0.008 0 0
1 68 VAL QG 7 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.073 0 0
1 69 LYS QB 85 no 10.0 35.0 0.000 0.000 0.000 4 1 no 0.042 0 0
1 69 LYS QD 191 no 5.0 100.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 69 LYS QG 84 no 60.0 74.6 0.003 0.004 0.001 4 1 no 0.118 0 0
1 72 PRO QB 94 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 72 PRO QD 127 no 20.0 26.3 0.000 0.001 0.001 3 2 no 0.112 0 0
1 76 SER QB 93 no 75.0 97.8 0.002 0.002 0.000 4 2 no 0.033 0 0
1 77 ILE QG 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 PHE QB 126 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 79 PHE QD 6 no 100.0 100.0 26.268 26.277 0.008 15 3 no 0.131 0 0
1 79 PHE QE 2 no 100.0 100.0 50.611 50.620 0.010 22 5 no 0.176 0 0
1 80 SER QB 165 no 30.0 73.9 0.001 0.001 0.000 2 2 no 0.041 0 0
1 81 GLY QA 105 no 100.0 0.0 0.000 0.004 0.004 4 4 no 0.119 0 0
1 82 ASN QB 164 no 100.0 100.0 0.000 0.000 0.000 2 2 no 0.001 0 0
1 82 ASN QD 104 no 100.0 0.0 0.000 0.004 0.004 4 4 no 0.119 0 0
1 83 LYS QD 182 no 15.0 74.7 0.006 0.008 0.002 1 0 no 0.159 0 0
1 83 LYS QG 141 no 50.0 65.4 0.004 0.006 0.002 2 0 no 0.219 0 0
1 84 SER QB 65 no 80.0 100.0 0.003 0.003 0.000 5 3 no 0.000 0 0
1 85 VAL QG 5 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.000 0 0
1 86 LYS QB 92 no 90.0 79.3 0.002 0.002 0.000 4 2 no 0.116 0 0
1 86 LYS QG 40 no 80.0 61.9 0.005 0.008 0.003 6 1 no 0.321 0 0
1 88 ASP QB 120 no 95.0 71.5 0.002 0.002 0.001 3 1 no 0.116 0 0
1 89 MET QB 61 no 100.0 100.0 0.000 0.000 0.000 5 2 no 0.039 0 0
1 89 MET QG 52 no 30.0 55.3 0.001 0.001 0.001 6 4 no 0.055 0 0
1 90 LEU QB 60 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 90 LEU QD 9 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.065 0 0
1 91 LYS QD 112 no 30.0 98.9 0.002 0.002 0.000 3 0 no 0.023 0 0
1 91 LYS QG 83 no 100.0 28.6 0.000 0.000 0.000 4 1 no 0.031 0 0
1 92 GLN QB 181 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 92 GLN QG 111 no 45.0 0.6 0.000 0.009 0.009 3 0 no 0.174 0 0
1 93 ASN QB 34 no 80.0 87.8 0.007 0.007 0.001 8 4 no 0.061 0 0
1 93 ASN QD 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.054 0 0
1 94 LEU QB 125 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 94 LEU QD 19 no 100.0 0.0 0.000 0.028 0.028 10 4 no 0.247 0 0
1 95 GLU QB 77 no 45.0 100.0 0.001 0.001 0.000 4 0 no 0.000 0 0
1 95 GLU QG 39 no 90.0 77.1 0.006 0.008 0.002 7 3 no 0.155 0 0
1 97 SER QB 91 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 98 GLY QA 51 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.077 0 0
1 99 VAL QG 24 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 100 ARG QB 157 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 100 ARG QD 190 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 100 ARG QG 48 no 95.0 95.0 0.003 0.003 0.000 6 3 no 0.237 0 0
1 101 VAL QG 42 no 0.0 0.0 0.000 0.010 0.010 6 2 no 0.134 0 0
1 102 GLY QA 139 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.157 0 0
1 103 GLU QB 119 no 100.0 100.0 0.000 0.000 0.000 3 1 no 0.027 0 0
1 103 GLU QG 82 no 75.0 81.6 0.117 0.144 0.026 4 1 no 0.419 0 0
1 104 SER QB 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 LEU QB 180 no 100.0 89.5 0.015 0.017 0.002 1 0 no 0.112 0 0
1 105 LEU QD 33 no 100.0 98.7 0.242 0.245 0.003 8 4 no 0.151 0 0
1 106 ASP QB 179 no 85.0 53.5 0.003 0.006 0.003 1 0 no 0.134 0 0
1 107 ARG QB 130 no 90.0 14.5 0.000 0.000 0.000 3 3 no 0.066 0 0
1 107 ARG QD 64 no 40.0 10.5 0.001 0.007 0.006 5 3 no 0.172 0 0
1 107 ARG QG 124 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 110 ILE QG 76 no 100.0 93.3 0.002 0.002 0.000 4 0 no 0.020 0 0
1 112 ASP QB 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 ILE QG 75 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.046 0 0
