| Chain sequence(s) |
A: PLSVQGTGWMSKGQITVLDMHPGSGKTHRVLPELVRQCADRGMRTLVLAPTRVVLKEMERALAGKKVRFHSVEGQTTAGAIVDVMCHATYVHRRLLPQGRQNWEVAIMDEAHWTDPHSIAARGHLYSLAKENRCALVLMTATPPGRGDPFPESNGAIMSEERAIPDGEWREGFDWITEYEGRTAWFVPSISKGGAVARTLRQRGKSVICLNSKTFEKDYLRVREEKPDFVVTTDISEMGANLDVSRVIDGRTNIKPEEVDGKVELTGTRKVTTASAAQRRGRVGRTSGRTDEYIYSGQCDDDDTSLVQWKEAQILLDNITTLRGPVATFYGPEQVKMPEVAGHYRLNEEKRKHFRHLMTQCDFTPWLAWHVATNTSNVLDRSWTWQGPEENAIDGADGDLVRFKTPGGSERVLQPVWKDCRMFREGRDVKDFILYASGR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| 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 (00:09:07)
[INFO] Main: Simulation completed successfully. (00:09:11)
|
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 | |
| 180 | P | A | -0.0449 | |
| 181 | L | A | 0.8429 | |
| 182 | S | A | 0.0314 | |
| 183 | V | A | 0.0000 | |
| 184 | Q | A | -1.1142 | |
| 185 | G | A | -1.0685 | |
| 186 | T | A | -1.1109 | |
| 187 | G | A | -1.1906 | |
| 188 | W | A | 0.0000 | |
| 189 | M | A | 0.0000 | |
| 190 | S | A | -1.4831 | |
| 191 | K | A | -2.7937 | |
| 192 | G | A | -2.7056 | |
| 193 | Q | A | -1.7452 | |
| 194 | I | A | -0.4320 | |
| 195 | T | A | 0.0000 | |
| 196 | V | A | 0.1569 | |
| 197 | L | A | 0.0000 | |
| 198 | D | A | -1.7375 | |
| 199 | M | A | -1.2999 | |
| 200 | H | A | -1.5139 | |
| 201 | P | A | -1.1978 | |
| 202 | G | A | -1.0405 | |
| 203 | S | A | -1.0183 | |
| 204 | G | A | -1.3799 | |
| 205 | K | A | -1.4249 | |
| 206 | T | A | -1.3866 | |
| 207 | H | A | -2.3758 | |
| 208 | R | A | -2.6378 | |
| 209 | V | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | P | A | 0.0000 | |
| 212 | E | A | -2.5850 | |
| 213 | L | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | R | A | -3.1758 | |
| 216 | Q | A | -2.6626 | |
| 217 | C | A | 0.0000 | |
| 218 | A | A | -2.8811 | |
| 219 | D | A | -3.3338 | |
| 220 | R | A | -3.3374 | |
| 221 | G | A | -2.1928 | |
| 222 | M | A | -1.5956 | |
| 223 | R | A | -1.7121 | |
| 224 | T | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | P | A | -0.4944 | |
| 230 | T | A | 0.0000 | |
| 231 | R | A | -2.5309 | |
| 232 | V | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | K | A | -2.4880 | |
| 236 | E | A | -2.2898 | |
| 237 | M | A | 0.0000 | |
| 238 | E | A | -2.4268 | |
| 239 | R | A | -2.8048 | |
| 240 | A | A | -2.1750 | |
| 241 | L | A | 0.0000 | |
| 242 | A | A | -1.4086 | |
| 243 | G | A | -1.4356 | |
| 244 | K | A | -2.2625 | |
| 245 | K | A | -2.1764 | |
| 246 | V | A | 0.0000 | |
| 247 | R | A | -0.6486 | |
| 248 | F | A | -0.2462 | |
| 249 | H | A | -0.4886 | |
| 250 | S | A | -0.6157 | |
| 253 | V | A | -0.5241 | |
| 254 | E | A | -1.9282 | |
| 255 | G | A | -1.6344 | |
| 256 | Q | A | -1.7283 | |
| 257 | T | A | -0.8252 | |
| 258 | T | A | -0.4644 | |
| 259 | A | A | -0.3569 | |
| 260 | G | A | -0.5567 | |
| 261 | A | A | -0.6799 | |
| 262 | I | A | -0.4970 | |
| 263 | V | A | 0.0000 | |
| 264 | D | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | M | A | 0.0000 | |
| 267 | C | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | A | A | -0.0808 | |
| 270 | T | A | 0.0000 | |
| 271 | Y | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | H | A | -0.5903 | |
