| Chain sequence(s) |
A: SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR
D: SDVPTKLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGLRLMLAGSKPISINYRT input PDB |
| Selected Chain(s) | A,D |
| 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 all 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 (00:04:55)
[INFO] Main: Simulation completed successfully. (00:04:57)
|
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 | |
| 305 | S | A | 0.2309 | |
| 306 | L | A | 1.3748 | |
| 307 | A | A | 0.0000 | |
| 308 | L | A | 0.3854 | |
| 309 | S | A | 0.4197 | |
| 310 | L | A | -0.1190 | |
| 311 | T | A | -1.1890 | |
| 312 | A | A | -1.6589 | |
| 313 | D | A | -2.4117 | |
| 314 | Q | A | -1.9297 | |
| 315 | M | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | S | A | -1.3440 | |
| 318 | A | A | -1.2919 | |
| 319 | L | A | 0.0000 | |
| 320 | L | A | -0.8944 | |
| 321 | D | A | -2.0810 | |
| 322 | A | A | 0.0000 | |
| 323 | E | A | -1.8486 | |
| 324 | P | A | -0.6629 | |
| 325 | P | A | 0.2211 | |
| 326 | I | A | 1.2828 | |
| 327 | L | A | 0.0000 | |
| 328 | Y | A | 0.1185 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -1.9424 | |
| 331 | Y | A | -1.1590 | |
| 332 | D | A | -1.9838 | |
| 333 | P | A | -1.4817 | |
| 334 | T | A | -1.3597 | |
| 335 | R | A | -2.1951 | |
| 336 | P | A | -1.2787 | |
| 337 | F | A | -0.3851 | |
| 338 | S | A | -0.7411 | |
| 339 | E | A | -1.7233 | |
| 340 | A | A | -0.6560 | |
| 341 | S | A | -0.6388 | |
| 342 | M | A | 0.0000 | |
| 343 | M | A | 0.0000 | |
| 344 | G | A | -0.5292 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | -0.1457 | |
| 347 | T | A | 0.0000 | |
| 348 | N | A | -0.8789 | |
| 349 | L | A | 0.0000 | |
| 350 | A | A | -0.1676 | |
| 351 | D | A | 0.0000 | |
| 352 | R | A | 0.0000 | |
| 353 | E | A | -0.2105 | |
| 354 | L | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | H | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | N | A | -1.0081 | |
| 360 | W | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | K | A | -0.7546 | |
| 363 | R | A | -1.4170 | |
| 364 | V | A | 0.0000 | |
| 365 | P | A | -0.0276 | |
| 366 | G | A | -0.3982 | |
| 367 | F | A | 0.0000 | |
| 368 | V | A | 0.5454 | |
| 369 | D | A | -0.9321 | |
| 370 | L | A | -0.5646 | |
| 371 | T | A | -0.2371 | |
| 372 | L | A | -0.2418 | |
| 373 | H | A | -1.1546 | |
| 374 | D | A | 0.0000 | |
| 375 | Q | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | H | A | -1.1488 | |
| 378 | L | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | E | A | -0.9457 | |
| 381 | C | A | -0.3296 | |
| 382 | A | A | 0.0000 | |
| 383 | W | A | 0.0000 | |
| 384 | L | A | -0.0525 | |
| 385 | E | A | 0.0000 | |
| 386 | I | A | 0.0000 | |
| 387 | L | A | 0.1843 | |
| 388 | M | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | G | A | 0.0812 | |
| 391 | L | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | W | A | -0.3966 | |
| 394 | R | A | -0.4982 | |
| 395 | S | A | 0.0000 | |
| 396 | M | A | -1.6234 | |
| 397 | E | A | -2.3408 | |
| 398 | H | A | -1.6697 | |
| 399 | P | A | -1.4584 | |
| 400 | G | A | -1.6345 | |
| 401 | K | A | -1.7664 | |
