| Chain sequence(s) |
B: YEHVTVIPNTVGVPYKTLVNRPGYSPMVLEMELLSVTLEPTLSLDYITCEYKTVVPSPYVKCCGTAECKDKNLPDYSCKVFTGVYPFMWGGAYCFCDAENTQLSEAHVEKSESCKTEFASAYRAHTASASAKLRVLYQGNNITVTAYANGDHAVTVKDAKFIVGPMSSAWTPFDNKIVVYKGDVYNMDYPPFGAGRPGQFGDIQSRTPESEDVYANTQLVLQRPAAGTVHVPYSQAPSGFKYWLKERGASLQHTAPFGCQIATNPVRAVNCAVGNMPISIDIPEAAFTRVVDAPSLTDMSCEVPACTHSSDFGGVAIIKYAASKKGKCAVHSMTNAVTIREAEIEVEGNSQLQISFSTALASAEFRVQVCSTQVHCAAECHPPKDHIVNYPASHTTLGVQDISATAMSWVQKITGGVGLVVAVAALILIVVLCVSFSRH
input PDB |
| Selected Chain(s) | B |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with B chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:25)
[INFO] Auto_mut: Residue number 430 from chain B and a score of 5.640 (valine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 427 from chain B and a score of 5.452 (isoleucine) selected
for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 429 from chain B and a score of 5.276 (isoleucine) selected
for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 428 from chain B and a score of 5.186 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 431 from chain B and a score of 5.174 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 426 from chain B and a score of 5.051 (leucine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 432 from chain B and a score of 4.404 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 423 from chain B and a score of 4.333 (valine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 420 from chain B and a score of 4.320 (valine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 421 from chain B and a score of 4.223 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 433 from chain B and a score of 4.024 (cysteine) selected
for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 425 from chain B and a score of 3.856 (alanine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 424 from chain B and a score of 3.681 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 419 from chain B and a score of 3.614 (leucine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 422 from chain B and a score of 3.572 (alanine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 434 from chain B and a score of 3.513 (valine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 417 from chain B and a score of 2.998 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 418 from chain B and a score of 2.388 (glycine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 436 from chain B and a score of 2.333 (phenylalanine)
selected for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 87 from chain B and a score of 2.212 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 93 from chain B and a score of 2.094 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 435 from chain B and a score of 2.060 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 6 from chain B and a score of 1.959 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 95 from chain B and a score of 1.910 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 88 from chain B and a score of 1.756 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 5 from chain B and a score of 1.693 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 4 from chain B and a score of 1.581 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 89 from chain B and a score of 1.522 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 92 from chain B and a score of 1.480 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 416 from chain B and a score of 1.361 (glycine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 399 from chain B and a score of 1.092 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 387 from chain B and a score of 1.084 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 413 from chain B and a score of 0.968 (isoleucine) selected
for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 220 from chain B and a score of 0.945 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 409 from chain B and a score of 0.876 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 291 from chain B and a score of 0.867 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 277 from chain B and a score of 0.865 (proline) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 59 from chain B and a score of 0.853 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 229 from chain B and a score of 0.834 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 397 from chain B and a score of 0.834 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 91 from chain B and a score of 0.735 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 257 from chain B and a score of 0.709 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 388 from chain B and a score of 0.696 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 227 from chain B and a score of 0.684 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 437 from chain B and a score of 0.608 (serine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 414 from chain B and a score of 0.592 (threonine) selected
for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 407 from chain B and a score of 0.577 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 233 from chain B and a score of 0.559 (tyrosine) selected
for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 410 from chain B and a score of 0.536 (valine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 228 from chain B and a score of 0.535 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 55 from chain B and a score of 0.512 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 90 from chain B and a score of 0.501 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 62 from chain B and a score of 0.497 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 398 from chain B and a score of 0.477 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 396 from chain B and a score of 0.439 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 415 from chain B and a score of 0.403 (glycine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 406 from chain B and a score of 0.390 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 279 from chain B and a score of 0.386 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 85 from chain B and a score of 0.385 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 290 from chain B and a score of 0.384 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 147 from chain B and a score of 0.316 (tyrosine) selected
for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 58 from chain B and a score of 0.313 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 170 from chain B and a score of 0.307 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 272 from chain B and a score of 0.279 (alanine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 192 from chain B and a score of 0.250 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 63 from chain B and a score of 0.223 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 56 from chain B and a score of 0.205 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 96 from chain B and a score of 0.199 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 234 from chain B and a score of 0.199 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 273 from chain B and a score of 0.176 (valine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 359 from chain B and a score of 0.152 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 169 from chain B and a score of 0.125 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 54 from chain B and a score of 0.114 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 57 from chain B and