NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628335 |
6d6s   |
30456 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6d6s
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 230
_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 1.206
_Stereo_assign_list.Total_e_high_states 174.069
_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 14 VAL QG 12 no 100.0 0.0 0.000 0.000 0.000 20 0 no 0.000 0 0
1 16 VAL QG 171 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.078 0 0
1 26 VAL QG 14 no 100.0 0.0 0.000 0.003 0.003 20 4 no 0.155 0 0
1 39 VAL QG 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 LEU QD 75 no 100.0 0.0 0.000 0.006 0.006 10 4 no 0.235 0 0
1 44 VAL QG 169 no 100.0 0.0 0.000 0.012 0.012 4 0 no 0.262 0 0
1 46 VAL QG 132 no 100.0 99.8 3.766 3.773 0.008 6 1 no 0.165 0 0
1 50 VAL QG 96 no 60.0 99.8 0.236 0.236 0.000 8 2 no 0.097 0 0
1 60 VAL QG 141 no 95.0 99.3 2.681 2.699 0.018 5 1 no 0.316 0 0
1 65 VAL QG 128 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.122 0 0
1 73 VAL QG 175 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 77 VAL QG 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 78 LEU QD 20 no 100.0 0.0 0.000 0.000 0.000 18 0 no 0.041 0 0
1 81 LEU QD 71 no 100.0 0.0 0.000 0.008 0.008 10 0 no 0.214 0 0
1 110 LEU QD 168 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.083 0 0
1 118 VAL QG 44 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 122 VAL QG 230 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.153 0 0
1 126 VAL QG 43 no 0.0 0.0 0.000 0.009 0.009 14 4 no 0.215 0 0
1 128 LEU QD 51 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.137 0 0
1 136 VAL QG 23 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.047 0 0
1 141 VAL QG 6 no 100.0 99.9 2.916 2.918 0.002 26 6 no 0.119 0 0
1 143 VAL QG 126 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.106 0 0
1 148 VAL QG 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 152 LEU QD 167 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.133 0 0
1 155 LEU QD 187 no 60.0 99.4 0.195 0.196 0.001 3 0 no 0.141 0 0
1 162 TRP QB 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 164 GLU QG 186 no 35.0 100.0 0.020 0.020 0.000 3 0 no 0.010 0 0
1 165 LYS QB 94 no 100.0 96.1 0.002 0.002 0.000 8 1 no 0.122 0 0
1 165 LYS QD 103 no 30.0 98.3 0.172 0.175 0.003 7 1 no 0.093 0 0
1 166 ASP QB 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 167 GLY QA 166 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.100 0 0
1 169 VAL QG 27 no 100.0 100.0 5.528 5.529 0.001 17 1 no 0.098 0 0
1 174 ARG QB 137 no 55.0 81.5 0.027 0.033 0.006 6 2 no 0.199 0 0
1 175 VAL QG 101 no 100.0 99.9 3.663 3.666 0.003 7 0 no 0.141 0 0
1 181 GLY QA 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 182 SER QB 92 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.099 0 0
1 183 VAL QG 15 no 100.0 100.0 2.512 2.512 0.000 20 6 no 0.022 0 0
1 186 GLU QB 165 no 85.0 58.9 0.001 0.003 0.001 4 0 no 0.159 0 0
1 191 GLY QA 185 no 10.0 100.0 0.004 0.004 0.000 3 0 no 0.000 0 0
1 192 LYS QG 124 no 10.0 42.8 0.008 0.019 0.011 6 0 no 0.166 0 0
1 194 SER QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 196 PHE QB 91 no 100.0 100.0 0.005 0.005 0.000 8 0 no 0.152 0 0