| 402 | L | A | 0.0000 | |
| 403 | L | A | -0.0526 | |
| 404 | F | A | 0.3914 | |
| 405 | A | A | 0.0000 | |
| 406 | P | A | 0.1902 | |
| 407 | N | A | -0.4713 | |
| 408 | L | A | 0.0000 | |
| 409 | L | A | 0.4650 | |
| 410 | L | A | 0.0000 | |
| 411 | D | A | -2.1159 | |
| 412 | R | A | -3.2112 | |
| 413 | N | A | -2.7919 | |
| 414 | Q | A | -1.9135 | |
| 415 | G | A | 0.0000 | |
| 416 | K | A | -3.3677 | |
| 417 | C | A | -1.8582 | |
| 418 | V | A | 0.0000 | |
| 419 | E | A | -2.7929 | |
| 420 | G | A | -2.1977 | |
| 421 | M | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | E | A | -2.6865 | |
| 424 | I | A | 0.0000 | |
| 425 | F | A | 0.0000 | |
| 426 | D | A | -1.5011 | |
| 427 | M | A | -0.6381 | |
| 428 | L | A | 0.0000 | |
| 429 | L | A | -0.7767 | |
| 430 | A | A | -0.5266 | |
| 431 | T | A | 0.0000 | |
| 432 | S | A | 0.0000 | |
| 433 | S | A | -1.3412 | |
| 434 | R | A | -1.5215 | |
| 435 | F | A | 0.0000 | |
| 436 | R | A | -1.9509 | |
| 437 | M | A | -0.3237 | |
| 438 | M | A | -0.9187 | |
| 439 | N | A | -1.7542 | |
| 440 | L | A | 0.0000 | |
| 441 | Q | A | -1.8817 | |
| 442 | G | A | -1.1059 | |
| 443 | E | A | -1.2330 | |
| 444 | E | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | C | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | K | A | 0.0000 | |
| 450 | S | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | I | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | N | A | -0.9254 | |
| 456 | S | A | -0.3678 | |
| 457 | G | A | 0.3078 | |
| 458 | V | A | 1.9105 | |
| 459 | Y | A | 1.6401 | |
| 460 | T | A | 0.7652 | |
| 472 | K | A | -2.1805 | |
| 473 | D | A | -3.4197 | |
| 474 | H | A | -3.3021 | |
| 475 | I | A | 0.0000 | |
| 476 | H | A | -3.5673 | |
| 477 | R | A | -3.7579 | |
| 478 | V | A | 0.0000 | |
| 479 | L | A | -2.5097 | |
| 480 | D | A | -3.1421 | |
| 481 | K | A | -2.2139 | |
| 482 | I | A | 0.0000 | |
| 483 | T | A | -1.7714 | |
| 484 | D | A | -2.3691 | |
| 485 | T | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | I | A | -0.7337 | |
| 488 | H | A | -1.5463 | |
| 489 | L | A | -1.3980 | |
| 490 | M | A | 0.0000 | |
| 491 | A | A | -0.6854 | |
| 492 | K | A | -1.7710 | |
| 493 | A | A | -0.8784 | |
| 494 | G | A | -0.6650 | |
| 495 | L | A | -0.3099 | |
| 496 | T | A | -0.1502 | |
| 497 | L | A | 0.3273 | |
| 498 | Q | A | -1.4998 | |
| 499 | Q | A | -1.7359 | |
| 500 | Q | A | 0.0000 | |
| 501 | H | A | -1.8252 | |
| 502 | Q | A | -2.3214 | |
| 503 | R | A | -1.3385 | |
| 504 | L | A | -0.6484 | |
| 505 | A | A | -0.3742 | |
| 506 | Q | A | -0.3092 | |
| 507 | L | A | 0.0000 | |
| 508 | L | A | 1.1296 | |
| 509 | L | A | 1.5278 | |
| 510 | I | A | 0.0000 | |
| 511 | L | A | 0.0000 | |
| 512 | S | A | -0.1758 | |
| 513 | H | A | -0.7018 | |
| 514 | I | A | 0.0000 | |
| 515 | R | A | -1.5731 | |
| 516 | H | A | -2.0854 | |
| 517 | M | A | 0.0000 | |
| 518 | S | A | 0.0000 | |
| 519 | N | A | -2.7906 | |
| 520 | K | A | -2.8634 | |
| 521 | G | A | 0.0000 | |
| 522 | M | A | 0.0000 | |
| 523 | E | A | -2.7782 | |
| 524 | H | A | -1.7047 | |
| 525 | L | A | -0.6835 | |
| 526 | Y | A | -1.4422 | |
