NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434558 |
2jwy   |
15542 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2jwy
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 206
_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 0.092
_Stereo_assign_list.Total_e_high_states 185.052
_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 GLN QB 202 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 6 GLU QB 167 no 5.0 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 7 VAL QG 166 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 8 ARG QB 145 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 9 GLN QG 201 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 14 VAL QG 165 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 15 SER QB 200 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 17 LEU QB 156 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 17 LEU QD 128 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 18 ASN QB 164 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 19 GLN QB 199 no 5.0 100.0 0.001 0.001 0.000 3 0 no 0.000 0 0
1 19 GLN QE 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 GLU QB 163 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 21 MET QB 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 MET QG 152 no 5.0 50.0 0.000 0.000 0.000 7 0 no 0.025 0 0
1 23 GLN QB 96 no 5.0 100.0 0.000 0.000 0.000 15 6 no 0.000 0 0
1 23 GLN QE 148 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 24 LEU QB 198 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 24 LEU QD 139 no 100.0 98.4 0.211 0.214 0.003 9 0 no 0.168 0 0
1 26 GLN QB 116 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 26 GLN QE 102 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.001 0 0
1 26 GLN QG 138 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 27 GLU QG 137 no 15.0 50.0 0.000 0.000 0.000 9 0 no 0.051 0 0
1 29 VAL QG 35 no 100.0 100.0 7.492 7.494 0.001 25 0 no 0.107 0 0
1 30 LYS QB 36 no 65.0 100.0 0.341 0.341 0.000 25 3 no 0.000 0 0
1 30 LYS QD 95 no 100.0 2.8 0.000 0.000 0.000 15 5 no 0.058 0 0
1 31 ILE QG 57 no 100.0 100.0 2.093 2.093 0.000 19 0 no 0.000 0 0
1 33 GLN QB 69 no 100.0 97.8 0.118 0.121 0.003 18 3 no 0.189 0 0
1 33 GLN QE 144 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.038 0 0
1 33 GLN QG 31 no 100.0 100.0 0.156 0.156 0.000 26 6 no 0.000 0 0
1 34 GLN QB 76 no 100.0 99.9 0.693 0.693 0.000 17 0 no 0.062 0 0
1 34 GLN QE 147 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.102 0 0
1 35 ASN QB 94 no 100.0 0.0 0.000 0.000 0.000 15 4 no 0.000 0 0
1 35 ASN QD 16 no 80.0 100.0 0.214 0.214 0.000 33 4 no 0.018 0 0
1 36 ARG QG 151 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 37 LEU QB 140 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 37 LEU QD 3 no 100.0 100.0 4.228 4.228 0.000 50 16 no 0.028 0 0
1 38 ASN QB 136 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 38 ASN QD 26 no 85.0 100.0 1.200 1.200 0.000 27 3 no 0.054 0 0
1 40 LYS QB 47 no 100.0 100.0 0.425 0.425 0.000 22 1 no 0.000 0 0
1 40 LYS QG 105 no 100.0 0.0 0.000 0.000 0.000 13 0 no 0.000 0 0
1 41 SER QB 104 no 100.0 0.0 0.000 0.000 0.000 13 0 no 0.000 0 0
1 43 SER QB 197 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 44 GLY QA 59 no 95.0 100.0 3.845 3.846 0.000 19 4 no 0.033 0 0
1 45 VAL QG 37 no 100.0 100.0 3.885 3.886 0.001 25 7 no 0.058 0 0
1 46 TYR QB 176 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 47 LEU QB 172 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 47 LEU QD 10 no 100.0 100.0 8.056 8.057 0.001 39 13 no 0.071 0 0