1 197 VAL QG 90 no 70.0 100.0 0.199 0.199 0.000 8 0 no 0.027 0 0
1 198 LEU QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 198 LEU QD 40 no 100.0 99.4 7.047 7.087 0.040 14 1 no 0.337 0 0
1 200 MET QG 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 202 GLN QG 100 no 20.0 76.8 0.020 0.026 0.006 7 0 no 0.170 0 0
1 208 GLY QA 173 no 100.0 100.0 0.022 0.022 0.000 4 2 no 0.277 0 0
1 209 PHE QB 105 no 100.0 100.0 0.000 0.000 0.000 7 2 no 0.079 0 0
1 211 ASP QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 212 GLY QA 123 no 100.0 100.0 0.006 0.006 0.000 6 0 no 0.166 0 0
1 215 GLY QA 184 no 100.0 100.0 0.008 0.008 0.000 3 0 no 0.155 0 0
1 216 HIS QB 136 no 100.0 100.0 0.016 0.016 0.000 6 2 no 0.178 0 0
1 217 LYS QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 221 GLU QG 122 no 95.0 99.3 0.002 0.002 0.000 6 0 no 0.089 0 0
1 222 PHE QB 223 no 100.0 100.0 0.005 0.005 0.000 2 0 no 0.180 0 0
1 225 ASP QB 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 226 VAL QG 8 no 100.0 90.6 0.265 0.293 0.028 24 4 no 0.277 0 0
1 228 PHE QB 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 229 PRO QB 191 no 100.0 100.0 0.019 0.019 0.000 3 1 no 0.240 0 0
1 229 PRO QD 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 231 GLU QB 162 no 100.0 100.0 0.004 0.004 0.000 4 0 no 0.205 0 0
1 232 TYR QB 81 no 100.0 99.5 0.023 0.023 0.000 9 2 no 0.240 0 0
1 236 ASN QB 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 237 LEU QB 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 237 LEU QD 2 no 100.0 100.0 3.250 3.251 0.002 33 6 no 0.094 0 0
1 238 LYS QB 190 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 238 LYS QG 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 240 LYS QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 243 LYS QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 244 PHE QB 70 no 100.0 100.0 0.071 0.071 0.000 10 0 no 0.301 0 0
1 247 ASN QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 248 LEU QD 33 no 100.0 100.0 8.476 8.478 0.002 16 3 no 0.102 0 0
1 249 LYS QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 251 VAL QG 89 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 254 ARG QB 88 no 75.0 28.4 0.002 0.008 0.006 8 0 no 0.195 0 0
1 254 ARG QG 62 no 95.0 99.1 4.070 4.108 0.038 11 2 no 0.269 0 0
1 256 LEU QD 160 no 60.0 73.9 0.069 0.093 0.024 4 0 no 0.283 0 0
1 257 PRO QD 214 no 15.0 100.0 0.013 0.013 0.000 2 0 no 0.000 0 0
1 259 LEU QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 259 LEU QD 64 no 95.0 94.9 0.589 0.620 0.031 11 3 no 0.290 0 0
1 269 VAL QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 274 VAL QG 36 no 100.0 99.5 1.914 1.925 0.010 15 2 no 0.247 0 0
1 277 LEU QD 131 no 60.0 98.6 0.161 0.164 0.002 6 1 no 0.134 0 0
1 281 VAL QG 183 no 25.0 100.0 0.036 0.036 0.000 3 0 no 0.000 0 0
1 289 LEU QD 22 no 50.0 80.8 0.092 0.114 0.022 18 4 no 0.242 0 0
1 297 VAL QG 74 no 100.0 0.0 0.000 0.009 0.009 10 4 no 0.233 0 0
1 305 LEU QD 77 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 306 VAL QG 31 no 100.0 100.0 4.888 4.889 0.002 16 2 no 0.105 0 0