| 527 | S | A | -1.0712 | |
| 528 | M | A | 0.0000 | |
| 529 | K | A | -1.1846 | |
| 530 | C | A | -0.8552 | |
| 531 | K | A | -2.0506 | |
| 532 | N | A | -1.9006 | |
| 533 | V | A | -1.0940 | |
| 534 | V | A | 0.0000 | |
| 535 | P | A | -0.5610 | |
| 536 | L | A | -0.4464 | |
| 537 | S | A | -0.6294 | |
| 538 | D | A | -1.0746 | |
| 539 | L | A | 0.0000 | |
| 540 | L | A | 0.0000 | |
| 541 | L | A | -0.6649 | |
| 542 | E | A | -1.3663 | |
| 543 | M | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | D | A | -2.6179 | |
| 546 | A | A | -1.8730 | |
| 547 | H | A | -2.4576 | |
| 548 | R | A | -2.7857 | |
| 2 | S | D | -1.0608 | |
| 3 | D | D | -1.5246 | |
| 4 | V | D | -0.8149 | |
| 5 | P | D | 0.0000 | |
| 6 | T | D | -1.7014 | |
| 7 | K | D | -2.5192 | |
| 8 | L | D | 0.0000 | |
| 9 | E | D | -1.7989 | |
| 10 | V | D | 0.1391 | |
| 11 | V | D | 1.5607 | |
| 12 | A | D | 0.9039 | |
| 13 | A | D | 0.3082 | |
| 14 | T | D | -0.2171 | |
| 15 | P | D | -1.0377 | |
| 16 | T | D | -0.9381 | |
| 17 | S | D | -0.4818 | |
| 18 | L | D | 0.0000 | |
| 19 | L | D | 0.7700 | |
| 20 | I | D | 0.0000 | |
| 21 | S | D | -0.8500 | |
| 22 | W | D | 0.0000 | |
| 23 | D | D | -2.1702 | |
| 24 | A | D | -1.3125 | |
| 25 | P | D | 0.0000 | |
| 26 | A | D | -0.3179 | |
| 27 | V | D | 0.2227 | |
| 28 | T | D | -0.0032 | |
| 29 | V | D | 0.0000 | |
| 30 | R | D | -1.2161 | |
| 31 | Y | D | 0.0000 | |
| 32 | Y | D | 0.0000 | |
| 33 | R | D | 0.0000 | |
| 34 | I | D | 0.0000 | |
| 35 | T | D | 0.0000 | |
| 36 | Y | D | 0.0000 | |
| 37 | G | D | -1.2040 | |
| 38 | E | D | -2.1850 | |
| 39 | T | D | -1.6012 | |
| 40 | G | D | -1.4796 | |
| 41 | G | D | -1.7320 | |
| 42 | N | D | -1.7304 | |
| 43 | S | D | -0.9667 | |
| 44 | P | D | 0.0568 | |
| 45 | V | D | -0.1438 | |
| 46 | Q | D | -0.5891 | |
| 47 | E | D | 0.0000 | |
| 48 | F | D | 0.0297 | |
| 49 | T | D | 0.1485 | |
| 50 | V | D | 0.0000 | |
| 51 | P | D | -0.9679 | |
| 52 | G | D | -1.0697 | |
| 53 | S | D | -1.2159 | |
| 54 | K | D | -1.7152 | |
| 55 | S | D | -1.2163 | |
| 56 | T | D | -0.6239 | |
| 57 | A | D | 0.0000 | |
| 58 | T | D | 0.2732 | |
| 59 | I | D | 0.0000 | |
| 60 | S | D | -0.6573 | |
| 61 | G | D | -1.0408 | |
| 62 | L | D | 0.0000 | |
| 63 | K | D | -2.3475 | |
| 64 | P | D | -1.5861 | |
| 65 | G | D | -1.3772 | |
| 66 | V | D | -1.3801 | |
| 67 | D | D | -2.0367 | |
| 68 | Y | D | 0.0000 | |
| 69 | T | D | -1.0610 | |
| 70 | I | D | 0.0000 | |
| 71 | T | D | 0.0000 | |
| 72 | V | D | 0.0000 | |
| 73 | Y | D | 0.0256 | |
| 74 | A | D | 0.0419 | |
| 75 | V | D | 0.0000 | |
| 76 | T | D | -0.4911 | |
| 77 | G | D | -0.8706 | |
| 78 | L | D | 0.0000 | |
| 79 | R | D | -1.6993 | |
| 80 | L | D | -0.4909 | |
| 81 | M | D | -0.4557 | |
| 82 | L | D | 0.0000 | |
| 83 | A | D | -0.1939 | |
| 84 | G | D | -0.8394 | |
| 85 | S | D | -1.0794 | |
| 86 | K | D | -1.7354 | |
| 87 | P | D | -0.7179 | |
| 88 | I | D | -0.4190 | |
| 89 | S | D | -0.6806 | |
| 90 | I | D | -0.6199 | |
| 91 | N | D | -1.7126 | |
| 92 | Y | D | -1.3817 | |
| 93 | R | D | -2.4550 | |
| 94 | T | D | -1.5800 |
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