1 48 LEU QB 186 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 48 LEU QD 73 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.029 0 0
1 49 PRO QB 45 no 100.0 100.0 0.357 0.357 0.000 23 7 no 0.045 0 0
1 49 PRO QG 64 no 70.0 99.5 0.392 0.393 0.002 19 7 no 0.090 0 0
1 50 GLY QA 170 no 100.0 100.0 2.794 2.795 0.000 6 3 no 0.058 0 0
1 52 LYS QB 130 no 100.0 0.0 0.000 0.000 0.000 10 5 no 0.000 0 0
1 52 LYS QD 129 no 100.0 0.0 0.000 0.000 0.000 10 5 no 0.000 0 0
1 52 LYS QG 162 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.011 0 0
1 54 PRO QB 92 no 100.0 99.9 0.165 0.165 0.000 15 0 no 0.056 0 0
1 54 PRO QD 175 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 54 PRO QG 91 no 100.0 99.4 1.526 1.535 0.009 15 0 no 0.107 0 0
1 56 ARG QG 75 no 100.0 0.0 0.000 0.000 0.000 17 0 no 0.000 0 0
1 57 LEU QB 90 no 100.0 99.8 0.649 0.650 0.001 16 8 no 0.058 0 0
1 57 LEU QD 5 no 100.0 99.9 8.475 8.480 0.004 46 13 no 0.116 0 0
1 58 GLU QB 119 no 5.0 50.0 0.000 0.001 0.000 11 0 no 0.086 0 0
1 59 SER QB 58 no 100.0 0.0 0.000 0.000 0.000 19 4 no 0.000 0 0
1 60 GLN QB 24 no 100.0 100.0 0.113 0.113 0.000 29 11 no 0.000 0 0
1 60 GLN QE 115 no 0.0 0.0 0.000 0.000 0.000 12 6 no 0.008 0 0
1 62 GLY QA 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 LEU QB 93 no 85.0 100.0 0.265 0.265 0.000 15 4 no 0.010 0 0
1 64 LEU QD 25 no 100.0 0.0 0.000 0.000 0.000 28 14 no 0.000 0 0
1 66 MET QB 34 no 85.0 99.9 0.264 0.265 0.000 26 8 no 0.057 0 0
1 66 MET QG 54 no 100.0 100.0 0.267 0.267 0.000 20 1 no 0.027 0 0
1 67 SER QB 146 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.071 0 0
1 68 LEU QB 83 no 100.0 100.0 0.378 0.378 0.000 17 9 no 0.000 0 0
1 68 LEU QD 28 no 100.0 100.0 7.406 7.407 0.001 27 8 no 0.051 0 0
1 69 VAL QG 15 no 100.0 99.8 5.160 5.170 0.010 36 15 no 0.191 0 0
1 70 ASN QB 60 no 100.0 100.0 1.262 1.263 0.000 19 5 no 0.042 0 0
1 70 ASN QD 52 no 95.0 89.6 0.009 0.010 0.001 21 7 no 0.191 0 0
1 71 ILE QG 32 no 100.0 100.0 3.103 3.103 0.000 26 7 no 0.033 0 0
1 73 PRO QB 196 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 73 PRO QD 70 no 100.0 99.7 0.663 0.665 0.002 18 4 no 0.088 0 0
1 73 PRO QG 143 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.059 0 0
1 74 ASP QB 118 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
1 76 ASP QB 103 no 5.0 39.2 0.000 0.001 0.000 13 0 no 0.065 0 0
1 77 GLY QA 109 no 100.0 0.0 0.000 0.000 0.000 13 3 no 0.000 0 0
1 80 LEU QB 46 no 90.0 100.0 0.009 0.009 0.000 23 8 no 0.000 0 0
1 80 LEU QD 6 no 100.0 100.0 9.569 9.569 0.000 43 17 no 0.033 0 0
1 82 LEU QB 72 no 100.0 99.9 0.343 0.343 0.000 18 6 no 0.025 0 0
1 82 LEU QD 65 no 100.0 99.9 1.521 1.523 0.002 19 8 no 0.083 0 0
1 83 ARG QB 169 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 83 ARG QD 155 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 83 ARG QG 107 no 100.0 100.0 0.350 0.350 0.000 13 2 no 0.000 0 0
1 84 ILE QG 106 no 100.0 0.0 0.000 0.002 0.002 13 2 no 0.083 0 0
1 85 GLN QB 61 no 100.0 0.0 0.000 0.000 0.000 19 6 no 0.000 0 0
1 85 GLN QE 171 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 85 GLN QG 150 no 100.0 50.0 0.000 0.000 0.000 7 0 no 0.048 0 0
1 86 GLY QA 127 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.020 0 0
1 87 GLU QB 117 no 5.0 50.0 0.000 0.000 0.000 11 0 no 0.018 0 0
1 87 GLU QG 142 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 88 SER QB 113 no 100.0 43.2 0.000 0.001 0.000 12 2 no 0.085 0 0
1 89 ASN QB 161 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 89 ASN QD 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 ASP QB 177 no 100.0 0.0 0.000 0.000 0.000 5 5 no 0.000 0 0
