NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
435046 |
2jxy   |
15578 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2jxy
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 229
_Stereo_assign_list.Swap_count 5
_Stereo_assign_list.Swap_percentage 2.2
_Stereo_assign_list.Deassign_count 10
_Stereo_assign_list.Deassign_percentage 4.4
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 11.112
_Stereo_assign_list.Total_e_high_states 87.452
_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 3 PRO QD 182 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 5 LEU QD 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 CYS QB 62 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 7 ASP QB 139 no 35.0 100.0 0.183 0.183 0.000 5 0 no 0.000 0 0
1 8 PRO QB 170 no 25.0 100.0 0.082 0.082 0.000 4 2 no 0.004 0 0
1 9 ASN QB 133 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 9 ASN QD 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 LEU QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 LEU QD 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 SER QB 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 12 PHE QB 119 no 85.0 100.0 0.672 0.672 0.000 6 0 no 0.000 0 0
1 13 ASP QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 VAL QG 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 18 VAL QG 95 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 20 ASN QB 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 ASN QD 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 LYS QB 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 22 ILE QG 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 PHE QB 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.021 0 0
1 26 LYS QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 LYS QD 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 LYS QG 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 27 ASP QB 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 ARG QB 229 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 28 ARG QD 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.068 0 0
1 28 ARG QG 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 PHE QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 PHE QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 30 PHE QD 228 no 70.0 64.3 4.095 6.372 2.278 1 0 yes 3.137 6 6
1 30 PHE QE 227 no 70.0 61.8 4.245 6.873 2.628 1 0 yes 3.311 6 6
1 31 TRP QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 32 LEU QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 32 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 33 LYS QB 132 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 33 LYS QD 115 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.052 0 0
1 33 LYS QE 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 LYS QG 56 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.053 0 0
1 34 VAL QG 9 no 100.0 0.0 0.000 0.000 0.000 18 12 no 0.000 0 0
1 35 SER QB 131 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.090 0 0
1 36 GLU QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 ARG QB 8 no 100.0 0.0 0.000 0.000 0.000 18 12 no 0.053 0 0
1 37 ARG QD 33 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.206 0 0
1 38 PRO QD 21 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 38 PRO QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 LYS QG 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 41 SER QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 VAL QG 94 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 43 ASN QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 ASN QD 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 LEU QD 76 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 45 ILE QG 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 47 SER QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.051 0 0
1 48 LEU QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 48 LEU QD 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 49 TRP QB 130 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 50 PRO QG 181 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 52 LEU QB 180 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 52 LEU QD 1 no 100.0 0.0 0.000 0.000 0.000 30 16 no 0.000 0 0
1 53 PRO QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.044 0 0
1 53 PRO QD 61 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 53 PRO QG 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.064 0 0
1 54 SER QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 GLY QA 99 no 80.0 99.8 0.146 0.146 0.000 7 0 no 0.057 0 0
1 56 ILE QG 25 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.017 0 0
1 57 GLU QB 111 no 5.0 100.0 0.001 0.001 0.000 6 0 no 0.000 0 0
1 57 GLU QG 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 GLU QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 GLU QG 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 65 ARG QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 ARG QG 44 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.040 0 0
1 66 ASN QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 ASN QD 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 67 GLN QB 129 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 67 GLN QE 98 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 68 VAL QG 55 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 69 PHE QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 LEU QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 PHE QD 138 no 40.0 6.5 0.066 1.005 0.939 5 0 yes 2.272 5 7
1 73 ASP QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.057 0 0
1 74 ASP QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 LYS QB 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 75 LYS QG 43 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.017 0 0
1 76 TYR QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 TYR QD 64 no 80.0 95.1 0.042 0.044 0.002 9 0 no 0.666 0 2
1 76 TYR QE 153 no 60.0 91.8 0.426 0.464 0.038 4 0 yes 1.546 5 6
1 78 LEU QB 75 no 85.0 100.0 0.575 0.575 0.000 8 0 no 0.010 0 0
1 78 LEU QD 7 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.000 0 0
1 80 SER QB 32 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 81 ASN QB 63 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 82 LEU QB 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 82 LEU QD 54 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 83 ARG QD 31 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 83 ARG QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 PRO QB 34 no 100.0 0.0 0.000 0.000 0.000 12 12 no 0.039 0 0
1 84 PRO QD 30 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 84 PRO QG 53 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 85 GLU QB 24 no 100.0 100.0 2.978 2.979 0.000 13 2 no 0.048 0 0
1 85 GLU QG 2 no 100.0 0.0 0.000 0.000 0.000 26 16 no 0.028 0 0
1 86 PRO QB 134 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.021 0 0
1 87 ASN QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 ASN QD 128 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.021 0 0
1 88 TYR QB 6 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.039 0 0
1 88 TYR QD 199 yes 95.0 97.0 15.430 15.914 0.484 2 0 yes 2.212 2 2
1 89 PRO QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.042 0 0
1 89 PRO QD 127 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.051 0 0
1 90 LYS QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 LYS QD 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 91 SER QB 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 92 ILE QG 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 93 HIS QB 74 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.027 0 0
1 94 SER QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 PHE QB 93 no 95.0 0.0 0.000 0.001 0.001 8 4 no 0.099 0 0
1 96 GLY QA 126 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 97 PHE QB 125 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.084 0 0
