| Chain sequence(s) |
A: TGSFNFGIGYGTESGVSFQAGVQQDNWLGTGYAVGINGTKNDYQTYAELSVTNPYFTVDGVSLGGRLFYNDFQADDADLSDYTNKSYGTDVTLGFPINEYNSLRAGLGYVHNSLSNMQPQVAMWRYLYSMGEHPSTSDQDNSFKTDDFTFNYGWTYNKLDRGYFPTDGSRVNLTGKVTIPGSDNEYYKVTLDTATYVPIDDDHKWVVLGRTRWGYGDGLGGKEMPFYENFYAGGSSTVRGFQSNTIGPKAVYFPHQASNYDPDYDYECATQDGAKDLCKSDDAVGGNAMAVASLEFITPTPFISDKYANSVRTSFFWDMGTVWDTNWDSSQYSGYPDYSDPSNIRMSAGIALQWMSPLGPLVFSYAQPFKKYDGDKAEQFQFNIGKT
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | Used: no changes made |
| Dynamic mode | No |
| Automated mutations | No |
| 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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB: Running AlphaCutter (00:00:01)
[INFO] PDB: AlphaCutter did not cut any residues. The original structure will be used
for analysis. (00:00:31)
[INFO] FoldX: Starting FoldX energy minimization (00:00:31)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:55)
[INFO] Main: Simulation completed successfully. (00:03:57)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 423 | T | A | -0.1567 | |
| 424 | G | A | -0.5337 | |
| 425 | S | A | 0.1127 | |
| 426 | F | A | 1.7787 | |
| 427 | N | A | -0.5592 | |
| 428 | F | A | 1.6834 | |
| 429 | G | A | 0.5528 | |
| 430 | I | A | 2.1036 | |
| 431 | G | A | 0.0000 | |
| 432 | Y | A | 1.1691 | |
| 433 | G | A | 0.0000 | |
| 434 | T | A | -0.0827 | |
| 435 | E | A | -0.2962 | |
| 436 | S | A | 0.0000 | |
| 437 | G | A | 0.0622 | |
| 438 | V | A | 0.9678 | |
| 439 | S | A | 0.0000 | |
| 440 | F | A | 1.0498 | |
| 441 | Q | A | -0.0950 | |
| 442 | A | A | 0.2433 | |
| 443 | G | A | 0.0339 | |
| 444 | V | A | 0.9290 | |
| 445 | Q | A | -0.4035 | |
| 446 | Q | A | -0.7391 | |
| 447 | D | A | -1.9641 | |
| 448 | N | A | -0.9188 | |
| 449 | W | A | 0.8501 | |
| 450 | L | A | 1.5897 | |
| 451 | G | A | -0.1936 | |
| 452 | T | A | -0.1837 | |
| 453 | G | A | -0.1720 | |
| 454 | Y | A | 0.3174 | |
| 455 | A | A | -0.1947 | |
| 456 | V | A | 0.3114 | |
| 457 | G | A | 0.3033 | |
| 458 | I | A | 2.0611 | |
| 459 | N | A | 0.0483 | |
| 460 | G | A | -0.1411 | |
| 461 | T | A | -0.2462 | |
| 462 | K | A | -1.0199 | |
| 463 | N | A | 0.0000 | |
| 464 | D | A | -1.7384 | |
| 465 | Y | A | -0.2887 | |
| 466 | Q | A | -0.2503 | |
| 467 | T | A | -0.1822 | |
| 468 | Y | A | 0.2039 | |
| 469 | A | A | -0.0057 | |
| 470 | E | A | -0.1252 | |
| 471 | L | A | 1.0521 | |
| 472 | S | A | 0.1512 | |
| 473 | V | A | 0.7139 | |
| 474 | T | A | 0.0764 | |
| 475 | N | A | -0.1088 | |
| 476 | P | A | 0.1278 | |
| 477 | Y | A | 1.6514 | |
| 478 | F | A | 2.1814 | |
| 479 | T | A | 0.7929 | |
| 480 | V | A | 1.4394 | |
| 481 | D | A | -1.4798 | |
| 482 | G | A | -0.2315 | |
| 483 | V | A | 0.2723 | |
| 484 | S | A | 0.0464 | |
| 485 | L | A | 0.2934 | |
| 486 | G | A | 0.0767 | |
| 487 | G | A | -0.1180 | |
| 488 | R | A | -0.4051 | |
| 489 | L | A | 1.4488 | |
| 490 | F | A | 0.5860 | |
| 491 | Y | A | 0.8392 | |
| 492 | N | A | -0.0653 | |
| 493 | D | A | -0.3820 | |
| 494 | F | A | 0.0858 | |
| 495 | Q | A | -0.4017 | |
| 496 | A | A | 0.0000 | |
| 497 | D | A | -2.1364 | |
| 498 | D | A | -1.7722 | |
| 499 | A | A | 0.0000 | |
| 500 | D | A | -0.7775 | |
| 501 | L | A | 0.0000 | |
| 502 | S | A | 0.0000 | |
| 503 | D | A | -0.8749 | |
| 504 | Y | A | 0.0000 | |
| 505 | T | A | -0.0548 | |
| 506 | N | A | 0.0000 | |
| 507 | K | A | -1.2614 | |
| 508 | S | A | 0.0000 | |
| 509 | Y | A | 1.2868 | |
| 510 | G | A | 0.0000 | |
| 511 | T | A | 0.1434 | |
| 512 | D | A | -0.0777 | |
| 513 | V | A | 1.0761 | |
| 514 | T | A | 0.2744 | |
| 515 | L | A | 0.5306 | |
| 516 | G | A | -0.0078 | |
| 517 | F | A | 0.3969 | |
| 518 | P | A | 0.1393 | |
| 519 | I | A | 1.3410 | |
| 520 | N | A | -1.3012 | |
| 521 | E | A | -1.9060 | |
| 522 | Y | A | 0.4155 | |
| 523 | N | A | -0.0488 | |
| 524 | S | A | -0.1058 | |
| 525 | L | A | 0.2191 | |
| 526 | R | A | -0.4417 | |
| 527 | A | A | 0.0196 | |
| 528 | G | A | 0.0577 | |
| 529 | L | A | 0.6579 | |
| 530 | G | A | 0.0000 | |
| 531 | Y | A | 0.4315 | |
| 532 | V | A | 0.3048 | |
| 533 | H | A | -0.1946 | |
| 534 | N | A | 0.0000 | |
| 535 | S | A | -0.2922 | |
| 536 | L | A | 0.0000 | |
| 537 | S | A | -0.3051 | |
| 538 | N | A | -1.2808 | |
| 539 | M | A | 0.0000 | |
| 540 | Q | A | -0.1430 | |
| 541 | P | A | 0.0000 | |
| 542 | Q | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | A | A | 0.0061 | |
| 545 | M | A | 0.0000 | |
| 546 | W | A | 0.0000 | |
| 547 | R | A | -0.2871 | |
| 548 | Y | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | Y | A | 0.7646 | |
| 551 | S | A | 0.0720 | |
| 552 | M | A | 0.0454 | |
| 553 | G | A | -0.5817 | |
| 554 | E | A | -1.0333 | |
| 555 | H | A | -1.1380 | |
| 556 | P | A | -0.2459 | |
| 557 | S | A | -0.1401 | |
| 558 | T | A | -0.0582 | |
| 559 | S | A | -0.2990 | |
| 560 | D | A | -1.2205 | |
| 561 | Q | A | -0.6917 | |
| 562 | D | A | -1.8421 | |
| 563 | N | A | -0.5116 | |
| 564 | S | A | -0.2059 | |
| 565 | F | A | -0.1405 | |
| 566 | K | A | -1.6652 | |
| 567 | T | A | 0.0000 | |
| 568 | D | A | -0.9258 | |
| 569 | D | A | 0.0000 | |
| 570 | F | A | 1.2874 | |
| 571 | T | A | 0.0000 | |
| 572 | F | A | 0.9565 | |
| 573 | N | A | 0.0346 | |
| 574 | Y | A | 0.6766 | |
| 575 | G | A | 0.0000 | |
| 576 | W | A | 0.4077 | |
| 577 | T | A | 0.0363 | |
| 578 | Y | A | 0.0546 | |
| 579 | N | A | -1.3474 | |
| 580 | K | A | -1.0964 | |
| 581 | L | A | -0.2960 | |
| 582 | D | A | -2.0903 | |
| 583 | R | A | -2.2612 | |
| 584 | G | A | -0.6893 | |
| 585 | Y | A | 0.5977 | |
| 586 | F | A | 0.3515 | |
| 587 | P | A | 0.0000 | |
| 588 | T | A | -0.1598 | |
| 589 | D | A | -0.8174 | |
| 590 | G | A | -0.2015 | |
| 591 | S | A | -0.2296 | |
| 592 | R | A | -1.0795 | |
| 593 | V | A | -0.0271 | |
| 594 | N | A | -0.3567 | |
| 595 | L | A | 0.4465 | |
| 596 | T | A | 0.0273 | |
| 597 | G | A | -0.0840 | |
| 598 | K | A | -0.3914 | |
| 599 | V | A | 0.5433 | |
| 600 | T | A | 0.0000 | |
| 601 | I | A | 0.5462 | |
| 602 | P | A | -0.2357 | |
| 603 | G | A | -0.5133 | |
| 604 | S | A | 0.0000 | |
| 605 | D | A | -1.1733 | |
| 606 | N | A | 0.0000 | |
| 607 | E | A | -0.6420 | |
| 608 | Y | A | 0.0000 | |
| 609 | Y | A | 0.3483 | |
| 610 | K | A | -0.1344 | |
| 611 | V | A | 0.5484 | |
| 612 | T | A | 0.1724 | |
| 613 | L | A | 0.4083 | |
| 614 | D | A | -0.2509 | |
| 615 | T | A | -0.0307 | |
| 616 | A | A | 0.0000 | |
| 617 | T | A | 0.0030 | |
| 618 | Y | A | 0.2880 | |
| 619 | V | A | 1.2860 | |
| 620 | P | A | 0.5404 | |
| 621 | I | A | 1.9195 | |
| 622 | D | A | -0.4166 | |
| 623 | D | A | -2.2020 | |
| 624 | D | A | -2.2093 | |
| 625 | H | A | -1.0580 | |
| 626 | K | A | -1.2526 | |
| 627 | W | A | 0.2859 | |
| 628 | V | A | 0.0000 | |
| 629 | V | A | 0.9444 | |
| 630 | L | A | 0.2660 | |
| 631 | G | A | -0.0870 | |
| 632 | R | A | -0.4496 | |
| 633 | T | A | -0.1983 | |
| 634 | R | A | -0.4030 | |
| 635 | W | A | 0.4727 | |
| 636 | G | A | 0.0000 | |
| 637 | Y | A | 0.3989 | |
| 638 | G | A | 0.0000 | |
| 639 | D | A | -0.3256 | |
| 640 | G | A | 0.1223 | |
| 641 | L | A | 1.3516 | |
| 642 | G | A | -0.2851 | |
| 643 | G | A | -0.6276 | |
| 644 | K | A | -0.4940 | |
| 645 | E | A | 0.0000 | |
| 646 | M | A | 0.0000 | |
| 647 | P | A | 0.0000 | |
| 648 | F | A | 0.0000 | |
| 649 | Y | A | 0.1204 | |
| 650 | E | A | -0.2950 | |
| 651 | N | A | -0.2344 | |
| 652 | F | A | 0.0000 | |
| 653 | Y | A | 0.2671 | |
| 654 | A | A | 0.0000 | |
| 655 | G | A | 0.0000 | |
| 656 | G | A | 0.0000 | |
| 657 | S | A | -0.0679 | |
| 658 | S | A | -0.2205 | |
| 659 | T | A | -0.0515 | |
| 660 | V | A | 0.0000 | |
| 661 | R | A | -0.1983 | |
| 662 | G | A | 0.0000 | |
| 663 | F | A | 0.0000 | |
| 664 | Q | A | -0.2704 | |
| 665 | S | A | -0.0875 | |
| 666 | N | A | -0.2011 | |
| 667 | T | A | 0.0000 | |
| 668 | I | A | 0.0000 | |
| 669 | G | A | 0.0000 | |
| 670 | P | A | 0.0000 | |
| 671 | K | A | 0.0000 | |
| 672 | A | A | 0.0000 | |
| 673 | V | A | 0.0000 | |
| 674 | Y | A | 0.0000 | |
| 675 | F | A | 0.2667 | |
| 676 | P | A | 0.0085 | |
| 677 | H | A | 0.0000 | |
| 678 | Q | A | -0.9882 | |
| 679 | A | A | 0.0000 | |
| 680 | S | A | -0.4472 | |
| 681 | N | A | -1.2596 | |
| 682 | Y | A | -0.2876 | |
| 683 | D | A | -1.7839 | |
| 684 | P | A | -0.9105 | |
| 685 | D | A | -1.5959 | |
| 686 | Y | A | 0.6598 | |
| 687 | D | A | -1.4982 | |
| 688 | Y | A | -0.2578 | |
| 689 | E | A | -1.0207 | |
| 690 | C | A | 0.0000 | |
| 691 | A | A | 0.0000 | |
| 692 | T | A | -0.2209 | |
| 693 | Q | A | -1.4397 | |
| 694 | D | A | -2.0787 | |
| 695 | G | A | -0.7947 | |
| 696 | A | A | -0.3936 | |
| 697 | K | A | -2.0269 | |
| 698 | D | A | -2.0431 | |
| 699 | L | A | 0.0571 | |
| 700 | C | A | -0.0235 | |
| 701 | K | A | -1.6618 | |
| 702 | S | A | -0.6670 | |
| 703 | D | A | -1.8677 | |
| 704 | D | A | -0.6574 | |
| 705 | A | A | 0.0000 | |
| 706 | V | A | 0.0000 | |
| 707 | G | A | 0.0000 | |
| 708 | G | A | 0.0000 | |
| 709 | N | A | 0.0000 | |
| 710 | A | A | 0.0000 | |
| 711 | M | A | 0.0000 | |
| 712 | A | A | 0.0826 | |
| 713 | V | A | 0.0000 | |
| 714 | A | A | 0.0069 | |
| 715 | S | A | 0.0000 | |
| 716 | L | A | 1.0694 | |
| 717 | E | A | 0.1775 | |
| 718 | F | A | 0.9011 | |
| 719 | I | A | 0.0000 | |
| 720 | T | A | 0.0000 | |
| 721 | P | A | -0.0972 | |
| 722 | T | A | 0.0000 | |
| 723 | P | A | 0.0951 | |
| 724 | F | A | 1.9706 | |
| 725 | I | A | 0.7285 | |
| 726 | S | A | -0.4663 | |
| 727 | D | A | -2.1388 | |
| 728 | K | A | -1.7872 | |
| 729 | Y | A | 1.0059 | |
| 730 | A | A | -0.2085 | |
| 731 | N | A | -1.3031 | |
| 732 | S | A | -0.3728 | |
| 733 | V | A | 0.1538 | |
| 734 | R | A | -0.2032 | |
| 735 | T | A | 0.0000 | |
| 736 | S | A | 0.0000 | |
| 737 | F | A | 1.2915 | |
| 738 | F | A | 0.0000 | |
| 739 | W | A | 0.4788 | |
| 740 | D | A | 0.0000 | |
| 741 | M | A | 0.2164 | |
| 742 | G | A | 0.0000 | |
| 743 | T | A | 0.0000 | |
| 744 | V | A | 0.0000 | |
| 745 | W | A | 0.1424 | |
| 746 | D | A | 0.0000 | |
| 747 | T | A | -0.1297 | |
| 748 | N | A | -0.4357 | |
| 749 | W | A | 0.0000 | |
| 750 | D | A | -0.9638 | |
| 751 | S | A | -0.3528 | |
| 752 | S | A | -0.4592 | |
| 753 | Q | A | -1.1903 | |
| 754 | Y | A | -0.0013 | |
| 755 | S | A | -0.2517 | |
| 756 | G | A | -0.4654 | |
| 757 | Y | A | 0.1027 | |
| 758 | P | A | -0.3115 | |
| 759 | D | A | -0.9900 | |
| 760 | Y | A | -0.0327 | |
| 761 | S | A | -0.1453 | |
| 762 | D | A | -0.6945 | |
| 763 | P | A | -0.3050 | |
| 764 | S | A | -0.2929 | |
| 765 | N | A | -0.1727 | |
| 766 | I | A | 0.7988 | |
| 767 | R | A | 0.0000 | |
| 768 | M | A | 0.1696 | |
| 769 | S | A | 0.0000 | |
| 770 | A | A | 0.0616 | |
| 771 | G | A | 0.0668 | |
| 772 | I | A | 0.9331 | |
| 773 | A | A | 0.0000 | |
| 774 | L | A | 0.1790 | |
| 775 | Q | A | -0.2801 | |
| 776 | W | A | 0.4405 | |
| 777 | M | A | 0.9770 | |
| 778 | S | A | 0.0899 | |
| 779 | P | A | 0.0244 | |
| 780 | L | A | 1.4891 | |
| 781 | G | A | 0.1909 | |
| 782 | P | A | -0.0639 | |
| 783 | L | A | 0.0000 | |
| 784 | V | A | 0.6512 | |
| 785 | F | A | 0.6061 | |
| 786 | S | A | 0.0000 | |
| 787 | Y | A | 1.4632 | |
| 788 | A | A | 0.0000 | |
| 789 | Q | A | -1.2053 | |
| 790 | P | A | -0.0266 | |
| 791 | F | A | 0.9502 | |
| 792 | K | A | -1.6430 | |
| 793 | K | A | -1.5672 | |
| 794 | Y | A | 0.1353 | |
| 795 | D | A | -1.6792 | |
| 796 | G | A | -0.6432 | |
| 797 | D | A | 0.0000 | |
| 798 | K | A | -0.9057 | |
| 799 | A | A | -0.3267 | |
| 800 | E | A | -1.2546 | |
| 801 | Q | A | -0.6770 | |
| 802 | F | A | 1.3369 | |
| 803 | Q | A | 0.0000 | |
| 804 | F | A | 0.4264 | |
| 805 | N | A | 0.0034 | |
| 806 | I | A | 0.3711 | |
| 807 | G | A | -0.3646 | |
| 808 | K | A | -1.7296 | |
| 809 | T | A | -0.3834 |
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