1 91 PRO QB 67 no 95.0 100.0 0.450 0.450 0.000 18 0 no 0.032 0 0
1 91 PRO QD 88 no 90.0 100.0 0.814 0.814 0.000 16 5 no 0.030 0 0
1 91 PRO QG 110 no 95.0 100.0 0.814 0.814 0.000 12 0 no 0.021 0 0
1 92 LEU QB 97 no 100.0 100.0 0.607 0.607 0.000 15 8 no 0.009 0 0
1 92 LEU QD 9 no 100.0 100.0 3.525 3.525 0.000 40 18 no 0.044 0 0
1 93 PRO QB 195 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 93 PRO QD 89 no 60.0 100.0 0.100 0.100 0.000 16 7 no 0.000 0 0
1 93 PRO QG 124 no 40.0 100.0 0.022 0.022 0.000 10 3 no 0.009 0 0
1 95 PHE QB 149 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 96 SER QB 82 no 100.0 0.0 0.000 0.000 0.000 17 7 no 0.041 0 0
1 97 GLY QA 49 no 25.0 100.0 0.004 0.004 0.000 22 4 no 0.000 0 0
1 99 VAL QG 43 no 100.0 0.0 0.000 0.000 0.000 24 10 no 0.054 0 0
1 100 GLU QB 160 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 100 GLU QG 121 no 15.0 44.9 0.000 0.001 0.000 10 0 no 0.063 0 0
1 101 TYR QB 154 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 102 GLY QA 51 no 100.0 100.0 0.232 0.232 0.000 21 5 no 0.000 0 0
1 103 GLN QB 18 no 100.0 100.0 0.334 0.334 0.000 32 15 no 0.000 0 0
1 103 GLN QE 20 no 90.0 100.0 0.535 0.535 0.000 30 14 no 0.000 0 0
1 103 GLN QG 23 no 100.0 100.0 0.398 0.398 0.000 29 8 no 0.002 0 0
1 104 ILE QG 22 no 100.0 100.0 2.561 2.561 0.000 29 8 no 0.038 0 0
1 105 GLN QB 66 no 100.0 100.0 1.139 1.139 0.000 19 9 no 0.042 0 0
1 105 GLN QE 55 no 100.0 100.0 0.413 0.413 0.000 20 6 no 0.025 0 0
1 106 GLY QA 50 no 100.0 100.0 0.463 0.463 0.000 22 9 no 0.000 0 0
1 108 ILE QG 41 no 100.0 99.8 0.366 0.367 0.001 24 2 no 0.085 0 0
1 109 ASP QB 112 no 20.0 98.9 0.064 0.065 0.001 12 2 no 0.100 0 0
1 110 ASN QB 123 no 15.0 100.0 0.002 0.002 0.000 10 3 no 0.000 0 0
1 110 ASN QD 80 no 100.0 100.0 0.000 0.000 0.000 17 5 no 0.016 0 0
1 111 PHE QB 19 no 100.0 100.0 0.370 0.370 0.000 30 10 no 0.010 0 0
1 112 GLN QB 101 no 55.0 100.0 0.347 0.347 0.000 14 2 no 0.000 0 0
1 112 GLN QE 159 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 112 GLN QG 99 no 100.0 100.0 0.531 0.531 0.000 14 1 no 0.000 0 0
1 113 GLU QB 122 no 30.0 100.0 0.016 0.016 0.000 10 2 no 0.000 0 0
1 114 ILE QG 29 no 100.0 100.0 0.457 0.457 0.000 27 14 no 0.009 0 0
1 115 ASN QB 63 no 90.0 100.0 0.049 0.049 0.000 19 7 no 0.000 0 0
1 115 ASN QD 8 no 100.0 100.0 3.277 3.277 0.000 41 24 no 0.000 0 0
1 116 VAL QG 14 no 100.0 99.9 4.905 4.909 0.003 36 9 no 0.133 0 0
1 117 GLN QB 174 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 117 GLN QE 48 no 65.0 98.6 0.154 0.156 0.002 22 4 no 0.133 0 0
1 117 GLN QG 168 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 118 ASN QB 84 no 85.0 100.0 0.101 0.101 0.000 16 0 no 0.003 0 0
1 118 ASN QD 158 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 119 GLN QB 38 no 100.0 98.3 0.031 0.031 0.001 25 9 no 0.074 0 0
1 119 GLN QE 2 no 100.0 100.0 3.460 3.460 0.001 51 20 no 0.045 0 0
1 119 GLN QG 30 no 100.0 98.6 0.254 0.258 0.004 26 4 no 0.100 0 0
1 120 LEU QD 77 no 100.0 100.0 12.104 12.106 0.001 17 1 no 0.063 0 0
1 121 ILE QG 11 no 100.0 100.0 6.622 6.622 0.001 37 8 no 0.054 0 0
1 122 ASN QB 62 no 95.0 100.0 0.809 0.809 0.000 19 7 no 0.023 0 0
1 122 ASN QD 71 no 100.0 100.0 3.209 3.210 0.001 18 6 no 0.063 0 0
1 124 PRO QB 194 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 124 PRO QD 100 no 5.0 100.0 0.000 0.000 0.000 14 2 no 0.000 0 0