1 97 PHE QD 197 no 100.0 100.0 0.001 0.001 0.000 2 0 no 0.155 0 0
1 98 PRO QD 179 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 98 PRO QG 178 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 99 ASN QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
1 100 PHE QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 VAL QG 3 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.000 0 0
1 102 LYS QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 LYS QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 LYS QG 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.006 0 0
1 105 ASP QB 52 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 108 VAL QG 60 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 109 PHE QE 137 no 90.0 90.8 18.037 19.857 1.821 5 0 yes 3.475 4 4
1 110 ASN QB 14 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 111 PRO QB 37 no 40.0 84.0 0.016 0.019 0.003 11 4 no 0.149 0 0
1 111 PRO QD 51 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 111 PRO QG 177 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 112 ARG QB 97 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.035 0 0
1 112 ARG QD 59 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.035 0 0
1 113 PHE QB 92 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 114 TYR QB 50 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 114 TYR QD 194 no 65.0 95.4 0.321 0.337 0.016 2 0 no 0.374 0 0
1 114 TYR QE 193 no 70.0 63.1 0.497 0.787 0.291 2 0 yes 1.293 1 6
1 115 ARG QB 46 no 95.0 99.9 1.587 1.588 0.002 10 2 no 0.176 0 0
1 115 ARG QD 45 no 100.0 0.0 0.000 0.005 0.005 10 2 no 0.255 0 0
1 117 TYR QB 91 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 117 TYR QD 183 no 75.0 98.9 0.349 0.353 0.004 3 0 no 0.279 0 0
1 117 TYR QE 192 no 100.0 100.0 12.754 12.755 0.000 2 0 no 0.082 0 0
1 119 PHE QB 176 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 119 PHE QD 226 no 75.0 75.1 3.512 4.678 1.166 1 0 yes 2.329 5 5
1 120 VAL QG 90 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 122 ASN QB 89 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 122 ASN QD 175 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 123 GLN QB 73 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.010 0 0
1 123 GLN QE 174 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 124 TYR QB 88 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 128 ASP QB 4 no 100.0 100.0 0.105 0.105 0.000 21 0 no 0.002 0 0
1 130 ARG QB 100 no 10.0 100.0 0.001 0.001 0.000 7 1 no 0.000 0 0
1 130 ARG QD 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 ARG QG 29 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 131 ARG QB 13 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 131 ARG QG 10 no 100.0 100.0 0.147 0.147 0.000 16 3 no 0.016 0 0
1 132 GLN QB 87 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 132 GLN QE 173 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 133 MET QB 15 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.000 0 0
1 134 MET QB 58 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 135 ASP QB 57 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 136 PRO QB 172 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 136 PRO QG 171 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 137 GLY QA 96 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 138 TYR QB 36 no 100.0 100.0 0.787 0.787 0.000 11 2 no 0.000 0 0
1 138 TYR QD 72 yes 85.0 80.8 3.893 4.819 0.926 8 0 yes 2.589 5 5
1 138 TYR QE 38 yes 90.0 78.3 1.614 2.062 0.447 11 6 yes 2.350 2 2
1 139 PRO QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.028 0 0
1 140 LYS QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 140 LYS QE 77 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.071 0 0
1 141 LEU QB 18 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 141 LEU QD 20 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 144 LYS QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 LYS QG 12 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 145 ASN QB 49 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 147 GLN QG 17 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.117 0 0
1 148 GLY QA 71 no 10.0 100.0 0.002 0.002 0.000 8 0 no 0.000 0 0
1 149 ILE QG 136 no 15.0 100.0 0.118 0.118 0.000 5 0 no 0.000 0 0
1 150 GLY QA 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 151 PRO QB 124 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 151 PRO QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 PRO QG 123 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 152 LYS QB 86 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 153 ILE QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 ASP QB 70 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 156 VAL QG 85 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 158 TYR QB 122 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 159 SER QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.021 0 0
1 160 LYS QB 42 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 160 LYS QG 41 no 35.0 99.3 0.087 0.088 0.001 10 0 no 0.066 0 0
1 161 ASN QD 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 162 LYS QB 69 no 100.0 100.0 0.074 0.074 0.000 8 0 no 0.000 0 0
1 162 LYS QD 65 no 100.0 100.0 1.185 1.186 0.000 9 2 no 0.049 0 0
1 162 LYS QG 35 no 70.0 100.0 0.554 0.554 0.000 11 0 no 0.017 0 0
1 163 TYR QB 84 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 164 TYR QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 166 PHE QE 135 yes 85.0 99.4 0.559 0.562 0.003 5 0 no 0.252 0 0
1 167 PHE QB 68 no 100.0 0.0 0.000 0.006 0.006 8 0 no 0.185 0 0
1 168 GLN QE 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 169 GLY QA 83 no 100.0 0.0 0.000 0.006 0.006 8 4 no 0.211 0 0
1 170 SER QB 48 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.004 0 0
1 171 ASN QB 40 no 55.0 100.0 0.156 0.156 0.000 10 0 no 0.011 0 0
1 171 ASN QD 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 172 GLN QG 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
1 173 PHE QD 16 yes 95.0 91.1 0.348 0.382 0.034 15 0 no 0.811 0 1
1 174 GLU QB 102 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 174 GLU QG 47 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.008 0 0
1 175 TYR QB 141 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.221 0 0
1 176 ASP QB 82 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 177 PHE QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 178 LEU QB 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 178 LEU QD 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 179 LEU QD 28 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 180 GLN QB 121 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.009 0 0
1 181 ARG QB 27 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 181 ARG QD 81 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 182 ILE QG 23 no 100.0 100.0 0.695 0.696 0.000 13 0 no 0.031 0 0
1 184 LYS QB 67 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.021 0 0
1 184 LYS QD 80 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 186 LEU QB 66 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.071 0 0
1 186 LEU QD 11 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 187 LYS QB 39 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.110 0 0
1 188 SER QB 5 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.000 0 0
1 189 ASN QB 79 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 189 ASN QD 22 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.009 0 0
1 190 SER QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 191 TRP QB 78 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 192 PHE QB 26 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 193 GLY QA 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 194 CYS QB 120 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.040 0 0
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