Project name: f54227937626c06

Status: done

Started: 2025-02-12 08:16:10
Settings
Chain sequence(s) A: MKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDAALYEEVEYYYQRALGIYQTKLGPDDPNVAKTKNNLASCYLKQGKFKQAETLYKEILTRAHEREFG
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations Yes
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:16)
[INFO]       Auto_mut: Residue number 342 from chain A and a score of 1.064 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 213 from chain A and a score of 0.834 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 341 from chain A and a score of 0.458 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 212 from chain A and a score of 0.330 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 211 from chain A and a score of 0.198 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 231 from chain A and a score of 0.184 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 339 from chain A and a score of 0.061 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 3 from chain A and a score of 0.000 omitted from automated   
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 8 from chain A and a score of 0.000 omitted from automated   
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 10 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 12 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 17 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 20 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 21 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 24 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 25 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 28 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 44 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 48 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 52 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 58 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 59 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 60 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 61 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 62 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 65 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 68 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 69 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 71 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 76 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 77 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 80 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 82 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 86 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 90 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 94 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 95 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 97 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 98 from chain A and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 105 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 106 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 107 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 108 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 109 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 110 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 111 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 113 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 114 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 115 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 116 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 117 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 119 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 123 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 130 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 133 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 137 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 140 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 147 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 148 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 150 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 152 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 155 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 157 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 158 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 159 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 160 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 161 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 162 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 163 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 164 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 167 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 169 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 170 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 183 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 184 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 188 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 189 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 192 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 193 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 196 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 199 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 200 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 204 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 205 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 209 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 214 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 217 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 218 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 223 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 224 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 225 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 226 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 227 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 228 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 229 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 232 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 233 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 236 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 244 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 245 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 248 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 249 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 251 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 256 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 258 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 259 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 260 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 262 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 263 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 264 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 265 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 266 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 267 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 268 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 271 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 273 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 277 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 280 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 281 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 285 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 286 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 290 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 291 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 294 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 301 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 302 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 303 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 304 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 305 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 308 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 309 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 320 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 321 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 322 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 324 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 325 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 332 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 333 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 334 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 337 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 340 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 343 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 344 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 347 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 348 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 350 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 351 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 352 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 361 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 362 from chain A and a score of 0.000 omitted from automated 
                       muatation (excluded by the user).                                           (00:07:18)
[INFO]       Auto_mut: Residue number 230 from chain A and a score of -0.022 omitted from          
                       automated muatation (excluded by the user).                                 (00:07:18)
[INFO]       Auto_mut: Residue number 346 from chain A and a score of -0.057 omitted from          
                       automated muatation (excluded by the user).                                 (00:07:18)
[INFO]       Auto_mut: Residue number 338 from chain A and a score of -0.063 omitted from          
                       automated muatation (excluded by the user).                                 (00:07:18)
[INFO]       Auto_mut: Residue number 156 from chain A and a score of -0.092 omitted from          
                       automated muatation (excluded by the user).                                 (00:07:18)
[INFO]       Auto_mut: Residue number 405 from chain A and a score of -0.098 (phenylalanine)       
                       selected for automated muatation                                            (00:07:18)
[INFO]       Auto_mut: Residue number 149 from chain A and a score of -0.135 omitted from          
                       automated muatation (excluded by the user).                                 (00:07:18)
[INFO]       Auto_mut: Mutating residue number 405 from chain A (phenylalanine) into lysine        (00:07:18)
[INFO]       Auto_mut: Mutating residue number 405 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 405 from chain A (phenylalanine) into glutamic acid (00:07:18)
[INFO]       Auto_mut: Mutating residue number 405 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 405 from chain A (phenylalanine) into aspartic acid (00:07:18)
[INFO]       Auto_mut: Mutating residue number 405 from chain A (phenylalanine) into arginine      (00:10:56)
[INFO]       Auto_mut: Effect of mutation residue number 405 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.2114 kcal/mol, Difference in average    
                       score from the base case: -0.0206                                           (00:14:25)
[INFO]       Auto_mut: Effect of mutation residue number 405 from chain A (phenylalanine) into     
                       lysine: Energy difference: -0.6405 kcal/mol, Difference in average score    
                       from the base case: -0.0194                                                 (00:14:25)
[INFO]       Auto_mut: Effect of mutation residue number 405 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: -0.1977 kcal/mol, Difference in average   
                       score from the base case: -0.0159                                           (00:14:25)
[INFO]       Auto_mut: Effect of mutation residue number 405 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.5800 kcal/mol, Difference in average score  
                       from the base case: -0.0251                                                 (00:14:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:26)
Show buried residues