| 274 | R | A | -1.1690 | |
| 275 | R | A | -1.0518 | |
| 276 | L | A | 0.0000 | |
| 277 | L | A | -1.5219 | |
| 278 | P | A | -1.3323 | |
| 279 | Q | A | -1.6964 | |
| 280 | G | A | 0.0000 | |
| 281 | R | A | -2.5842 | |
| 282 | Q | A | -2.0350 | |
| 283 | N | A | -2.1746 | |
| 284 | W | A | -1.2450 | |
| 285 | E | A | -1.6036 | |
| 286 | V | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | M | A | 0.0000 | |
| 290 | D | A | 0.0000 | |
| 291 | E | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | H | A | 0.0000 | |
| 294 | W | A | -0.1716 | |
| 295 | T | A | -0.4493 | |
| 296 | D | A | -0.7815 | |
| 297 | P | A | 0.0000 | |
| 298 | H | A | -0.3686 | |
| 299 | S | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | A | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | R | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | H | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | Y | A | -0.7589 | |
| 308 | S | A | -0.9169 | |
| 309 | L | A | -1.6428 | |
| 310 | A | A | 0.0000 | |
| 311 | K | A | -3.2322 | |
| 312 | E | A | -3.2954 | |
| 313 | N | A | -3.6620 | |
| 314 | R | A | -3.1859 | |
| 315 | C | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | M | A | 0.0000 | |
| 321 | T | A | 0.0000 | |
| 322 | A | A | -1.0752 | |
| 323 | T | A | -1.0957 | |
| 324 | P | A | -0.8816 | |
| 325 | P | A | -0.7834 | |
| 326 | G | A | -1.7839 | |
| 327 | R | A | -2.9029 | |
| 328 | G | A | -2.4424 | |
| 329 | D | A | -2.2532 | |
| 330 | P | A | -0.7778 | |
| 331 | F | A | 0.1464 | |
| 332 | P | A | -1.0781 | |
| 333 | E | A | -1.9562 | |
| 334 | S | A | -1.2474 | |
| 335 | N | A | -1.2339 | |
| 336 | G | A | 0.0000 | |
| 337 | A | A | -0.6715 | |
| 338 | I | A | -0.2084 | |
| 339 | M | A | 0.0900 | |
| 340 | S | A | -0.8232 | |
| 341 | E | A | -2.4687 | |
| 342 | E | A | -3.0233 | |
| 343 | R | A | -1.8831 | |
| 344 | A | A | -0.7514 | |
| 345 | I | A | -0.5209 | |
| 346 | P | A | 0.0000 | |
| 347 | D | A | -2.2628 | |
| 348 | G | A | 0.0000 | |
| 349 | E | A | -3.2591 | |
| 350 | W | A | -2.6474 | |
| 351 | R | A | -3.0917 | |
| 352 | E | A | -3.2884 | |
| 353 | G | A | -2.0449 | |
| 354 | F | A | -1.3936 | |
| 355 | D | A | -2.3954 | |
| 356 | W | A | -1.4709 | |
| 357 | I | A | 0.0000 | |
| 358 | T | A | 0.0000 | |
| 359 | E | A | -2.6028 | |
| 360 | Y | A | -2.1002 | |
| 361 | E | A | -2.6178 | |
| 362 | G | A | -2.1075 | |
| 363 | R | A | -1.9501 | |
| 364 | T | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | W | A | 0.0000 | |
| 367 | F | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | P | A | 0.0000 | |
| 370 | S | A | 0.0000 | |
| 371 | I | A | -0.3836 | |
| 372 | S | A | -0.6010 | |
| 373 | K | A | -1.2536 | |
| 374 | G | A | 0.0000 | |
| 375 | G | A | -0.9462 | |
| 376 | A | A | -1.7200 | |
| 377 | V | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | R | A | -3.3570 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | R | A | -3.8590 | |
| 383 | Q | A | -3.4480 | |
| 384 | R | A | -3.1018 | |
| 385 | G | A | -2.4140 | |
| 386 | K | A | -2.3072 | |
| 387 | S | A | -1.9532 | |
| 388 | V | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | C | A | -0.0044 | |
| 391 | L | A | 0.0000 | |
