| Chain sequence(s) |
A: SLTTTEVVMENVTAFWEEGGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNL
C: QVQLQESGGGLVQAGGSLRLSCAASGSTFAIIAMMGWYRQAPGKQRELVAVISTGDTRYADSVKGRFTISRDNAKNTVYLQMDSLRPEDTAVYYCNAAVQVRDYRNYWGQGTQVTVSS B: QVQLQESGGGLVQAGSSLRRLACAATGSIRSINNMGWYRQAPGKQRGMVAIITRVGNTDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTATYYCHAEITEQSRPFYLTDDYWGQGTQVTVS input PDB |
| Selected Chain(s) | A,C,B |
| 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 (00:07:28)
[INFO] Main: Simulation completed successfully. (00:07:32)
|
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 | |
| 386 | S | A | 0.3623 | |
| 387 | L | A | 1.3537 | |
| 388 | T | A | 0.4320 | |
| 389 | T | A | 0.0092 | |
| 390 | T | A | -0.4291 | |
| 391 | E | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | V | A | -1.4954 | |
| 394 | M | A | 0.0000 | |
| 395 | E | A | -3.5984 | |
| 396 | N | A | -3.8427 | |
| 397 | V | A | 0.0000 | |
| 398 | T | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | F | A | -0.7204 | |
| 401 | W | A | -0.4437 | |
| 402 | E | A | -2.2208 | |
| 403 | E | A | -2.6474 | |
| 404 | G | A | -1.7493 | |
| 437 | G | A | -1.3376 | |
| 438 | T | A | -0.9306 | |
| 439 | P | A | -1.0356 | |
| 440 | V | A | -0.4195 | |
| 441 | L | A | 0.0000 | |
| 442 | K | A | -2.8753 | |
| 443 | D | A | -3.5530 | |
| 444 | I | A | 0.0000 | |
| 445 | N | A | -2.3433 | |
| 446 | F | A | 0.0000 | |
| 447 | K | A | -1.5919 | |
| 448 | I | A | 0.0000 | |
| 449 | E | A | -1.0611 | |
| 450 | R | A | -1.5965 | |
| 451 | G | A | -1.5971 | |
| 452 | Q | A | -1.4778 | |
| 453 | L | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | V | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | G | A | 0.0000 | |
| 459 | S | A | -0.4946 | |
| 460 | T | A | -0.5765 | |
| 461 | G | A | -0.9841 | |
| 462 | A | A | 0.0000 | |
| 463 | G | A | 0.0000 | |
| 464 | K | A | -0.5513 | |
| 465 | T | A | -0.3080 | |
| 466 | S | A | -0.0461 | |
| 467 | L | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | M | A | 0.0000 | |
| 470 | M | A | 0.0000 | |
| 471 | I | A | 0.0000 | |
| 472 | M | A | -0.9059 | |
| 473 | G | A | -1.4180 | |
| 474 | E | A | -1.6563 | |
| 475 | L | A | 0.0000 | |
| 476 | E | A | -2.4415 | |
| 477 | P | A | -2.0503 | |
| 478 | S | A | -2.0544 | |
| 479 | E | A | -3.4934 | |
| 480 | G | A | -3.5776 | |
| 481 | K | A | -3.1906 | |
| 482 | I | A | -2.3477 | |
| 483 | K | A | -2.2427 | |
| 484 | H | A | -1.4000 | |
| 485 | S | A | -1.2487 | |
| 486 | G | A | -1.5270 | |
| 487 | R | A | -2.1004 | |
| 488 | I | A | -1.0348 | |
| 489 | S | A | 0.0000 | |
| 490 | F | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | S | A | 0.0000 | |