Minimal score value
-4.0771
Maximal score value
1.0642
Average score
-1.0087
Total score value
-428.7099

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 M A -0.4619
2 K A -2.0484
3 I A 0.0000
4 E A -3.2173
5 E A -3.1839
6 G A -2.2182
7 K A -2.1518
8 L A 0.0000
9 V A -0.2563
10 I A 0.0000
11 W A -0.3112
12 I A 0.0000
13 N A -1.8864
14 G A -2.2134
15 D A -2.2896
16 K A -1.8621
17 G A 0.0000
18 Y A -1.4725
19 N A -2.0004
20 G A 0.0000
21 L A 0.0000
22 A A -1.8034
23 E A -3.0485
24 V A 0.0000
25 G A 0.0000
26 K A -4.0771
27 K A -3.7278
28 F A 0.0000
29 E A -3.8048
30 K A -3.9011
31 D A -3.0591
32 T A -2.0862
33 G A -2.2851
34 I A -2.1854
35 K A -2.4728
36 V A -1.4387
37 T A -0.5936
38 V A -0.4904
39 E A -1.3457
40 H A -2.0687
41 P A -2.0508
42 D A -3.2949
43 K A -3.4626
44 L A 0.0000
45 E A -2.4694
46 E A -3.3988
47 K A -2.7235
48 F A 0.0000
49 P A -1.5547
50 Q A -1.7706
51 V A -0.9635
52 A A 0.0000
53 A A -0.4685
54 T A -0.4709
55 G A -0.5311
56 D A -1.1992
57 G A -0.8756
58 P A 0.0000
59 D A 0.0000
60 I A 0.0000
61 I A 0.0000
62 F A 0.0000
63 W A -0.3040
64 A A -0.5567
65 H A 0.0000
66 D A -1.2627
67 R A -2.0300
68 F A 0.0000
69 G A 0.0000
70 G A -1.3501
71 Y A 0.0000
72 A A -1.6116
73 Q A -1.6342
74 S A -1.0573
75 G A -1.1520
76 L A 0.0000
77 L A 0.0000
78 A A -1.1443
79 E A -2.2019
80 I A 0.0000
81 T A -1.4114
82 P A 0.0000
83 D A -2.9372
84 K A -3.2693
85 A A -2.2238
86 F A 0.0000
87 Q A -2.5864
88 D A -3.1293
89 K A -2.2799
90 L A 0.0000
91 Y A -0.8258
92 P A -0.8996
93 F A -0.5723
94 T A 0.0000
95 W A 0.0000
96 D A -1.4819
97 A A 0.0000
98 V A 0.0000
99 R A -2.1391
100 Y A -1.9291
101 N A -2.1224
102 G A -1.9949
103 K A -2.4142
104 L A -1.6373
105 I A 0.0000
106 A A 0.0000
107 Y A 0.0000
108 P A 0.0000
109 I A 0.0000
110 A A 0.0000
111 V A 0.0000
112 E A -0.6701
113 A A 0.0000
114 L A 0.0000
115 S A 0.0000
116 L A 0.0000
117 I A 0.0000
118 Y A -0.5374
119 N A 0.0000
120 K A -2.0809
121 D A -2.3594
122 L A -1.4558
123 L A 0.0000
124 P A -1.5539
125 N A -1.9184
126 P A -1.1704
127 P A -1.3875
128 K A -2.1125
129 T A -1.7890
130 W A 0.0000
131 E A -1.6926
132 E A -1.2998
133 I A 0.0000
134 P A -1.4466
135 A A -1.1969
136 L A -1.3572
137 D A 0.0000
138 K A -3.3189
139 E A -3.3270
140 L A 0.0000
141 K A -3.0061
142 A A -2.4452
143 K A -2.9289
144 G A -2.5528
145 K A -2.5778
146 S A -1.7503
147 A A 0.0000
148 L A 0.0000
149 M A -0.1352
150 F A 0.0000
151 N A -0.6051
152 L A 0.0000
153 Q A -1.1456
154 E A -0.5265
155 P A 0.0000