1 317 LEU QD 120 no 55.0 99.9 0.381 0.381 0.000 6 0 no 0.066 0 0
1 324 VAL QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 325 LEU QD 107 no 100.0 99.7 1.957 1.962 0.005 7 3 no 0.214 0 0
1 341 LEU QD 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.064 0 0
1 343 LEU QD 60 no 10.0 30.7 0.015 0.049 0.034 11 0 no 0.331 0 0
1 347 LEU QD 59 no 100.0 99.4 1.039 1.045 0.006 11 0 no 0.165 0 0
1 356 VAL QG 118 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.244 0 0
1 357 VAL QG 80 no 100.0 100.0 2.758 2.758 0.000 9 2 no 0.077 0 0
1 358 VAL QG 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 360 LEU QD 69 no 100.0 99.7 9.294 9.321 0.026 10 0 no 0.327 0 0
1 361 LEU QD 42 no 100.0 99.9 7.715 7.721 0.006 14 4 no 0.189 0 0
1 362 LEU QD 4 no 100.0 99.3 2.958 2.979 0.021 26 3 no 0.220 0 0
1 365 VAL QG 26 no 100.0 100.0 3.536 3.536 0.000 17 1 no 0.019 0 0
1 371 LEU QD 17 no 95.0 0.0 0.000 0.020 0.020 20 8 no 0.287 0 0
1 378 VAL QG 55 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.016 0 0
1 381 LEU QD 68 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.069 0 0
1 395 VAL QG 35 no 100.0 0.0 0.000 0.004 0.004 15 0 no 0.158 0 0
1 405 LEU QD 38 no 25.0 86.1 0.201 0.233 0.033 14 0 no 0.224 0 0
1 412 VAL QG 54 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 414 LEU QD 29 no 100.0 99.5 6.477 6.508 0.031 17 8 no 0.224 0 0
1 417 GLN QE 97 no 100.0 0.0 0.000 0.006 0.006 8 8 no 0.134 0 0
1 419 VAL QG 158 no 100.0 99.9 3.187 3.190 0.004 4 0 no 0.157 0 0
1 422 VAL QG 139 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 423 LEU QD 50 no 100.0 0.0 0.000 0.014 0.014 14 8 no 0.276 0 0
1 428 VAL QG 182 no 100.0 100.0 3.889 3.890 0.001 3 0 no 0.099 0 0
1 438 LEU QD 10 no 100.0 0.0 0.000 0.002 0.002 22 6 no 0.171 0 0
2 14 VAL QG 11 no 100.0 0.0 0.000 0.000 0.000 20 0 no 0.000 0 0
2 16 VAL QG 157 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.119 0 0
2 26 VAL QG 13 no 100.0 0.0 0.000 0.004 0.004 20 4 no 0.163 0 0
2 39 VAL QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 43 LEU QD 73 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.162 0 0
2 44 VAL QG 155 no 100.0 0.0 0.000 0.022 0.022 4 0 no 0.305 0 0
2 46 VAL QG 130 no 100.0 99.9 3.949 3.952 0.004 6 1 no 0.109 0 0
2 50 VAL QG 95 no 75.0 99.9 0.386 0.386 0.000 8 2 no 0.075 0 0
2 60 VAL QG 140 no 95.0 99.2 2.426 2.445 0.019 5 1 no 0.337 0 0
2 65 VAL QG 154 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.075 0 0
2 73 VAL QG 174 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 77 VAL QG 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 78 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 18 0 no 0.000 0 0
2 81 LEU QD 67 no 100.0 0.0 0.000 0.004 0.004 10 0 no 0.173 0 0
2 110 LEU QD 153 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.118 0 0
2 116 TYR QD 135 no 100.0 93.0 0.888 0.956 0.067 6 2 no 0.411 0 0
2 118 VAL QG 46 no 100.0 0.0 0.000 0.060 0.060 14 6 no 0.411 0 0
2 122 VAL QG 210 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.200 0 0
2 126 VAL QG 28 no 100.0 99.7 3.097 3.108 0.010 17 4 no 0.203 0 0
2 128 LEU QD 49 no 100.0 0.0 0.000 0.002 0.002 14 8 no 0.200 0 0
2 136 VAL QG 21 no 100.0 0.0 0.000 0.001 0.001 18 4 no 0.120 0 0