| 493 | Q | A | -0.3184 | |
| 494 | F | A | 0.2239 | |
| 495 | S | A | 0.0000 | |
| 496 | W | A | 0.0000 | |
| 497 | I | A | 0.0000 | |
| 498 | M | A | 0.0000 | |
| 499 | P | A | -0.3207 | |
| 500 | G | A | -0.2639 | |
| 501 | T | A | -0.5410 | |
| 502 | I | A | 0.0000 | |
| 503 | K | A | -1.0633 | |
| 504 | E | A | -0.8871 | |
| 505 | N | A | 0.0000 | |
| 506 | I | A | 0.0000 | |
| 507 | I | A | 0.0018 | |
| 508 | F | A | -0.0667 | |
| 509 | G | A | -0.3621 | |
| 510 | V | A | -0.2051 | |
| 511 | S | A | -0.2906 | |
| 512 | Y | A | 0.2600 | |
| 513 | D | A | -0.9536 | |
| 514 | E | A | -1.1219 | |
| 515 | Y | A | -0.1825 | |
| 516 | R | A | -1.2175 | |
| 517 | Y | A | 0.0000 | |
| 518 | R | A | -2.5994 | |
| 519 | S | A | -1.5630 | |
| 520 | V | A | 0.0000 | |
| 521 | I | A | 0.0000 | |
| 522 | K | A | -2.9839 | |
| 523 | A | A | 0.0000 | |
| 524 | C | A | 0.0000 | |
| 525 | Q | A | -2.0728 | |
| 526 | L | A | 0.0000 | |
| 527 | E | A | -3.6150 | |
| 528 | E | A | -3.4913 | |
| 529 | D | A | -2.5161 | |
| 530 | I | A | 0.0000 | |
| 531 | S | A | -2.7052 | |
| 532 | K | A | -2.9869 | |
| 533 | F | A | 0.0000 | |
| 534 | A | A | -1.7789 | |
| 535 | E | A | -2.7759 | |
| 536 | K | A | -3.1558 | |
| 537 | D | A | -2.2965 | |
| 538 | N | A | -2.1589 | |
| 539 | I | A | -0.8417 | |
| 540 | V | A | 0.4961 | |
| 541 | L | A | 0.0000 | |
| 542 | G | A | -0.8677 | |
| 543 | E | A | -2.0435 | |
| 544 | G | A | -1.1838 | |
| 545 | G | A | -0.3529 | |
| 546 | I | A | 0.2642 | |
| 547 | T | A | -0.3874 | |
| 548 | L | A | 0.0000 | |
| 549 | S | A | -0.4989 | |
| 550 | G | A | -0.4209 | |
| 551 | G | A | -0.2858 | |
| 552 | Q | A | -0.5090 | |
| 553 | R | A | -0.3426 | |
| 554 | A | A | 0.0000 | |
| 555 | R | A | -0.3962 | |
| 556 | I | A | 0.0000 | |
| 557 | S | A | 0.0000 | |
| 558 | L | A | 0.0000 | |
| 559 | A | A | 0.0000 | |
| 560 | R | A | 0.0000 | |
| 561 | A | A | 0.0000 | |
| 562 | V | A | 0.0000 | |
| 563 | Y | A | 0.0000 | |
| 564 | K | A | -1.1488 | |
| 565 | D | A | -2.0777 | |
| 566 | A | A | 0.0000 | |
| 567 | D | A | -1.4803 | |
| 568 | L | A | 0.0000 | |
| 569 | Y | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | L | A | 0.0000 | |
| 572 | D | A | 0.0000 | |
| 573 | S | A | -0.2240 | |
| 574 | P | A | 0.0000 | |
| 575 | F | A | 0.0000 | |
| 576 | G | A | -0.2284 | |
| 577 | Y | A | -0.0209 | |
| 578 | L | A | 0.0000 | |
| 579 | D | A | 0.0000 | |
| 580 | V | A | 0.0000 | |
| 581 | L | A | -0.3748 | |
| 582 | T | A | -0.7604 | |
| 583 | E | A | 0.0000 | |
| 584 | K | A | -1.7039 | |
| 585 | E | A | -2.0580 | |
| 586 | I | A | 0.0000 | |