1 114 GLU QB 90 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 114 GLU QG 59 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 115 LYS QB 110 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.094 0 0
1 115 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 115 LYS QG 177 no 15.0 79.6 0.000 0.001 0.000 1 0 no 0.048 0 0
1 116 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 117 LEU QB 162 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 117 LEU QD 8 no 100.0 0.0 0.000 0.007 0.007 14 8 no 0.115 0 0
1 118 GLU QB 89 no 15.0 41.0 0.000 0.000 0.000 4 2 no 0.075 0 0
1 118 GLU QG 41 no 95.0 74.2 0.001 0.001 0.000 6 2 no 0.110 0 0
1 119 ASP QB 123 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 120 PHE QB 88 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 120 PHE QD 57 no 100.0 100.0 2.781 2.781 0.000 5 0 no 0.060 0 0
1 121 TYR QB 74 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 121 TYR QD 27 no 100.0 100.0 19.299 19.300 0.001 8 0 no 0.074 0 0
1 121 TYR QE 13 no 100.0 100.0 18.881 18.883 0.002 12 3 no 0.081 0 0
1 122 TYR QB 136 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 122 TYR QD 73 no 100.0 100.0 5.022 5.024 0.002 4 0 no 0.089 0 0
1 122 TYR QE 176 no 5.0 99.6 0.006 0.006 0.000 1 0 no 0.021 0 0
1 124 VAL QG 14 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.066 0 0
1 126 LYS QG 135 no 95.0 7.7 0.000 0.004 0.004 2 0 no 0.190 0 0
1 127 TYR QB 58 no 40.0 100.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 127 TYR QD 18 no 100.0 100.0 47.962 47.965 0.003 11 3 no 0.100 0 0
1 127 TYR QE 38 no 100.0 100.0 26.862 26.865 0.003 7 1 no 0.103 0 0
1 130 SER QB 101 no 15.0 19.0 0.000 0.000 0.000 4 3 no 0.067 0 0
1 131 VAL QG 3 no 100.0 0.0 0.000 0.000 0.000 20 14 no 0.053 0 0
1 132 LYS QB 47 no 5.0 75.8 0.000 0.000 0.000 6 3 no 0.008 0 0
1 132 LYS QE 189 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 132 LYS QG 122 no 100.0 100.0 0.001 0.001 0.000 3 2 no 0.111 0 0
1 134 VAL QG 161 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 135 VAL QG 87 no 100.0 0.0 0.000 0.016 0.016 4 2 no 0.252 0 0
1 137 PRO QB 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 137 PRO QD 109 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 137 PRO QG 134 no 100.0 100.0 0.018 0.018 0.000 2 0 no 0.000 0 0
1 138 LEU QB 188 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 138 LEU QD 37 no 100.0 0.0 0.000 0.001 0.001 8 6 no 0.068 0 0
1 139 PRO QD 129 no 30.0 50.4 0.001 0.002 0.001 3 3 no 0.068 0 0
1 140 ARG QB 156 no 100.0 100.0 0.006 0.006 0.000 2 1 no 0.192 0 0
1 140 ARG QD 174 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 141 ASN QB 173 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 142 ARG QB 121 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 142 ARG QD 63 no 85.0 77.5 0.006 0.008 0.002 5 3 no 0.192 0 0
1 143 VAL QG 32 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.044 0 0
1 145 LEU QB 133 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 145 LEU QD 132 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.158 0 0
1 146 LYS QB 100 no 25.0 87.9 0.004 0.005 0.001 4 3 no 0.077 0 0
1 146 LYS QD 62 no 75.0 44.3 0.002 0.005 0.003 5 3 no 0.155 0 0
1 146 LYS QE 50 no 55.0 45.0 0.002 0.005 0.002 6 4 no 0.097 0 0
1 146 LYS QG 131 no 35.0 100.0 0.002 0.002 0.000 2 0 no 0.000 0 0
1 147 LEU QB 155 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 147 LEU QD 31 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.026 0 0
1 148 VAL QG 23 no 100.0 0.0 0.000 0.008 0.008 10 8 no 0.115 0 0
1 149 PHE QB 108 no 70.0 13.3 0.001 0.007 0.006 3 0 no 0.200 0 0
1 149 PHE QD 72 no 90.0 100.0 1.476 1.476 0.000 4 0 no 0.055 0 0
1 149 PHE QE 71 no 5.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 150 GLN QB 46 no 100.0 100.0 0.000 0.000 0.000 6 3 no 0.036 0 0
1 153 VAL QG 49 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.067 0 0
stop_
save_
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