2 141 VAL QG 5 no 100.0 99.9 3.019 3.022 0.003 26 6 no 0.146 0 0
2 143 VAL QG 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.033 0 0
2 148 VAL QG 115 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 152 LEU QD 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.049 0 0
2 155 LEU QD 181 no 45.0 99.8 0.449 0.450 0.001 3 0 no 0.080 0 0
2 162 TRP QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 164 GLU QG 180 no 35.0 96.8 0.042 0.044 0.001 3 0 no 0.168 0 0
2 165 LYS QB 93 no 100.0 100.0 0.000 0.000 0.000 8 1 no 0.084 0 0
2 165 LYS QD 102 no 15.0 82.5 0.016 0.020 0.003 7 1 no 0.115 0 0
2 166 ASP QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 167 GLY QA 151 no 100.0 100.0 0.003 0.003 0.000 4 0 no 0.122 0 0
2 169 VAL QG 25 no 100.0 99.9 5.054 5.058 0.004 17 1 no 0.152 0 0
2 174 ARG QB 134 no 100.0 98.3 1.449 1.474 0.025 6 2 no 0.306 0 0
2 175 VAL QG 99 no 100.0 100.0 3.445 3.446 0.001 7 0 no 0.099 0 0
2 181 GLY QA 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 182 SER QB 87 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.101 0 0
2 183 VAL QG 45 no 0.0 0.0 0.000 0.000 0.000 14 6 no 0.071 0 0
2 186 GLU QB 150 no 10.0 18.7 0.000 0.002 0.002 4 0 no 0.112 0 0
2 191 GLY QA 179 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 192 LYS QG 114 no 100.0 100.0 0.013 0.013 0.000 6 0 no 0.184 0 0
2 194 SER QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 196 PHE QB 86 no 100.0 100.0 0.005 0.005 0.000 8 0 no 0.180 0 0
2 197 VAL QG 85 no 90.0 99.5 0.243 0.244 0.001 8 0 no 0.162 0 0
2 198 LEU QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 198 LEU QD 39 no 100.0 99.4 7.007 7.047 0.040 14 1 no 0.316 0 0
2 200 MET QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 202 GLN QG 98 no 15.0 91.9 0.057 0.062 0.005 7 0 no 0.201 0 0
2 208 GLY QA 172 no 100.0 100.0 0.022 0.022 0.000 4 2 no 0.269 0 0
2 209 PHE QB 104 no 100.0 100.0 0.001 0.001 0.000 7 2 no 0.133 0 0
2 211 ASP QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 212 GLY QA 113 no 100.0 100.0 0.003 0.003 0.000 6 0 no 0.129 0 0
2 215 GLY QA 178 no 100.0 100.0 0.006 0.006 0.000 3 0 no 0.134 0 0
2 216 HIS QB 133 no 95.0 92.3 0.013 0.014 0.001 6 2 no 0.165 0 0
2 217 LYS QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 221 GLU QG 112 no 10.0 94.5 0.063 0.067 0.004 6 0 no 0.161 0 0
2 222 PHE QB 177 no 100.0 100.0 0.021 0.021 0.000 3 0 no 0.180 0 0
2 225 ASP QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 226 VAL QG 7 no 100.0 89.5 0.266 0.297 0.031 24 4 no 0.269 0 0
2 228 PHE QB 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 229 PRO QB 189 no 100.0 100.0 0.024 0.024 0.000 3 1 no 0.316 0 0
2 229 PRO QD 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 231 GLU QB 147 no 95.0 97.8 0.011 0.011 0.000 4 0 no 0.205 0 0
2 232 TYR QB 79 no 100.0 99.4 0.025 0.025 0.000 9 2 no 0.316 0 0
2 236 ASN QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 237 LEU QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 237 LEU QD 1 no 100.0 100.0 4.056 4.058 0.001 33 6 no 0.095 0 0
2 238 LYS QB 188 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