| 392 | N | A | 0.0000 | |
| 393 | S | A | -1.1221 | |
| 394 | K | A | -2.2210 | |
| 395 | T | A | -1.5317 | |
| 396 | F | A | 0.0000 | |
| 397 | E | A | -1.9033 | |
| 398 | K | A | -2.3804 | |
| 399 | D | A | -1.4942 | |
| 400 | Y | A | 0.0000 | |
| 401 | L | A | -1.2724 | |
| 402 | R | A | -2.7761 | |
| 403 | V | A | 0.0000 | |
| 404 | R | A | -3.9414 | |
| 405 | E | A | -4.0428 | |
| 406 | E | A | -4.0357 | |
| 407 | K | A | -4.1881 | |
| 408 | P | A | 0.0000 | |
| 409 | D | A | -2.1960 | |
| 410 | F | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | V | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | T | A | 0.0000 | |
| 415 | D | A | -0.2957 | |
| 416 | I | A | -0.3070 | |
| 417 | S | A | 0.0000 | |
| 418 | E | A | 0.0000 | |
| 419 | M | A | 0.0000 | |
| 420 | G | A | -0.2473 | |
| 421 | A | A | 0.0000 | |
| 422 | N | A | -0.9137 | |
| 423 | L | A | 0.0000 | |
| 424 | D | A | -2.0470 | |
| 425 | V | A | -1.2115 | |
| 426 | S | A | -1.0477 | |
| 427 | R | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | D | A | 0.0000 | |
| 431 | G | A | -0.8461 | |
| 432 | R | A | 0.0000 | |
| 433 | T | A | -0.7171 | |
| 434 | N | A | -0.4680 | |
| 435 | I | A | -0.2709 | |
| 436 | K | A | -0.7833 | |
| 437 | P | A | 0.0000 | |
| 438 | E | A | -0.9131 | |
| 439 | E | A | -1.1820 | |
| 440 | V | A | -0.5662 | |
| 441 | D | A | -1.8230 | |
| 442 | G | A | -1.3306 | |
| 443 | K | A | -1.0412 | |
| 444 | V | A | 0.0000 | |
| 445 | E | A | -1.1096 | |
| 446 | L | A | -0.6027 | |
| 447 | T | A | -0.4774 | |
| 448 | G | A | -0.6151 | |
| 449 | T | A | -0.4680 | |
| 450 | R | A | 0.0000 | |
| 451 | K | A | -1.6692 | |
| 452 | V | A | 0.0000 | |
| 453 | T | A | -1.9951 | |
| 454 | T | A | -1.8050 | |
| 455 | A | A | -1.0821 | |
| 456 | S | A | -0.5234 | |
| 457 | A | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | Q | A | 0.0000 | |
| 460 | R | A | 0.0000 | |
| 461 | R | A | 0.0000 | |
| 462 | G | A | -0.3715 | |
| 463 | R | A | 0.0000 | |
| 464 | V | A | 0.0000 | |
| 465 | G | A | 0.0000 | |
| 466 | R | A | -1.0143 | |
| 467 | T | A | -1.0691 | |
| 468 | S | A | -1.1303 | |
| 469 | G | A | -1.5873 | |
| 470 | R | A | -2.1538 | |
| 471 | T | A | -0.9668 | |
| 472 | D | A | 0.0000 | |
| 473 | E | A | -0.4604 | |
| 474 | Y | A | 0.0000 | |
| 475 | I | A | 0.0000 | |
| 476 | Y | A | -1.3517 | |
| 477 | S | A | -1.3781 | |
| 478 | G | A | -1.3596 | |
| 479 | Q | A | -1.9666 | |
| 480 | C | A | 0.0000 | |
| 481 | D | A | -2.7896 | |
| 482 | D | A | -3.6612 | |
| 483 | D | A | -3.1400 | |
| 484 | D | A | -1.9477 | |
| 485 | T | A | -0.9303 | |
| 486 | S | A | -0.7494 | |
| 487 | L | A | -0.6599 | |
| 488 | V | A | 0.0000 | |
| 489 | Q | A | -0.6876 | |
| 490 | W | A | 0.0000 | |
| 491 | K | A | -0.7472 | |
| 492 | E | A | 0.0000 | |
| 493 | A | A | 0.0000 | |
| 494 | Q | A | 0.0000 | |
| 495 | I | A | 0.0000 | |
| 496 | L | A | 0.0000 | |
| 497 | L | A | 0.0000 | |
| 498 | D | A | 0.0000 | |
| 499 | N | A | 0.0000 | |
| 500 | I | A | 0.0000 | |
| 501 | T | A | -0.1264 | |
| 502 | T | A | 0.1483 | |
| 503 | L | A | 0.7134 | |
| 504 | R | A | -1.0895 | |
| 505 | G | A | -0.8665 | |
| 506 | P | A | -0.2097 | |
| 507 | V | A | 1.5463 | |