a score of 0.099 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 408 from chain B and a score of 0.077 (serine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 226 from chain B and a score of 0.047 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 390 from chain B and a score of 0.043 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 7 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 9 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 13 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 19 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 60 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 66 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 81 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 84 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 86 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 94 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 100 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 101 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 102 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 103 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 104 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 106 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 107 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 108 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 114 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 119 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 120 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 121 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 124 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 131 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 133 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 135 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 137 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 142 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 144 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 148 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 159 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 161 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 172 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 173 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 184 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 185 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 189 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 195 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 200 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 201 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 202 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 203 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 204 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 205 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 215 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 221 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 224 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 239 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 240 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 243 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 250 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 251 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 259 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 266 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 268 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 282 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 293 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 294 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 296 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 306 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 314 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 316 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 318 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 320 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 328 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 336 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 346 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 352 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 354 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 356 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 357 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 358 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 360 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 363 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 365 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 367 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 370 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 374 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 376 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 380 from chain B and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 8 from chain B and a score of -0.019 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 315 from chain B and a score of -0.049 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 11 from chain B and a score of -0.057 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 162 from chain B and a score of -0.058 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 44 from chain B and a score of -0.060 (leucine) selected for
automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 10 from chain B and a score of -0.062 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 232 from chain B and a score of -0.078 (proline) selected
for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 130 from chain B and a score of -0.090 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 18 from chain B and a score of -0.098 omitted from automated
muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 145 from chain B and a score of -0.125 (threonine) selected
for automated muatation (00:02:27)
[INFO] Auto_mut: Residue number 168 from chain B and a score of -0.133 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 402 from chain B and a score of -0.136 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 389 from chain B and a score of -0.160 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 154 from chain B and a score of -0.169 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 256 from chain B and a score of -0.177 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 167 from chain B and a score of -0.182 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Residue number 193 from chain B and a score of -0.189 omitted from
automated muatation (excluded by the user). (00:02:27)
[INFO] Auto_mut: Mutating residue number 430 from chain B (valine) into glutamic acid (00:02:27)
[INFO] Auto_mut: Mutating residue number 429 from chain B (isoleucine) into aspartic acid (00:02:27)
[INFO] Auto_mut: Mutating residue number 420 from chain B (valine) into glutamic acid (00:02:27)
[INFO] Auto_mut: Mutating residue number 420 from chain B (valine) into lysine (00:03:52)
[INFO] Auto_mut: Mutating residue number 430 from chain B (valine) into lysine (00:03:52)
[INFO] Auto_mut: Mutating residue number 429 from chain B (isoleucine) into arginine (00:04:00)
[INFO] Auto_mut: Mutating residue number 420 from chain B (valine) into aspartic acid (00:05:19)
[INFO] Auto_mut: Mutating residue number 430 from chain B (valine) into aspartic acid (00:05:26)
[INFO] Auto_mut: Mutating residue number 426 from chain B (leucine) into glutamic acid (00:05:30)
[INFO] Auto_mut: Mutating residue number 420 from chain B (valine) into arginine (00:06:43)