| 587 | F | A | 0.0000 | |
| 588 | E | A | -2.2390 | |
| 589 | S | A | -1.7779 | |
| 590 | C | A | 0.0000 | |
| 591 | V | A | 0.0000 | |
| 592 | C | A | -1.5633 | |
| 593 | K | A | -1.8871 | |
| 594 | L | A | -0.9014 | |
| 595 | M | A | 0.0000 | |
| 596 | A | A | -1.3081 | |
| 597 | N | A | -1.8680 | |
| 598 | K | A | -1.7007 | |
| 599 | T | A | 0.0000 | |
| 600 | R | A | 0.0000 | |
| 601 | I | A | 0.0000 | |
| 602 | L | A | 0.0000 | |
| 603 | V | A | 0.0000 | |
| 604 | T | A | -0.1361 | |
| 605 | S | A | -0.0875 | |
| 606 | K | A | 0.0000 | |
| 607 | M | A | 0.0000 | |
| 608 | E | A | -1.3626 | |
| 609 | H | A | 0.0000 | |
| 610 | L | A | 0.0000 | |
| 611 | K | A | -2.8559 | |
| 612 | K | A | -2.8051 | |
| 613 | A | A | 0.0000 | |
| 614 | D | A | -2.0370 | |
| 615 | K | A | -1.5255 | |
| 616 | I | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | I | A | 0.0000 | |
| 619 | L | A | 0.0000 | |
| 620 | H | A | -0.9518 | |
| 621 | E | A | -2.0987 | |
| 622 | G | A | 0.0000 | |
| 623 | S | A | -1.1720 | |
| 624 | S | A | -0.3558 | |
| 625 | Y | A | 1.0880 | |
| 626 | F | A | 0.0000 | |
| 627 | Y | A | 0.3784 | |
| 628 | G | A | -0.4905 | |
| 629 | T | A | -1.5213 | |
| 630 | F | A | -1.7068 | |
| 631 | S | A | -1.6467 | |
| 632 | E | A | -1.9270 | |
| 633 | L | A | 0.0000 | |
| 634 | Q | A | -1.9845 | |
| 635 | N | A | -1.6392 | |
| 636 | L | A | 0.0819 | |
| 1 | Q | B | -1.7662 | |
| 2 | V | B | 0.0000 | |
| 3 | Q | B | -1.8483 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.4002 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.9868 | |
| 8 | G | B | -1.1351 | |
| 9 | G | B | -0.8371 | |
| 10 | G | B | 0.1007 | |
| 11 | L | B | 1.0536 | |
| 12 | V | B | 0.0934 | |
| 13 | Q | B | -1.1672 | |
| 14 | A | B | -1.5063 | |
| 15 | G | B | -1.3011 | |
| 16 | S | B | -1.0318 | |
| 17 | S | B | -1.3231 | |
| 18 | L | B | -0.9552 | |
| 19 | R | B | -2.0072 | |
| 20 | L | B | 0.0000 | |
| 21 | A | B | -0.7066 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.9463 | |
| 24 | A | B | 0.0000 | |
| 25 | T | B | -1.2542 | |
| 26 | G | B | -1.5086 | |
| 27 | S | B | -1.5096 | |
| 28 | I | B | -1.6016 | |
| 29 | R | B | -2.2636 | |
| 30 | S | B | -1.4902 | |
| 31 | I | B | 0.0000 | |
| 32 | N | B | -1.1606 | |
| 33 | N | B | -0.7911 | |
| 34 | M | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | Y | B | 0.0000 | |
| 38 | R | B | -1.1325 | |
| 39 | Q | B | -1.8351 | |
| 40 | A | B | -1.8140 | |
| 41 | P | B | -1.3882 | |
| 42 | G | B | -1.7927 | |
| 43 | K | B | -2.8760 | |
| 44 | Q | B | -2.6521 | |
| 45 | R | B | -1.8754 | |
| 46 | G | B | -1.0044 | |