| 508 | A | A | 0.5521 | |
| 509 | T | A | 0.4620 | |
| 510 | F | A | 0.0000 | |
| 511 | Y | A | 0.0000 | |
| 512 | G | A | -0.1901 | |
| 513 | P | A | -0.3753 | |
| 514 | E | A | 0.0000 | |
| 515 | Q | A | 0.2182 | |
| 516 | V | A | 1.3445 | |
| 517 | K | A | -0.0192 | |
| 518 | M | A | 0.0000 | |
| 519 | P | A | -0.3112 | |
| 520 | E | A | -0.5390 | |
| 521 | V | A | 1.1413 | |
| 522 | A | A | 0.7479 | |
| 523 | G | A | 0.1842 | |
| 524 | H | A | -0.9272 | |
| 525 | Y | A | 0.0000 | |
| 526 | R | A | -1.1591 | |
| 527 | L | A | 0.0000 | |
| 528 | N | A | -3.1387 | |
| 529 | E | A | -3.8503 | |
| 530 | E | A | -3.7310 | |
| 531 | K | A | -3.0468 | |
| 532 | R | A | -2.6095 | |
| 533 | K | A | -2.6303 | |
| 534 | H | A | -1.5850 | |
| 535 | F | A | 0.0000 | |
| 536 | R | A | 0.0000 | |
| 537 | H | A | -1.6055 | |
| 538 | L | A | 0.0000 | |
| 539 | M | A | 0.0000 | |
| 540 | T | A | -1.2885 | |
| 541 | Q | A | -1.9110 | |
| 542 | C | A | -1.6081 | |
| 543 | D | A | -2.4625 | |
| 544 | F | A | 0.0000 | |
| 545 | T | A | 0.0000 | |
| 546 | P | A | -0.3028 | |
| 547 | W | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | A | A | 0.0000 | |
| 550 | W | A | -0.2997 | |
| 551 | H | A | -0.3299 | |
| 552 | V | A | 0.0000 | |
| 553 | A | A | 0.0000 | |
| 554 | T | A | -1.0573 | |
| 555 | N | A | -1.5523 | |
| 556 | T | A | -0.9994 | |
| 557 | S | A | -1.0775 | |
| 558 | N | A | -0.8188 | |
| 559 | V | A | 0.8703 | |
| 560 | L | A | 0.9853 | |
| 561 | D | A | -0.7679 | |
| 562 | R | A | -0.6970 | |
| 563 | S | A | -0.7016 | |
| 564 | W | A | 0.0000 | |
| 565 | T | A | 0.0000 | |
| 566 | W | A | -0.8385 | |
| 567 | Q | A | -1.3259 | |
| 568 | G | A | -1.0763 | |
| 569 | P | A | -1.7289 | |
| 570 | E | A | -2.8402 | |
| 571 | E | A | -2.8001 | |
| 572 | N | A | 0.0000 | |
| 573 | A | A | -1.6078 | |
| 574 | I | A | 0.0000 | |
| 575 | D | A | -2.6222 | |
| 576 | G | A | -2.3942 | |
| 577 | A | A | -1.8901 | |
| 578 | D | A | -2.7641 | |
| 579 | G | A | -2.6232 | |
| 580 | D | A | -2.9146 | |
| 581 | L | A | -1.4821 | |
| 582 | V | A | -1.5294 | |
| 583 | R | A | -2.3467 | |
| 584 | F | A | 0.0000 | |
| 585 | K | A | -3.2002 | |
| 586 | T | A | -2.2391 | |
| 587 | P | A | -1.6567 | |
| 588 | G | A | -1.3747 | |
| 589 | G | A | -1.8850 | |
| 590 | S | A | -2.0784 | |
| 591 | E | A | -3.3064 | |
| 592 | R | A | -2.3022 | |
| 593 | V | A | -1.3714 | |
| 594 | L | A | 0.0000 | |
| 595 | Q | A | -1.2190 | |
| 596 | P | A | 0.0000 | |
| 597 | V | A | -0.0196 | |
| 598 | W | A | 0.0282 | |
| 599 | K | A | -0.5206 | |
| 600 | D | A | 0.0000 | |
| 601 | C | A | -0.5782 | |
| 602 | R | A | -0.8479 | |
| 603 | M | A | 0.0000 | |
| 604 | F | A | -1.5276 | |
| 605 | R | A | -1.4615 | |
| 606 | E | A | -1.4441 | |
| 607 | G | A | -1.5677 | |
| 608 | R | A | -2.4487 | |
| 609 | D | A | -2.4208 | |
| 610 | V | A | -1.8685 | |
| 611 | K | A | -2.4817 | |
| 612 | D | A | -2.6539 | |
| 613 | F | A | 0.0000 | |
| 614 | I | A | -1.2122 | |
| 615 | L | A | -0.5980 | |
| 616 | Y | A | 0.0000 | |
| 617 | A | A | 0.0000 | |
| 618 | S | A | 0.0000 | |
| 619 | G | A | -1.2588 | |
| 620 | R | A | -1.7368 |
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