156 Y A -0.0916
157 F A 0.0000
158 T A 0.0000
159 W A 0.0000
160 P A 0.0000
161 L A 0.0000
162 I A 0.0000
163 A A 0.0000
164 A A 0.0000
165 D A -1.6867
166 G A -0.8330
167 G A 0.0000
168 Y A -0.2934
169 A A 0.0000
170 F A 0.0000
171 K A -1.5520
172 Y A -1.5959
173 E A -2.8978
174 N A -2.6351
175 G A -2.5402
176 K A -2.7370
177 Y A -1.7032
178 D A -2.0587
179 I A -0.8108
180 K A -1.3882
181 D A -1.3557
182 V A -0.5911
183 G A 0.0000
184 V A 0.0000
185 D A -0.6056
186 N A -0.6576
187 A A -0.5362
188 G A 0.0000
189 A A 0.0000
190 K A -0.6553
191 A A -0.4642
192 G A 0.0000
193 L A 0.0000
194 T A -0.2824
195 F A -0.4018
196 L A 0.0000
197 V A -1.0881
198 D A -2.0424
199 L A 0.0000
200 I A 0.0000
201 K A -3.2028
202 N A -2.8069
203 K A -3.2321
204 H A 0.0000
205 M A 0.0000
206 N A -2.5912
207 A A -2.0113
208 D A -2.2197
209 T A 0.0000
210 D A -0.8496
211 Y A 0.1984
212 S A 0.3298
213 I A 0.8340
214 A A 0.0000
215 E A -0.4201
216 A A -0.6154
217 A A 0.0000
218 F A 0.0000
219 N A -2.1217
220 K A -2.5717
221 G A -2.2464
222 E A -2.4702
223 T A 0.0000
224 A A 0.0000
225 M A 0.0000
226 T A 0.0000
227 I A 0.0000
228 N A 0.0000
229 G A 0.0000
230 P A -0.0223
231 W A 0.1845
232 A A 0.0000
233 W A 0.0000
234 S A -1.1068
235 N A -1.9017
236 I A 0.0000
237 D A -2.3133
238 T A -1.6659
239 S A -2.0783
240 K A -2.6659
241 V A -2.2009
242 N A -2.0755
243 Y A -1.2609
244 G A 0.0000
245 V A 0.0000
246 T A -0.2348
247 V A -0.2191
248 L A 0.0000
249 P A 0.0000
250 T A -1.4619
251 F A 0.0000
252 K A -2.4765
253 G A -2.0229
254 Q A -1.8259
255 P A -1.2655
256 S A 0.0000
257 K A -1.1121
258 P A 0.0000
259 F A 0.0000
260 V A 0.0000
261 G A -0.4345
262 V A 0.0000
263 L A 0.0000
264 S A 0.0000
265 A A 0.0000
266 G A 0.0000
267 I A 0.0000
268 N A 0.0000
269 A A -0.5177
270 A A -0.3034
271 S A 0.0000
272 P A -1.5035
273 N A 0.0000
274 K A -1.8155
275 E A -2.4264
276 L A -1.6428
277 A A 0.0000
278 K A -2.0684
279 E A -2.0989
280 F A 0.0000
281 L A 0.0000
282 E A -1.3056
283 N A -1.7033
284 Y A -1.4118
285 L A 0.0000
286 L A 0.0000
287 T A -1.6982
288 D A -2.3996
289 E A -2.6043
290 G A 0.0000
291 L A 0.0000
292 E A -2.5194
293 A A -2.4213
294 V A 0.0000
295 N A -2.0230
296 K A -2.6963
297 D A -2.4378
298 K A -2.1475
299 P A -1.2084
300 L A -0.6763
301 G A 0.0000
302 A A 0.0000
303 V A 0.0000
304 A A 0.0000
305 L A 0.0000
306 K A -1.8612
307 S A -1.7588
308 Y A 0.0000
309 E A 0.0000
310 E A -3.1957
311 E A -3.3780
312 L A -2.1542
313 A A -2.1098