[INFO] Auto_mut: Mutating residue number 430 from chain B (valine) into arginine (00:06:50)
[INFO] Auto_mut: Mutating residue number 426 from chain B (leucine) into lysine (00:07:04)
[INFO] Auto_mut: Mutating residue number 433 from chain B (cysteine) into glutamic acid (00:08:09)
[INFO] Auto_mut: Mutating residue number 427 from chain B (isoleucine) into glutamic acid (00:08:18)
[INFO] Auto_mut: Mutating residue number 426 from chain B (leucine) into aspartic acid (00:08:40)
[INFO] Auto_mut: Mutating residue number 433 from chain B (cysteine) into lysine (00:09:35)
[INFO] Auto_mut: Mutating residue number 427 from chain B (isoleucine) into lysine (00:09:47)
[INFO] Auto_mut: Mutating residue number 426 from chain B (leucine) into arginine (00:10:09)
[INFO] Auto_mut: Mutating residue number 433 from chain B (cysteine) into aspartic acid (00:11:05)
[INFO] Auto_mut: Mutating residue number 427 from chain B (isoleucine) into aspartic acid (00:11:21)
[INFO] Auto_mut: Mutating residue number 423 from chain B (valine) into glutamic acid (00:11:44)
[INFO] Auto_mut: Mutating residue number 433 from chain B (cysteine) into arginine (00:12:30)
[INFO] Auto_mut: Mutating residue number 427 from chain B (isoleucine) into arginine (00:12:49)
[INFO] Auto_mut: Mutating residue number 423 from chain B (valine) into lysine (00:13:10)
[INFO] Auto_mut: Mutating residue number 425 from chain B (alanine) into glutamic acid (00:13:58)
[INFO] Auto_mut: Mutating residue number 429 from chain B (isoleucine) into glutamic acid (00:14:19)
[INFO] Auto_mut: Mutating residue number 423 from chain B (valine) into aspartic acid (00:14:47)
[INFO] Auto_mut: Mutating residue number 425 from chain B (alanine) into lysine (00:15:25)
[INFO] Auto_mut: Mutating residue number 429 from chain B (isoleucine) into lysine (00:15:49)
[INFO] Auto_mut: Mutating residue number 423 from chain B (valine) into arginine (00:16:14)
[INFO] Auto_mut: Mutating residue number 425 from chain B (alanine) into aspartic acid (00:16:55)
[INFO] Auto_mut: Mutating residue number 434 from chain B (valine) into glutamic acid (00:17:22)
[INFO] Auto_mut: Mutating residue number 436 from chain B (phenylalanine) into aspartic acid
Mutating residue number 436 from chain B (phenylalanine) into aspartic acid (00:17:48)
[INFO] Auto_mut: Mutating residue number 425 from chain B (alanine) into arginine (00:18:20)
[INFO] Auto_mut: Mutating residue number 434 from chain B (valine) into lysine (00:18:46)
[INFO] Auto_mut: Mutating residue number 436 from chain B (phenylalanine) into arginine (00:19:14)
[INFO] Auto_mut: Mutating residue number 419 from chain B (leucine) into glutamic acid (00:19:51)
[INFO] Auto_mut: Mutating residue number 434 from chain B (valine) into aspartic acid (00:20:18)
[INFO] Auto_mut: Mutating residue number 416 from chain B (glycine) into glutamic acid (00:20:44)
[INFO] Auto_mut: Mutating residue number 419 from chain B (leucine) into lysine (00:21:18)
[INFO] Auto_mut: Mutating residue number 434 from chain B (valine) into arginine (00:21:43)
[INFO] Auto_mut: Mutating residue number 416 from chain B (glycine) into lysine (00:22:11)
[INFO] Auto_mut: Mutating residue number 419 from chain B (leucine) into aspartic acid (00:22:48)
[INFO] Auto_mut: Mutating residue number 418 from chain B (glycine) into glutamic acid (00:23:11)
[INFO] Auto_mut: Mutating residue number 416 from chain B (glycine) into aspartic acid (00:23:43)
[INFO] Auto_mut: Mutating residue number 419 from chain B (leucine) into arginine (00:24:11)
[INFO] Auto_mut: Mutating residue number 418 from chain B (glycine) into lysine (00:24:37)
[INFO] Auto_mut: Mutating residue number 416 from chain B (glycine) into arginine (00:25:06)
[INFO] Auto_mut: Mutating residue number 422 from chain B (alanine) into glutamic acid (00:25:40)
[INFO] Auto_mut: Mutating residue number 418 from chain B (glycine) into aspartic acid (00:26:10)
[INFO] Auto_mut: Mutating residue number 413 from chain B (isoleucine) into glutamic acid (00:26:37)
[INFO] Auto_mut: Mutating residue number 422 from chain B (alanine) into lysine (00:27:08)
[INFO] Auto_mut: Mutating residue number 418 from chain B (glycine) into arginine (00:27:34)
[INFO] Auto_mut: Mutating residue number 413 from chain B (isoleucine) into lysine (00:28:03)
[INFO] Auto_mut: Mutating residue number 422 from chain B (alanine) into aspartic acid (00:28:40)
[INFO] Auto_mut: Mutating residue number 436 from chain B (phenylalanine) into glutamic acid
Mutating residue number 436 from chain B (phenylalanine) into glutamic acid (00:29:02)
[INFO] Auto_mut: Mutating residue number 413 from chain B (isoleucine) into aspartic acid (00:29:34)
[INFO] Auto_mut: Mutating residue number 422 from chain B (alanine) into arginine (00:30:07)
[INFO] Auto_mut: Mutating residue number 436 from chain B (phenylalanine) into lysine (00:30:27)
[INFO] Auto_mut: Mutating residue number 413 from chain B (isoleucine) into arginine (00:31:01)
[INFO] Auto_mut: Mutating residue number 277 from chain B (proline) into glutamic acid (00:31:33)
[INFO] Auto_mut: Mutating residue number 414 from chain B (threonine) into aspartic acid (00:31:59)
[INFO] Auto_mut: Mutating residue number 415 from chain B (glycine) into glutamic acid (00:32:29)
[INFO] Auto_mut: Mutating residue number 277 from chain B (proline) into lysine (00:33:00)
[INFO] Auto_mut: Mutating residue number 414 from chain B (threonine) into arginine (00:33:24)
[INFO] Auto_mut: Mutating residue number 415 from chain B (glycine) into lysine (00:33:52)
[INFO] Auto_mut: Mutating residue number 277 from chain B (proline) into aspartic acid (00:34:40)
[INFO] Auto_mut: Mutating residue number 233 from chain B (tyrosine) into glutamic acid (00:35:01)
[INFO] Auto_mut: Mutating residue number 415 from chain B (glycine) into aspartic acid (00:35:19)
[INFO] Auto_mut: Mutating residue number 277 from chain B (proline) into arginine (00:36:08)
[INFO] Auto_mut: Mutating residue number 233 from chain B (tyrosine) into lysine (00:36:25)
[INFO] Auto_mut: Mutating residue number 415 from chain B (glycine) into arginine (00:36:41)
[INFO] Auto_mut: Mutating residue number 437 from chain B (serine) into glutamic acid (00:37:39)
[INFO] Auto_mut: Mutating residue number 233 from chain B (tyrosine) into aspartic acid (00:37:56)
[INFO] Auto_mut: Mutating residue number 147 from chain B (tyrosine) into glutamic acid (00:38:08)
[INFO] Auto_mut: Mutating residue number 437 from chain B (serine) into lysine (00:39:04)
[INFO] Auto_mut: Mutating residue number 233 from chain B (tyrosine) into arginine (00:39:20)
[INFO] Auto_mut: Mutating residue number 147 from chain B (tyrosine) into lysine (00:39:38)
[INFO] Auto_mut: Mutating residue number 437 from chain B (serine) into aspartic acid (00:40:33)
[INFO] Auto_mut: Mutating residue number 410 from chain B (valine) into glutamic acid (00:40:45)
[INFO] Auto_mut: Mutating residue number 147 from chain B (tyrosine) into aspartic acid (00:41:22)
[INFO] Auto_mut: Mutating residue number 437 from chain B (serine) into arginine (00:41:56)
[INFO] Auto_mut: Mutating residue number 410 from chain B (valine) into lysine (00:42:12)
[INFO] Auto_mut: Mutating residue number 147 from chain B (tyrosine) into arginine (00:42:50)
[INFO] Auto_mut: Mutating residue number 414 from chain B (threonine) into glutamic acid (00:43:21)
[INFO] Auto_mut: Mutating residue number 410 from chain B (valine) into aspartic acid (00:43:45)
[INFO] Auto_mut: Mutating residue number 272 from chain B (alanine) into glutamic acid (00:44:18)
[INFO] Auto_mut: Mutating residue number 414 from chain B (threonine) into lysine (00:44:50)
[INFO] Auto_mut: Mutating residue number 410 from chain B (valine) into arginine (00:45:13)