| 47 | M | B | -0.0746 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | I | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | T | B | 0.0000 | |
| 53 | R | B | -1.3057 | |
| 54 | V | B | 0.6005 | |
| 55 | G | B | -0.2789 | |
| 56 | N | B | -0.7941 | |
| 57 | T | B | -0.4697 | |
| 58 | D | B | -0.6420 | |
| 59 | Y | B | -1.0781 | |
| 60 | A | B | -1.3257 | |
| 61 | D | B | -2.5003 | |
| 62 | S | B | -1.8177 | |
| 63 | V | B | 0.0000 | |
| 64 | K | B | -2.6426 | |
| 65 | G | B | -1.8619 | |
| 66 | R | B | -1.6617 | |
| 67 | F | B | 0.0000 | |
| 68 | T | B | -1.0112 | |
| 69 | I | B | 0.0000 | |
| 70 | S | B | -0.5341 | |
| 71 | R | B | -1.1149 | |
| 72 | D | B | -1.8389 | |
| 73 | N | B | -2.0892 | |
| 74 | A | B | -1.5392 | |
| 75 | K | B | -2.3561 | |
| 76 | N | B | -1.8570 | |
| 77 | T | B | -1.2673 | |
| 78 | V | B | 0.0000 | |
| 79 | Y | B | -0.5057 | |
| 80 | L | B | 0.0000 | |
| 81 | Q | B | -1.3807 | |
| 82 | M | B | 0.0000 | |
| 83 | N | B | -1.9107 | |
| 84 | S | B | -1.3225 | |
| 85 | L | B | 0.0000 | |
| 86 | K | B | -2.0992 | |
| 87 | P | B | -1.7966 | |
| 88 | E | B | -2.2741 | |
| 89 | D | B | 0.0000 | |
| 90 | T | B | -1.0013 | |
| 91 | A | B | 0.0000 | |
| 92 | T | B | -0.9920 | |
| 93 | Y | B | 0.0000 | |
| 94 | Y | B | -0.5224 | |
| 95 | C | B | 0.0000 | |
| 96 | H | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | E | B | 0.0000 | |
| 99 | I | B | 0.0000 | |
| 100 | T | B | 0.0000 | |
| 101 | E | B | -1.7303 | |
| 102 | Q | B | -2.0140 | |
| 103 | S | B | -1.3463 | |
| 104 | R | B | -0.9871 | |
| 105 | P | B | -0.0988 | |
| 106 | F | B | 0.3666 | |
| 107 | Y | B | 0.0090 | |
| 108 | L | B | 0.0000 | |
| 109 | T | B | -0.5834 | |
| 110 | D | B | -0.5310 | |
| 111 | D | B | -0.3547 | |
| 112 | Y | B | -0.0833 | |
| 113 | W | B | -0.2097 | |
| 114 | G | B | -0.8906 | |
| 115 | Q | B | -1.4460 | |
| 116 | G | B | 0.0000 | |
| 117 | T | B | -1.1791 | |
| 118 | Q | B | -1.2162 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | -0.3447 | |
| 121 | V | B | 0.0000 | |
| 122 | S | B | -0.7758 | |
| 1 | Q | C | -1.3394 | |
| 2 | V | C | 0.0000 | |
| 3 | Q | C | -1.9042 | |
| 4 | L | C | 0.0000 | |
| 5 | Q | C | -1.7714 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -1.0290 | |
| 8 | G | C | -1.0972 | |
| 9 | G | C | -0.7152 | |
| 10 | G | C | 0.1831 | |
| 11 | L | C | 1.0838 | |
| 12 | V | C | -0.0116 | |
| 13 | Q | C | -1.3012 | |
| 14 | A | C | -1.5671 | |
| 15 | G | C | -1.4492 | |
| 16 | G | C | -0.9895 | |
| 17 | S | C | -1.2505 | |
| 18 | L | C | -0.7850 | |
| 19 | R | C | -1.7240 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.7509 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -1.1505 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -1.4405 | |