314 K A -2.8167
315 D A -1.8339
316 P A -1.0539
317 R A -0.9146
318 I A -0.9294
319 A A -1.0805
320 A A 0.0000
321 T A 0.0000
322 M A 0.0000
323 E A -1.8149
324 N A 0.0000
325 A A 0.0000
326 Q A -2.0547
327 K A -1.9300
328 G A -1.4393
329 E A -1.0547
330 I A -0.5285
331 M A -0.2250
332 P A 0.0000
333 N A 0.0000
334 I A 0.0000
335 P A -0.9979
336 Q A -0.4502
337 M A 0.0000
338 S A -0.0626
339 A A 0.0612
340 F A 0.0000
341 W A 0.4583
342 Y A 1.0642
343 A A 0.0000
344 V A 0.0000
345 R A -0.2589
346 T A -0.0568
347 A A 0.0000
348 V A 0.0000
349 I A -0.4867
350 N A 0.0000
351 A A 0.0000
352 A A 0.0000
353 S A -1.5411
354 G A -1.6413
355 R A -2.1841
356 Q A -1.4577
357 T A -0.9069
358 V A -0.6490
359 D A -1.4752
360 A A -1.2599
361 A A 0.0000
362 L A 0.0000
363 Y A -1.1285
364 E A -1.2789
365 E A 0.0000
366 V A 0.0000
367 E A -0.8024
368 Y A -0.5203
369 Y A -0.6511
370 Y A -0.9231
371 Q A -1.3471
372 R A -1.8234
373 A A 0.0000
374 L A -0.9039
375 G A -1.0907
376 I A -0.2497
377 Y A -0.6039
378 Q A -0.9332
379 T A -0.6953
380 K A -1.2506
381 L A -0.2127
382 G A -0.8206
383 P A -1.3047
384 D A -1.7654
385 D A -1.3264
386 P A -1.1558
387 N A -1.3238
388 V A 0.0000
389 A A -1.5187
390 K A -2.0925
391 T A 0.0000
392 K A -1.1523
393 N A -1.2328
394 N A -1.0140
395 L A 0.0000
396 A A 0.0000
397 S A -0.5601
398 C A 0.0000
399 Y A 0.0000
400 L A -0.5658
401 K A -1.5442
402 Q A -1.2912
403 G A -0.8549
404 K A -1.0589
405 F A -0.0976
406 K A -1.8460
407 Q A -1.4734
408 A A 0.0000
409 E A -2.5547
410 T A -2.0535
411 L A -1.6097
412 Y A -1.4078
413 K A -2.3018
414 E A -2.2878
415 I A -1.3238
416 L A -0.4785
417 T A -1.7580
418 R A -3.0556
419 A A -2.3527
420 H A -2.5636
421 E A -3.1816
422 R A -3.6497
423 E A -2.8272
424 F A -0.4547
425 G A -1.4640
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Automated mutations analysis

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine. The table below shows 2 best scored mutants for each mutated residue. Protein variants are ordered according to the mutation effect they had on protein stability (energetic effect) together with the difference in the average per-residue aggregation score between the wild type and the mutant (in the table green values indicate a positive change, grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this CSV file.

Mutant
Energetic effect
Score comparison
FR405A -0.58 -0.0251 View CSV PDB
FK405A -0.6405 -0.0194 View CSV PDB
 

Laboratory of Theory of Biopolymers 2018