[INFO] Auto_mut: Mutating residue number 272 from chain B (alanine) into lysine (00:45:42)
[INFO] Auto_mut: Mutating residue number 272 from chain B (alanine) into aspartic acid (00:46:24)
[INFO] Auto_mut: Mutating residue number 44 from chain B (leucine) into glutamic acid (00:46:41)
[INFO] Auto_mut: Mutating residue number 145 from chain B (threonine) into aspartic acid (00:47:15)
[INFO] Auto_mut: Mutating residue number 272 from chain B (alanine) into arginine (00:47:47)
[INFO] Auto_mut: Mutating residue number 44 from chain B (leucine) into lysine (00:48:11)
[INFO] Auto_mut: Mutating residue number 145 from chain B (threonine) into arginine (00:48:51)
[INFO] Auto_mut: Mutating residue number 273 from chain B (valine) into glutamic acid (00:49:17)
[INFO] Auto_mut: Mutating residue number 44 from chain B (leucine) into aspartic acid (00:49:39)
[INFO] Auto_mut: Mutating residue number 273 from chain B (valine) into lysine (00:50:41)
[INFO] Auto_mut: Mutating residue number 44 from chain B (leucine) into arginine (00:51:04)
[INFO] Auto_mut: Mutating residue number 273 from chain B (valine) into aspartic acid (00:52:06)
[INFO] Auto_mut: Mutating residue number 232 from chain B (proline) into glutamic acid (00:52:28)
[INFO] Auto_mut: Mutating residue number 273 from chain B (valine) into arginine (00:53:27)
[INFO] Auto_mut: Mutating residue number 232 from chain B (proline) into lysine (00:53:48)
[INFO] Auto_mut: Mutating residue number 408 from chain B (serine) into glutamic acid (00:54:48)
[INFO] Auto_mut: Mutating residue number 232 from chain B (proline) into aspartic acid (00:55:14)
[INFO] Auto_mut: Mutating residue number 408 from chain B (serine) into lysine (00:56:12)
[INFO] Auto_mut: Mutating residue number 232 from chain B (proline) into arginine (00:56:35)
[INFO] Auto_mut: Mutating residue number 408 from chain B (serine) into aspartic acid (00:57:41)
[INFO] Auto_mut: Mutating residue number 145 from chain B (threonine) into glutamic acid (00:57:58)
[INFO] Auto_mut: Mutating residue number 408 from chain B (serine) into arginine (00:59:00)
[INFO] Auto_mut: Mutating residue number 145 from chain B (threonine) into lysine (00:59:29)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain B (valine) into glutamic
acid: Energy difference: 0.4543 kcal/mol, Difference in average score from
the base case: -0.0178 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain B (valine) into lysine:
Energy difference: 0.1984 kcal/mol, Difference in average score from the
base case: -0.0152 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain B (valine) into aspartic
acid: Energy difference: 1.0972 kcal/mol, Difference in average score from
the base case: -0.0127 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain B (valine) into arginine:
Energy difference: 0.3353 kcal/mol, Difference in average score from the
base case: -0.0168 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain B (isoleucine) into
glutamic acid: Energy difference: 0.4704 kcal/mol, Difference in average
score from the base case: -0.0241 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain B (isoleucine) into
lysine: Energy difference: 0.1827 kcal/mol, Difference in average score
from the base case: -0.0252 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain B (isoleucine) into
aspartic acid: Energy difference: 0.8949 kcal/mol, Difference in average
score from the base case: -0.0125 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain B (isoleucine) into
arginine: Energy difference: 0.3332 kcal/mol, Difference in average score
from the base case: -0.0296 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 429 from chain B (isoleucine) into
glutamic acid: Energy difference: 1.2296 kcal/mol, Difference in average
score from the base case: -0.0247 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 429 from chain B (isoleucine) into
lysine: Energy difference: 0.6473 kcal/mol, Difference in average score
from the base case: -0.0231 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 429 from chain B (isoleucine) into
aspartic acid: Energy difference: 1.9825 kcal/mol, Difference in average
score from the base case: -0.0223 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 429 from chain B (isoleucine) into
arginine: Energy difference: 0.9825 kcal/mol, Difference in average score
from the base case: -0.0278 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 426 from chain B (leucine) into glutamic
acid: Energy difference: 0.5849 kcal/mol, Difference in average score from
the base case: -0.0219 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 426 from chain B (leucine) into lysine:
Energy difference: 0.2582 kcal/mol, Difference in average score from the
base case: -0.0258 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 426 from chain B (leucine) into aspartic
acid: Energy difference: 1.3123 kcal/mol, Difference in average score from
the base case: -0.0201 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 426 from chain B (leucine) into arginine:
Energy difference: 0.2545 kcal/mol, Difference in average score from the
base case: -0.0186 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 423 from chain B (valine) into glutamic
acid: Energy difference: -0.0973 kcal/mol, Difference in average score from
the base case: -0.0251 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 423 from chain B (valine) into lysine:
Energy difference: -0.6584 kcal/mol, Difference in average score from the
base case: -0.0212 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 423 from chain B (valine) into aspartic
acid: Energy difference: 0.4657 kcal/mol, Difference in average score from
the base case: -0.0270 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 423 from chain B (valine) into arginine:
Energy difference: -0.1646 kcal/mol, Difference in average score from the
base case: -0.0259 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 420 from chain B (valine) into glutamic
acid: Energy difference: -0.2934 kcal/mol, Difference in average score from
the base case: -0.0299 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 420 from chain B (valine) into lysine:
Energy difference: -0.5419 kcal/mol, Difference in average score from the
base case: -0.0273 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 420 from chain B (valine) into aspartic
acid: Energy difference: 0.0282 kcal/mol, Difference in average score from
the base case: -0.0318 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 420 from chain B (valine) into arginine:
Energy difference: -0.7570 kcal/mol, Difference in average score from the
base case: -0.0281 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 433 from chain B (cysteine) into glutamic
acid: Energy difference: -0.6180 kcal/mol, Difference in average score from
the base case: -0.0186 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 433 from chain B (cysteine) into lysine:
Energy difference: -1.0668 kcal/mol, Difference in average score from the
base case: -0.0207 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 433 from chain B (cysteine) into aspartic
acid: Energy difference: -0.2308 kcal/mol, Difference in average score from
the base case: -0.0183 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 433 from chain B (cysteine) into
arginine: Energy difference: -1.3464 kcal/mol, Difference in average score
from the base case: -0.0241 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 425 from chain B (alanine) into glutamic
acid: Energy difference: -0.0769 kcal/mol, Difference in average score from
the base case: -0.0150 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 425 from chain B (alanine) into lysine:
Energy difference: -0.5957 kcal/mol, Difference in average score from the
base case: -0.0184 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 425 from chain B (alanine) into aspartic
acid: Energy difference: 0.4694 kcal/mol, Difference in average score from
the base case: -0.0162 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 425 from chain B (alanine) into arginine:
Energy difference: -0.1998 kcal/mol, Difference in average score from the
base case: -0.0185 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 419 from chain B (leucine) into glutamic
acid: Energy difference: 0.1981 kcal/mol, Difference in average score from
the base case: -0.0293 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 419 from chain B (leucine) into lysine:
Energy difference: -0.0304 kcal/mol, Difference in average score from the
base case: -0.0300 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 419 from chain B (leucine) into aspartic
acid: Energy difference: 0.5736 kcal/mol, Difference in average score from
the base case: -0.0262 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 419 from chain B (leucine) into arginine:
Energy difference: -0.0695 kcal/mol, Difference in average score from the
base case: -0.0227 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 422 from chain B (alanine) into glutamic
acid: Energy difference: -0.0597 kcal/mol, Difference in average score from
the base case: -0.0062 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 422 from chain B (alanine) into lysine:
Energy difference: -0.4853 kcal/mol, Difference in average score from the
base case: -0.0057 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 422 from chain B (alanine) into aspartic
acid: Energy difference: 0.2952 kcal/mol, Difference in average score from
the base case: -0.0104 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 422 from chain B (alanine) into arginine:
Energy difference: -0.4098 kcal/mol, Difference in average score from the
base case: -0.0116 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 434 from chain B (valine) into glutamic
acid: Energy difference: -0.3605 kcal/mol, Difference in average score from
the base case: -0.0316 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 434 from chain B (valine) into lysine:
Energy difference: -0.6891 kcal/mol, Difference in average score from the
base case: -0.0308 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 434 from chain B (valine) into aspartic
acid: Energy difference: 0.1511 kcal/mol, Difference in average score from
the base case: -0.0285 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 434 from chain B (valine) into arginine:
Energy difference: -1.0197 kcal/mol, Difference in average score from the
base case: -0.0325 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 418 from chain B (glycine) into glutamic
acid: Energy difference: -1.1701 kcal/mol, Difference in average score from
the base case: -0.0080 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 418 from chain B (glycine) into lysine:
Energy difference: -0.9612 kcal/mol, Difference in average score from the
base case: -0.0070 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 418 from chain B (glycine) into aspartic
acid: Energy difference: -0.3338 kcal/mol, Difference in average score from
the base case: -0.0082 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 418 from chain B (glycine) into arginine:
Energy difference: -0.7212 kcal/mol, Difference in average score from the
base case: -0.0084 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 436 from chain B (phenylalanine) into
glutamic acid: Energy difference: 0.3949 kcal/mol, Difference in average
score from the base case: -0.0243 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 436 from chain B (phenylalanine) into
lysine: Energy difference: -0.0443 kcal/mol, Difference in average score
from the base case: -0.0253 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 436 from chain B (phenylalanine) into
aspartic acid: Energy difference: 0.9409 kcal/mol, Difference in average
score from the base case: -0.0218 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 436 from chain B (phenylalanine) into
arginine: Energy difference: 0.0711 kcal/mol, Difference in average score
from the base case: -0.0286 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 416 from chain B (glycine) into glutamic
acid: Energy difference: -0.7792 kcal/mol, Difference in average score from
the base case: -0.0130 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 416 from chain B (glycine) into lysine:
Energy difference: -1.0266 kcal/mol, Difference in average score from the
base case: -0.0131 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 416 from chain B (glycine) into aspartic
acid: Energy difference: -0.4596 kcal/mol, Difference in average score from
the base case: -0.0118 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 416 from chain B (glycine) into arginine:
Energy difference: -0.8566 kcal/mol, Difference in average score from the
base case: -0.0237 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 413 from chain B (isoleucine) into
glutamic acid: Energy difference: 1.2496 kcal/mol, Difference in average
score from the base case: -0.0265 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 413 from chain B (isoleucine) into
lysine: Energy difference: 0.5987 kcal/mol, Difference in average score
from the base case: -0.0199 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 413 from chain B (isoleucine) into
aspartic acid: Energy difference: 1.7352 kcal/mol, Difference in average
score from the base case: -0.0261 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 413 from chain B (isoleucine) into
arginine: Energy difference: 1.2547 kcal/mol, Difference in average score
from the base case: -0.0244 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 277 from chain B (proline) into glutamic
acid: Energy difference: 2.5266 kcal/mol, Difference in average score from
the base case: -0.0113 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 277 from chain B (proline) into lysine:
Energy difference: 1.8816 kcal/mol, Difference in average score from the
base case: -0.0063 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 277 from chain B (proline) into aspartic
acid: Energy difference: 3.2094 kcal/mol, Difference in average score from
the base case: -0.0026 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 277 from chain B (proline) into arginine:
Energy difference: 1.8609 kcal/mol, Difference in average score from the
base case: -0.0031 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 437 from chain B (serine) into glutamic
acid: Energy difference: 0.1665 kcal/mol, Difference in average score from
the base case: -0.0105 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 437 from chain B (serine) into lysine:
Energy difference: -0.6500 kcal/mol, Difference in average score from the
base case: -0.0121 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 437 from chain B (serine) into aspartic
acid: Energy difference: 0.8502 kcal/mol, Difference in average score from
the base case: -0.0071 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 437 from chain B (serine) into arginine:
Energy difference: -0.5481 kcal/mol, Difference in average score from the
base case: -0.0113 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 414 from chain B (threonine) into
glutamic acid: Energy difference: -0.6589 kcal/mol, Difference in average
score from the base case: -0.0183 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 414 from chain B (threonine) into lysine:
Energy difference: -1.0113 kcal/mol, Difference in average score from the
base case: -0.0164 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 414 from chain B (threonine) into
aspartic acid: Energy difference: -0.1978 kcal/mol, Difference in average
score from the base case: -0.0165 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 414 from chain B (threonine) into
arginine: Energy difference: -0.7695 kcal/mol, Difference in average score
from the base case: -0.0207 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 233 from chain B (tyrosine) into glutamic
acid: Energy difference: 2.3187 kcal/mol, Difference in average score from
the base case: -0.0144 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 233 from chain B (tyrosine) into lysine:
Energy difference: 0.8541 kcal/mol, Difference in average score from the
base case: -0.0119 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 233 from chain B (tyrosine) into aspartic
acid: Energy difference: 3.0456 kcal/mol, Difference in average score from
the base case: -0.0091 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 233 from chain B (tyrosine) into
arginine: Energy difference: 0.5771 kcal/mol, Difference in average score
from the base case: -0.0121 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 410 from chain B (valine) into glutamic
acid: Energy difference: 0.3953 kcal/mol, Difference in average score from
the base case: -0.0170 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 410 from chain B (valine) into lysine:
Energy difference: 0.1595 kcal/mol, Difference in average score from the
base case: -0.0126 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 410 from chain B (valine) into aspartic
acid: Energy difference: 1.1171 kcal/mol, Difference in average score from
the base case: -0.0171 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 410 from chain B (valine) into arginine:
Energy difference: 0.4945 kcal/mol, Difference in average score from the
base case: -0.0215 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 415 from chain B (glycine) into glutamic
acid: Energy difference: -0.8038 kcal/mol, Difference in average score from
the base case: -0.0082 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 415 from chain B (glycine) into lysine:
Energy difference: -0.7706 kcal/mol, Difference in average score from the
base case: 0.0063 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 415 from chain B (glycine) into aspartic
acid: Energy difference: -0.4931 kcal/mol, Difference in average score from
the base case: -0.0107 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 415 from chain B (glycine) into arginine:
Energy difference: -0.5794 kcal/mol, Difference in average score from the
base case: -0.0135 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 147 from chain B (tyrosine) into glutamic
acid: Energy difference: 0.8938 kcal/mol, Difference in average score from
the base case: -0.0170 (01:01:06)
[INFO] Auto_mut: Effect of mutation residue number 147 from chain B (tyrosine) into lysine:
Energy difference: 0.0266 kcal/mol, Difference in average score from the
base case: -0.0182 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 147 from chain B (tyrosine) into aspartic
acid: Energy difference: 1.0889 kcal/mol, Difference in average score from
the base case: -0.0139 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 147 from chain B (tyrosine) into
arginine: Energy difference: 0.2587 kcal/mol, Difference in average score
from the base case: -0.0106 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 272 from chain B (alanine) into glutamic
acid: Energy difference: 0.0696 kcal/mol, Difference in average score from
the base case: -0.0148 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 272 from chain B (alanine) into lysine:
Energy difference: -0.4600 kcal/mol, Difference in average score from the
base case: -0.0090 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 272 from chain B (alanine) into aspartic
acid: Energy difference: -0.8800 kcal/mol, Difference in average score from
the base case: -0.0056 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 272 from chain B (alanine) into arginine:
Energy difference: -1.1576 kcal/mol, Difference in average score from the
base case: -0.0093 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 273 from chain B (valine) into glutamic
acid: Energy difference: 1.4597 kcal/mol, Difference in average score from
the base case: -0.0074 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 273 from chain B (valine) into lysine:
Energy difference: 1.0658 kcal/mol, Difference in average score from the
base case: -0.0046 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 273 from chain B (valine) into aspartic
acid: Energy difference: 1.3499 kcal/mol, Difference in average score from
the base case: -0.0006 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 273 from chain B (valine) into arginine:
Energy difference: 1.4133 kcal/mol, Difference in average score from the
base case: -0.0074 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain B (serine) into glutamic
acid: Energy difference: -0.3336 kcal/mol, Difference in average score from
the base case: -0.0019 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain B (serine) into lysine:
Energy difference: -0.3250 kcal/mol, Difference in average score from the
base case: -0.0145 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain B (serine) into aspartic
acid: Energy difference: -0.4675 kcal/mol, Difference in average score from
the base case: -0.0062 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain B (serine) into arginine:
Energy difference: -0.1421 kcal/mol, Difference in average score from the
base case: -0.0158 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 44 from chain B (leucine) into glutamic
acid: Energy difference: 1.9236 kcal/mol, Difference in average score from
the base case: -0.0096 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 44 from chain B (leucine) into lysine:
Energy difference: 1.0756 kcal/mol, Difference in average score from the
base case: -0.0042 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 44 from chain B (leucine) into aspartic
acid: Energy difference: 2.4337 kcal/mol, Difference in average score from
the base case: -0.0105 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 44 from chain B (leucine) into arginine:
Energy difference: 0.8839 kcal/mol, Difference in average score from the
base case: -0.0076 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 232 from chain B (proline) into glutamic
acid: Energy difference: 2.1457 kcal/mol, Difference in average score from
the base case: -0.0096 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 232 from chain B (proline) into lysine:
Energy difference: 1.8226 kcal/mol, Difference in average score from the
base case: -0.0020 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 232 from chain B (proline) into aspartic
acid: Energy difference: 2.4750 kcal/mol, Difference in average score from
the base case: -0.0080 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 232 from chain B (proline) into arginine:
Energy difference: 1.3765 kcal/mol, Difference in average score from the
base case: 0.0014 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 145 from chain B (threonine) into
glutamic acid: Energy difference: -0.2445 kcal/mol, Difference in average
score from the base case: -0.0117 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 145 from chain B (threonine) into lysine:
Energy difference: -0.3275 kcal/mol, Difference in average score from the