| 26 | G | C | -1.2199 | |
| 27 | S | C | -0.7333 | |
| 28 | T | C | -0.5848 | |
| 29 | F | C | -0.3890 | |
| 30 | A | C | -0.0305 | |
| 31 | I | C | 0.0911 | |
| 32 | I | C | 0.0000 | |
| 33 | A | C | 0.0000 | |
| 34 | M | C | 0.0000 | |
| 35 | G | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | Y | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -1.6336 | |
| 40 | A | C | -1.6259 | |
| 41 | P | C | -1.2604 | |
| 42 | G | C | -1.7669 | |
| 43 | K | C | -2.9327 | |
| 44 | Q | C | -2.7666 | |
| 45 | R | C | -2.1547 | |
| 46 | E | C | -1.7888 | |
| 47 | L | C | -0.6315 | |
| 48 | V | C | 0.0000 | |
| 49 | A | C | 0.0000 | |
| 50 | V | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | S | C | 0.0000 | |
| 53 | T | C | -0.5144 | |
| 54 | G | C | -0.6460 | |
| 55 | D | C | -0.3712 | |
| 56 | T | C | -0.1777 | |
| 57 | R | C | 0.0000 | |
| 58 | Y | C | -0.7265 | |
| 59 | A | C | -1.2155 | |
| 60 | D | C | -2.3195 | |
| 61 | S | C | -1.6526 | |
| 62 | V | C | 0.0000 | |
| 63 | K | C | -2.3675 | |
| 64 | G | C | -1.6608 | |
| 65 | R | C | -1.2978 | |
| 66 | F | C | 0.0000 | |
| 67 | T | C | -0.7661 | |
| 68 | I | C | 0.0000 | |
| 69 | S | C | -0.6347 | |
| 70 | R | C | -1.4633 | |
| 71 | D | C | -2.2627 | |
| 72 | N | C | -2.4252 | |
| 73 | A | C | -1.7986 | |
| 74 | K | C | -2.6630 | |
| 75 | N | C | -1.9736 | |
| 76 | T | C | 0.0000 | |
| 77 | V | C | 0.0000 | |
| 78 | Y | C | -0.5792 | |
| 79 | L | C | 0.0000 | |
| 80 | Q | C | -1.0998 | |
| 81 | M | C | 0.0000 | |
| 82 | D | C | -1.6382 | |
| 83 | S | C | -1.3897 | |
| 84 | L | C | 0.0000 | |
| 85 | R | C | -2.4531 | |
| 86 | P | C | -1.9115 | |
| 87 | E | C | -2.3391 | |
| 88 | D | C | 0.0000 | |
| 89 | T | C | -0.9321 | |
| 90 | A | C | 0.0000 | |
| 91 | V | C | -0.5642 | |
| 92 | Y | C | 0.0000 | |
| 93 | Y | C | -0.5743 | |
| 94 | C | C | 0.0000 | |
| 95 | N | C | 0.0000 | |
| 96 | A | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | V | C | 0.0000 | |
| 99 | Q | C | -1.3811 | |
| 100 | V | C | 0.0000 | |
| 101 | R | C | -2.8284 | |
| 102 | D | C | -2.9090 | |
| 103 | Y | C | -1.6208 | |
| 104 | R | C | -1.9144 | |
| 105 | N | C | -0.6903 | |
| 106 | Y | C | -0.5975 | |
| 107 | W | C | -0.1972 | |
| 108 | G | C | 0.0000 | |
| 109 | Q | C | -1.4810 | |
| 110 | G | C | -1.0245 | |
| 111 | T | C | -1.0767 | |
| 112 | Q | C | -0.9816 | |
| 113 | V | C | 0.0000 | |
| 114 | T | C | -0.3287 | |
| 115 | V | C | 0.0000 | |
| 116 | S | C | -0.8913 | |
| 117 | S | C | -1.0738 |
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