2 238 LYS QG 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 240 LYS QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 243 LYS QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 244 PHE QB 66 no 100.0 100.0 0.069 0.069 0.000 10 0 no 0.287 0 0
2 247 ASN QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 248 LEU QD 32 no 100.0 100.0 8.990 8.991 0.001 16 3 no 0.095 0 0
2 249 LYS QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 251 VAL QG 84 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 254 ARG QB 83 no 20.0 24.0 0.001 0.004 0.003 8 0 no 0.183 0 0
2 254 ARG QG 61 no 100.0 97.6 1.827 1.873 0.046 11 2 no 0.306 0 0
2 256 LEU QD 145 no 80.0 76.0 0.086 0.113 0.027 4 0 no 0.274 0 0
2 257 PRO QD 195 no 10.0 100.0 0.005 0.005 0.000 2 0 no 0.000 0 0
2 259 LEU QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 259 LEU QD 63 no 85.0 95.0 0.772 0.812 0.041 11 3 no 0.363 0 0
2 269 VAL QG 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 274 VAL QG 56 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
2 277 LEU QD 129 no 55.0 93.2 0.077 0.083 0.006 6 1 no 0.163 0 0
2 281 VAL QG 176 no 25.0 100.0 0.019 0.019 0.000 3 0 no 0.000 0 0
2 289 LEU QD 18 no 70.0 74.8 0.047 0.062 0.016 19 4 no 0.207 0 0
2 297 VAL QG 72 no 100.0 0.0 0.000 0.014 0.014 10 4 no 0.249 0 0
2 305 LEU QD 76 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.023 0 0
2 306 VAL QG 30 no 100.0 99.9 4.737 4.741 0.004 16 2 no 0.225 0 0
2 317 LEU QD 110 no 70.0 100.0 0.369 0.370 0.000 6 0 no 0.038 0 0
2 324 VAL QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 325 LEU QD 106 no 100.0 99.7 1.854 1.859 0.005 7 3 no 0.239 0 0
2 341 LEU QD 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.076 0 0
2 343 LEU QD 58 no 100.0 16.1 0.006 0.036 0.030 11 0 no 0.263 0 0
2 347 LEU QD 57 no 100.0 99.6 1.037 1.041 0.004 11 0 no 0.255 0 0
2 356 VAL QG 108 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.264 0 0
2 357 VAL QG 78 no 100.0 99.9 2.759 2.762 0.003 9 2 no 0.183 0 0
2 358 VAL QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 360 LEU QD 143 no 100.0 98.8 0.315 0.318 0.004 4 0 no 0.205 0 0
2 361 LEU QD 41 no 100.0 99.9 7.271 7.276 0.004 14 4 no 0.176 0 0
2 362 LEU QD 3 no 100.0 99.2 3.570 3.600 0.029 26 3 no 0.241 0 0
2 365 VAL QG 24 no 100.0 100.0 3.147 3.147 0.000 17 1 no 0.000 0 0
2 371 LEU QD 16 no 100.0 0.0 0.000 0.018 0.018 20 8 no 0.275 0 0
2 378 VAL QG 53 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.040 0 0
2 381 LEU QD 65 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.061 0 0
2 395 VAL QG 34 no 100.0 0.0 0.000 0.005 0.005 15 0 no 0.210 0 0
2 405 LEU QD 37 no 20.0 82.3 0.161 0.195 0.034 14 0 no 0.294 0 0
2 412 VAL QG 52 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
2 414 LEU QD 48 no 100.0 0.0 0.000 0.004 0.004 14 8 no 0.144 0 0
2 417 GLN QE 82 no 25.0 94.3 0.077 0.081 0.005 9 8 no 0.144 0 0
2 419 VAL QG 142 no 100.0 99.9 3.196 3.200 0.004 4 0 no 0.113 0 0
2 422 VAL QG 138 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 423 LEU QD 47 no 100.0 0.0 0.000 0.014 0.014 14 8 no 0.296 0 0
2 438 LEU QD 9 no 100.0 0.0 0.000 0.001 0.001 22 6 no 0.083 0 0
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