base case: -0.0085 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 145 from chain B (threonine) into
aspartic acid: Energy difference: 0.6588 kcal/mol, Difference in average
score from the base case: -0.0084 (01:01:07)
[INFO] Auto_mut: Effect of mutation residue number 145 from chain B (threonine) into
arginine: Energy difference: -0.1028 kcal/mol, Difference in average score
from the base case: -0.0061 (01:01:07)
[INFO] Main: Simulation completed successfully. (01:01:32)
|
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 | |
| 1 | Y | B | -1.4137 | |
| 2 | E | B | -2.2363 | |
| 3 | H | B | -0.5781 | |
| 4 | V | B | 1.5811 | |
| 5 | T | B | 1.6934 | |
| 6 | V | B | 1.9586 | |
| 7 | I | B | 0.0000 | |
| 8 | P | B | -0.0195 | |
| 9 | N | B | 0.0000 | |
| 10 | T | B | -0.0620 | |
| 11 | V | B | -0.0568 | |
| 12 | G | B | -0.3713 | |
| 13 | V | B | 0.0000 | |
| 14 | P | B | -0.5714 | |
| 15 | Y | B | -0.2584 | |
| 16 | K | B | -0.4513 | |
| 17 | T | B | 0.0000 | |
| 18 | L | B | -0.0984 | |
| 19 | V | B | 0.0000 | |
| 20 | N | B | -1.6744 | |
| 21 | R | B | -1.7712 | |
| 22 | P | B | -1.1713 | |
| 23 | G | B | -0.6629 | |
| 24 | Y | B | -0.8114 | |
| 25 | S | B | -0.4393 | |
| 26 | P | B | -0.6779 | |
| 27 | M | B | -0.5194 | |
| 28 | V | B | -0.4427 | |
| 29 | L | B | 0.0000 | |
| 30 | E | B | 0.0000 | |
| 31 | M | B | 0.0000 | |
| 32 | E | B | -0.6495 | |
| 33 | L | B | 0.0000 | |
| 34 | L | B | -0.2626 | |
| 35 | S | B | -0.3249 | |
| 36 | V | B | 0.0000 | |
| 37 | T | B | -0.6138 | |
| 38 | L | B | 0.0000 | |
| 39 | E | B | -1.4475 | |
| 40 | P | B | 0.0000 | |
| 41 | T | B | -0.7455 | |
| 42 | L | B | -0.5431 | |
| 43 | S | B | -0.4308 | |
| 44 | L | B | -0.0605 | |
| 45 | D | B | -0.4844 | |
| 46 | Y | B | 0.0000 | |
| 47 | I | B | 0.0000 | |
| 48 | T | B | 0.0000 | |
| 49 | C | B | 0.0000 | |
| 50 | E | B | -1.5467 | |
| 51 | Y | B | -1.4593 | |
| 52 | K | B | -1.7339 | |
| 53 | T | B | -0.4409 | |
| 54 | V | B | 0.1138 | |
| 55 | V | B | 0.5124 | |
| 56 | P | B | 0.2052 | |
| 57 | S | B | 0.0986 | |
| 58 | P | B | 0.3133 | |
| 59 | Y | B | 0.8526 | |
| 60 | V | B | 0.0000 | |
| 61 | K | B | -0.4764 | |
| 62 | C | B | 0.4968 | |
| 63 | C | B | 0.2234 | |
| 64 | G | B | -0.5895 | |
| 65 | T | B | -0.8765 | |
| 66 | A | B | 0.0000 | |
| 67 | E | B | -2.3340 | |
| 68 | C | B | -1.7825 | |
| 69 | K | B | -3.1957 | |
| 70 | D | B | -3.5602 | |
| 71 | K | B | -3.1724 | |
| 72 | N | B | -2.1384 | |
| 73 | L | B | -1.0881 | |
| 74 | P | B | -0.8358 | |
| 75 | D | B | -0.6358 | |
| 76 | Y | B | -0.5318 | |
| 77 | S | B | -0.6436 | |
| 78 | C | B | -1.2252 | |
| 79 | K | B | -1.7236 | |
| 80 | V | B | -1.1094 | |
| 81 | F | B | 0.0000 | |
| 82 | T | B | -1.0358 | |
| 83 | G | B | -1.2114 | |
| 84 | V | B | 0.0000 | |
| 85 | Y | B | 0.3845 | |
| 86 | P | B | 0.0000 | |
| 87 | F | B | 2.2115 | |
| 88 | M | B | 1.7561 | |
| 89 | W | B | 1.5219 | |
| 90 | G | B | 0.5007 | |
| 91 | G | B | 0.7351 | |
| 92 | A | B | 1.4802 | |
| 93 | Y | B | 2.0935 | |
| 94 | C | B | 0.0000 | |
| 95 | F | B | 1.9099 | |
| 96 | C | B | 0.1993 | |
| 97 | D | B | -1.3949 | |
| 98 | A | B | -1.3309 | |
| 99 | E | B | -1.8949 | |
| 100 | N | B | 0.0000 | |
| 101 | T | B | 0.0000 | |
| 102 | Q | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | S | B | 0.0000 | |
| 105 | E | B | -0.3579 | |
| 106 | A | B | 0.0000 | |
| 107 | H | B | 0.0000 | |
| 108 | V | B | 0.0000 | |
| 109 | E | B | -1.8776 | |
| 110 | K | B | -2.0844 | |
| 111 | S | B | -2.0643 | |
| 112 | E | B | -2.7472 | |
| 113 | S | B | -1.9247 | |
| 114 | C | B | 0.0000 | |
| 115 | K | B | -2.6909 | |
| 116 | T | B | -1.6037 | |
| 117 | E | B | -1.5327 | |
| 118 | F | B | -0.6476 | |
| 119 | A | B | 0.0000 | |
| 120 | S | B | 0.0000 | |
| 121 | A | B | 0.0000 | |
| 122 | Y | B | -0.6435 | |
| 123 | R | B | -2.0040 | |
| 124 | A | B | 0.0000 | |
| 125 | H | B | -1.7919 | |
| 126 | T | B | -1.1141 | |
| 127 | A | B | -0.7243 | |
| 128 | S | B | -0.6455 | |
| 129 | A | B | -0.4059 | |
| 130 | S | B | -0.0899 | |
| 131 | A | B | 0.0000 | |
| 132 | K | B | -0.7381 | |
| 133 | L | B | 0.0000 | |
| 134 | R | B | -1.1645 | |
| 135 | V | B | 0.0000 | |
| 136 | L | B | -1.1565 | |
| 137 | Y | B | 0.0000 | |
| 138 | Q | B | -2.1921 | |
| 139 | G | B | -2.1637 | |
| 140 | N | B | -2.1446 | |
| 141 | N | B | -2.0704 | |
| 142 | I | B | 0.0000 | |
| 143 | T | B | -0.7782 | |
| 144 | V | B | 0.0000 | |
| 145 | T | B | -0.1246 | |
| 146 | A | B | 0.0000 | |
| 147 | Y | B | 0.3163 | |
| 148 | A | B | 0.0000 | |
| 149 | N | B | -1.5345 | |
| 150 | G | B | -1.4391 | |
| 151 | D | B | -2.2182 | |
| 152 | H | B | -1.4382 | |
| 153 | A | B | -0.8037 | |
| 154 | V | B | -0.1689 | |
| 155 | T | B | -1.1892 | |
| 156 | V | B | -1.2639 | |
| 157 | K | B | -2.7336 | |
| 158 | D | B | -2.9247 | |
| 159 | A | B | 0.0000 | |
| 160 | K | B | -2.3020 | |
| 161 | F | B | 0.0000 | |
| 162 | I | B | -0.0578 | |
| 163 | V | B | 0.0000 | |
| 164 | G | B | -0.5412 | |
| 165 | P | B | -0.8766 | |
| 166 | M | B | -0.4482 | |
| 167 | S | B | -0.1825 | |
| 168 | S | B | -0.1327 | |
| 169 | A | B | 0.1252 | |
| 170 | W | B | 0.3074 | |
| 171 | T | B | -0.2904 | |
| 172 | P | B | 0.0000 | |
| 173 | F | B | 0.0000 | |
| 174 | D | B | -3.0600 | |
| 175 | N | B | -2.7802 | |
| 176 | K | B | -2.6621 | |
| 177 | I | B | 0.0000 | |
| 178 | V | B | 0.0000 | |
| 179 | V | B | -0.5815 | |
| 180 | Y | B | -0.8929 | |
| 181 | K | B | -2.1507 | |
| 182 | G | B | -1.7565 | |
| 183 | D | B | -1.4714 | |
| 184 | V | B | 0.0000 | |
| 185 | Y | B | 0.0000 | |
| 186 | N | B | -1.7298 | |
| 187 | M | B | -1.5125 | |
| 188 | D | B | -2.3681 | |
| 189 | Y | B | 0.0000 | |
| 190 | P | B | -0.9027 | |
| 191 | P | B | -0.4631 | |
| 192 | F | B | 0.2503 | |
| 193 | G | B | -0.1888 | |
| 194 | A | B | -0.4246 | |
| 195 | G | B | 0.0000 | |
| 196 | R | B | -2.4763 | |
| 197 | P | B | -1.7749 | |
| 198 | G | B | -1.4246 | |
| 199 | Q | B | -1.7916 | |
| 200 | F | B | 0.0000 | |
| 201 | G | B | 0.0000 | |
| 202 | D | B | 0.0000 | |
| 203 | I | B | 0.0000 | |
| 204 | Q | B | 0.0000 | |
| 205 | S | B | 0.0000 | |
| 206 | R | B | -1.9440 | |
| 207 | T | B | -1.8917 | |
| 208 | P | B | -2.2397 | |
| 209 | E | B | -3.0335 | |
| 210 | S | B | -2.6638 | |
| 211 | E | B | -3.3977 | |
| 212 | D | B | -3.0462 | |
| 213 | V | B | -1.5278 | |
| 214 | Y | B | -0.3487 | |
| 215 | A | B | 0.0000 | |
| 216 | N | B | -1.1273 | |
| 217 | T | B | 0.0000 | |
| 218 | Q | B | -1.2908 | |
| 219 | L | B | 0.0000 | |
| 220 | V | B | 0.9446 | |
| 221 | L | B | 0.0000 | |
| 222 | Q | B | -1.1604 | |
| 223 | R | B | -2.1503 | |
| 224 | P | B | 0.0000 | |
| 225 | A | B | -0.4453 | |
| 226 | A | B | 0.0473 | |
| 227 | G | B | 0.6840 | |
| 228 | T | B | 0.5346 | |
| 229 | V | B | 0.8338 | |
| 230 | H | B | -0.3818 | |
| 231 | V | B | -0.2603 | |
| 232 | P | B | -0.0784 | |
| 233 | Y | B | 0.5589 | |
| 234 | S | B | 0.1988 | |
| 235 | Q | B | -0.2132 | |
| 236 | A | B | -0.8156 | |
| 237 | P | B | -0.7909 | |
| 238 | S | B | -0.9032 | |
| 239 | G | B | 0.0000 | |
| 240 | F | B | 0.0000 | |
| 241 | K | B | -1.6614 | |
| 242 | Y | B | -1.2492 | |
| 243 | W | B | 0.0000 | |
| 244 | L | B | -1.5763 | |
| 245 | K | B | -2.7816 | |
| 246 | E | B | -3.0021 | |
| 247 | R | B | -2.1704 | |
| 248 | G | B | -1.5514 | |
| 249 | A | B | -1.0710 | |
| 250 | S | B | 0.0000 | |
| 251 | L | B | 0.0000 | |
| 252 | Q | B | -2.1213 | |
| 253 | H | B | -1.8393 | |
| 254 | T | B | -0.9890 | |
| 255 | A | B | -0.7958 | |
| 256 | P | B | -0.1766 | |
| 257 | F | B | 0.7089 | |
| 258 | G | B | -0.4863 | |
| 259 | C | B | 0.0000 | |
| 260 | Q | B | -1.5651 | |
| 261 | I | B | 0.0000 | |
| 262 | A | B | -1.4312 | |
| 263 | T | B | -1.5435 | |
| 264 | N | B | -1.8150 | |