1 124 PRO QG 173 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 126 SER QB 135 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 127 VAL QG 141 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 128 LEU QB 126 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 128 LEU QD 125 no 100.0 99.4 0.455 0.458 0.003 10 4 no 0.144 0 0
1 130 PRO QB 134 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 130 PRO QG 133 no 55.0 100.0 0.064 0.064 0.000 9 0 no 0.011 0 0
1 131 SER QB 86 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 132 ASP QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 133 VAL QG 40 no 100.0 100.0 7.299 7.300 0.001 24 2 no 0.053 0 0
1 134 ASP QB 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 135 ILE QG 21 no 100.0 100.0 3.829 3.830 0.001 29 4 no 0.050 0 0
1 136 PRO QB 193 no 30.0 49.7 0.002 0.004 0.002 3 0 no 0.127 0 0
1 136 PRO QD 79 no 90.0 100.0 0.078 0.078 0.000 17 3 no 0.003 0 0
1 137 LEU QB 39 no 65.0 100.0 0.543 0.543 0.000 25 15 no 0.024 0 0
1 137 LEU QD 17 no 100.0 99.9 4.604 4.609 0.005 33 18 no 0.150 0 0
1 138 GLN QB 81 no 100.0 100.0 0.000 0.000 0.000 17 6 no 0.021 0 0
1 138 GLN QE 114 no 100.0 100.0 1.116 1.116 0.000 12 6 no 0.021 0 0
1 138 GLN QG 98 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 139 LEU QB 56 no 100.0 50.0 0.002 0.004 0.002 20 10 no 0.109 0 0
1 139 LEU QD 1 no 100.0 100.0 12.927 12.929 0.002 64 34 no 0.087 0 0
1 140 LYS QG 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 141 GLY QA 108 no 30.0 100.0 0.010 0.010 0.000 13 3 no 0.000 0 0
1 142 ILE QG 13 no 100.0 99.9 1.783 1.784 0.001 36 9 no 0.076 0 0
1 143 SER QB 78 no 100.0 50.0 0.000 0.000 0.000 17 3 no 0.030 0 0
1 144 VAL QG 33 no 100.0 0.0 0.000 0.000 0.000 26 8 no 0.032 0 0
1 145 ASP QB 42 no 15.0 100.0 0.131 0.131 0.000 24 4 no 0.000 0 0
1 146 GLN QE 120 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
1 146 GLN QG 44 no 100.0 100.0 0.421 0.421 0.000 23 6 no 0.022 0 0
1 147 LEU QB 27 no 90.0 100.0 0.470 0.470 0.000 27 7 no 0.000 0 0
1 147 LEU QD 4 no 100.0 99.9 3.095 3.097 0.002 47 22 no 0.070 0 0
1 148 GLY QA 87 no 100.0 100.0 0.407 0.407 0.000 16 5 no 0.019 0 0
1 149 PHE QB 111 no 65.0 100.0 0.036 0.036 0.000 12 2 no 0.000 0 0
1 150 VAL QG 7 no 100.0 100.0 12.053 12.054 0.001 41 14 no 0.051 0 0
1 151 ARG QB 192 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 151 ARG QG 191 no 10.0 50.0 0.000 0.001 0.000 3 0 no 0.066 0 0
1 152 ILE QG 153 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 154 ASP QB 85 no 40.0 100.0 0.300 0.300 0.000 16 4 no 0.019 0 0
1 155 ILE QG 68 no 35.0 100.0 0.048 0.048 0.000 18 1 no 0.000 0 0
1 156 GLN QB 131 no 100.0 0.0 0.000 0.000 0.000 10 9 no 0.000 0 0
1 156 GLN QE 53 no 100.0 100.0 0.477 0.477 0.000 21 10 no 0.018 0 0
1 157 PRO QB 190 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 157 PRO QD 74 no 95.0 100.0 0.054 0.054 0.000 18 8 no 0.000 0 0
1 157 PRO QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 VAL QG 12 no 100.0 99.9 7.217 7.220 0.004 36 7 no 0.109 0 0
1 159 MET QB 189 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 159 MET QG 132 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 160 GLN QB 188 no 5.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 160 GLN QE 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 LEU QB 206 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 161 LEU QD 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 162 GLU QG 157 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 163 HIS QB 187 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 167 HIS QB 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_
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