| 265 | P | B | -1.3475 | |
| 266 | V | B | 0.0000 | |
| 267 | R | B | -1.6443 | |
| 268 | A | B | 0.0000 | |
| 269 | V | B | -0.6751 | |
| 270 | N | B | -0.2845 | |
| 271 | C | B | 0.0000 | |
| 272 | A | B | 0.2789 | |
| 273 | V | B | 0.1765 | |
| 274 | G | B | -0.4711 | |
| 275 | N | B | -0.2469 | |
| 276 | M | B | 0.0000 | |
| 277 | P | B | 0.8649 | |
| 278 | I | B | 0.0000 | |
| 279 | S | B | 0.3862 | |
| 280 | I | B | 0.0000 | |
| 281 | D | B | -2.2965 | |
| 282 | I | B | 0.0000 | |
| 283 | P | B | -2.0191 | |
| 284 | E | B | -1.9310 | |
| 285 | A | B | -0.9337 | |
| 286 | A | B | -0.8507 | |
| 287 | F | B | -0.7161 | |
| 288 | T | B | -0.8748 | |
| 289 | R | B | -1.1016 | |
| 290 | V | B | 0.3837 | |
| 291 | V | B | 0.8669 | |
| 292 | D | B | -1.2346 | |
| 293 | A | B | 0.0000 | |
| 294 | P | B | 0.0000 | |
| 295 | S | B | -0.6888 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | -1.4628 | |
| 298 | D | B | -2.2768 | |
| 299 | M | B | -1.8252 | |
| 300 | S | B | -1.8684 | |
| 301 | C | B | -1.7951 | |
| 302 | E | B | -2.1126 | |
| 303 | V | B | -0.9807 | |
| 304 | P | B | -0.6416 | |
| 305 | A | B | -0.6130 | |
| 306 | C | B | 0.0000 | |
| 307 | T | B | -1.1840 | |
| 308 | H | B | -0.9864 | |
| 309 | S | B | -1.3575 | |
| 310 | S | B | -0.7128 | |
| 311 | D | B | -1.6403 | |
| 312 | F | B | -0.8514 | |
| 313 | G | B | -0.6087 | |
| 314 | G | B | 0.0000 | |
| 315 | V | B | -0.0486 | |
| 316 | A | B | 0.0000 | |
| 317 | I | B | -1.3588 | |
| 318 | I | B | 0.0000 | |
| 319 | K | B | -3.1953 | |
| 320 | Y | B | 0.0000 | |
| 321 | A | B | -2.2246 | |
| 322 | A | B | -2.0676 | |
| 323 | S | B | -1.6690 | |
| 324 | K | B | -3.0652 | |
| 325 | K | B | -3.6250 | |
| 326 | G | B | -2.8667 | |
| 327 | K | B | -3.0917 | |
| 328 | C | B | 0.0000 | |
| 329 | A | B | 0.0000 | |
| 330 | V | B | 0.0000 | |
| 331 | H | B | -0.8861 | |
| 332 | S | B | -0.9725 | |
| 333 | M | B | -0.6557 | |
| 334 | T | B | -1.1109 | |
| 335 | N | B | -1.1921 | |
| 336 | A | B | 0.0000 | |
| 337 | V | B | 0.0000 | |
| 338 | T | B | -0.8077 | |
| 339 | I | B | 0.0000 | |
| 340 | R | B | -2.3235 | |
| 341 | E | B | -1.7268 | |
| 342 | A | B | -1.3256 | |
| 343 | E | B | -2.5924 | |
| 344 | I | B | -1.8371 | |
| 345 | E | B | -2.3897 | |
| 346 | V | B | 0.0000 | |
| 347 | E | B | -3.9407 | |
| 348 | G | B | -2.6700 | |
| 349 | N | B | -2.8193 | |
| 350 | S | B | -2.3017 | |
| 351 | Q | B | -2.7425 | |
| 352 | L | B | 0.0000 | |
| 353 | Q | B | -1.6527 | |
| 354 | I | B | 0.0000 | |
| 355 | S | B | -0.7571 | |
| 356 | F | B | 0.0000 | |
| 357 | S | B | 0.0000 | |
| 358 | T | B | 0.0000 | |
| 359 | A | B | 0.1519 | |
| 360 | L | B | 0.0000 | |
| 361 | A | B | -0.8061 | |
| 362 | S | B | -1.2926 | |
| 363 | A | B | 0.0000 | |
| 364 | E | B | -2.4099 | |
| 365 | F | B | 0.0000 | |
| 366 | R | B | -2.2701 | |
| 367 | V | B | 0.0000 | |
| 368 | Q | B | -1.1632 | |
| 369 | V | B | 0.0000 | |
| 370 | C | B | 0.0000 | |
| 371 | S | B | -0.4945 | |
| 372 | T | B | -0.8940 | |
| 373 | Q | B | -1.6994 | |
| 374 | V | B | 0.0000 | |
| 375 | H | B | -2.2845 | |
| 376 | C | B | 0.0000 | |
| 377 | A | B | -1.8143 | |
| 378 | A | B | -1.6752 | |
| 379 | E | B | -2.3406 | |
| 380 | C | B | 0.0000 | |
| 381 | H | B | -1.8086 | |
| 382 | P | B | -1.6142 | |
| 383 | P | B | -2.0505 | |
| 384 | K | B | -2.8064 | |
| 385 | D | B | -2.3856 | |
| 386 | H | B | -1.1332 | |
| 387 | I | B | 1.0841 | |
| 388 | V | B | 0.6964 | |
| 389 | N | B | -0.1599 | |
| 390 | Y | B | 0.0428 | |
| 391 | P | B | -0.3736 | |
| 392 | A | B | -0.4229 | |
| 393 | S | B | -0.7560 | |
| 394 | H | B | -0.6890 | |
| 395 | T | B | -0.2445 | |
| 396 | T | B | 0.4393 | |
| 397 | L | B | 0.8335 | |
| 398 | G | B | 0.4774 | |
| 399 | V | B | 1.0922 | |
| 400 | Q | B | -0.9184 | |
| 401 | D | B | -1.5910 | |
| 402 | I | B | -0.1357 | |
| 403 | S | B | -0.3386 | |
| 404 | A | B | -0.5086 | |
| 405 | T | B | -0.2333 | |
| 406 | A | B | 0.3897 | |
| 407 | M | B | 0.5771 | |
| 408 | S | B | 0.0770 | |
| 409 | W | B | 0.8758 | |
| 410 | V | B | 0.5359 | |
| 411 | Q | B | -0.8902 | |
| 412 | K | B | -1.0532 | |
| 413 | I | B | 0.9675 | |
| 414 | T | B | 0.5918 | |
| 415 | G | B | 0.4029 | |
| 416 | G | B | 1.3613 | |
| 417 | V | B | 2.9977 | |
| 418 | G | B | 2.3881 | |
| 419 | L | B | 3.6136 | |
| 420 | V | B | 4.3200 | |
| 421 | V | B | 4.2225 | |
| 422 | A | B | 3.5719 | |
| 423 | V | B | 4.3332 | |
| 424 | A | B | 3.6814 | |
| 425 | A | B | 3.8559 | |
| 426 | L | B | 5.0505 | |
| 427 | I | B | 5.4523 | |
| 428 | L | B | 5.1863 | |
| 429 | I | B | 5.2758 | |
| 430 | V | B | 5.6397 | |
| 431 | V | B | 5.1737 | |
| 432 | L | B | 4.4043 | |
| 433 | C | B | 4.0240 | |
| 434 | V | B | 3.5134 | |
| 435 | S | B | 2.0597 | |
| 436 | F | B | 2.3333 | |
| 437 | S | B | 0.6077 | |
| 438 | R | B | -1.1966 | |
| 439 | H | B | -1.3682 |
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 |
|||
| VR434B | -1.0197 | -0.0325 | View | CSV | PDB |
| CR433B | -1.3464 | -0.0241 | View | CSV | PDB |
| VK434B | -0.6891 | -0.0308 | View | CSV | PDB |
| VR420B | -0.757 | -0.0281 | View | CSV | PDB |
| CK433B | -1.0668 | -0.0207 | View | CSV | PDB |
| GR416B | -0.8566 | -0.0237 | View | CSV | PDB |
| VK420B | -0.5419 | -0.0273 | View | CSV | PDB |
| TR414B | -0.7695 | -0.0207 | View | CSV | PDB |
| TK414B | -1.0113 | -0.0164 | View | CSV | PDB |
| VK423B | -0.6584 | -0.0212 | View | CSV | PDB |
| AK425B | -0.5957 | -0.0184 | View | CSV | PDB |
| GK416B | -1.0266 | -0.0131 | View | CSV | PDB |
| VR423B | -0.1646 | -0.0259 | View | CSV | PDB |
| LK419B | -0.0304 | -0.03 | View | CSV | PDB |
| AR272B | -1.1576 | -0.0093 | View | CSV | PDB |
| GR415B | -0.5794 | -0.0135 | View | CSV | PDB |
| SK437B | -0.65 | -0.0121 | View | CSV | PDB |
| FK436B | -0.0443 | -0.0253 | View | CSV | PDB |
| GE418B | -1.1701 | -0.008 | View | CSV | PDB |
| AR425B | -0.1998 | -0.0185 | View | CSV | PDB |
| LR419B | -0.0695 | -0.0227 | View | CSV | PDB |
| SK408B | -0.325 | -0.0145 | View | CSV | PDB |
| SR437B | -0.5481 | -0.0113 | View | CSV | PDB |
| GE415B | -0.8038 | -0.0082 | View | CSV | PDB |
| AR422B | -0.4098 | -0.0116 | View | CSV | PDB |
| GR418B | -0.7212 | -0.0084 | View | CSV | PDB |
| SR408B | -0.1421 | -0.0158 | View | CSV | PDB |
| TE145B | -0.2445 | -0.0117 | View | CSV | PDB |
| AK272B | -0.46 | -0.009 | View | CSV | PDB |
| TK145B | -0.3275 | -0.0085 | View | CSV | PDB |
| AK422B | -0.4853 | -0.0057 | View | CSV | PDB |
| YK147B | 0.0266 | -0.0182 | View | CSV | PDB |
| FR436B | 0.0711 | -0.0286 | View | CSV | PDB |
| IK427B | 0.1827 | -0.0252 | View | CSV | PDB |
| LK426B | 0.2582 | -0.0258 | View | CSV | PDB |
| IR427B | 0.3332 | -0.0296 | View | CSV | PDB |
| VK410B | 0.1595 | -0.0126 | View | CSV | PDB |
| VK430B | 0.1984 | -0.0152 | View | CSV | PDB |
| LR426B | 0.2545 | -0.0186 | View | CSV | PDB |
| VR430B | 0.3353 | -0.0168 | View | CSV | PDB |
| VR410B | 0.4945 | -0.0215 | View | CSV | PDB |
| YR147B | 0.2587 | -0.0106 | View | CSV | PDB |
| IK429B | 0.6473 | -0.0231 | View | CSV | PDB |
| IK413B | 0.5987 | -0.0199 | View | CSV | PDB |
| IR429B | 0.9825 | -0.0278 | View | CSV | PDB |
| IE413B | 1.2496 | -0.0265 | View | CSV | PDB |
| YR233B | 0.5771 | -0.0121 | View | CSV | PDB |
| YK233B | 0.8541 | -0.0119 | View | CSV | PDB |
| LR44B | 0.8839 | -0.0076 | View | CSV | PDB |
| VR273B | 1.4133 | -0.0074 | View | CSV | PDB |
| VE273B | 1.4597 | -0.0074 | View | CSV | PDB |
| LE44B | 1.9236 | -0.0096 | View | CSV | PDB |
| PE232B | 2.1457 | -0.0096 | View | CSV | PDB |
| PE277B | 2.5266 | -0.0113 | View | CSV | PDB |
| PK277B | 1.8816 | -0.0063 | View | CSV | PDB |
| PD232B | 2.475 | -0.008 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine