| Chain sequence(s) |
A: AMAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLK
C: AMAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLK B: AMAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLK D: AMAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTL input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VQ682B,LK571B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.85866 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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 all 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] FoldX: Building mutant model (00:04:03)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:16)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:30)
[INFO] Main: Simulation completed successfully. (00:09:35)
|
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 | |
| 565 | A | A | -0.3368 | |
| 566 | M | A | -0.3512 | |
| 567 | A | A | 0.0000 | |
| 568 | P | A | 0.0000 | |
| 569 | P | A | 0.0257 | |
| 570 | T | A | -0.0330 | |
| 571 | L | A | 0.0000 | |
| 572 | P | A | 0.0000 | |
| 573 | P | A | 0.0000 | |
| 574 | Y | A | 0.0000 | |
| 575 | F | A | 0.0000 | |
| 576 | M | A | -1.1479 | |
| 577 | K | A | -2.0708 | |
| 578 | G | A | 0.0000 | |
| 579 | S | A | 0.0000 | |
| 580 | I | A | -0.6847 | |
| 581 | I | A | 0.0000 | |
| 582 | Q | A | -1.2960 | |
| 583 | L | A | 0.0000 | |
| 584 | A | A | -0.9764 | |
| 585 | N | A | -1.6452 | |
| 586 | G | A | -1.5492 | |
| 587 | E | A | -1.3927 | |
| 588 | L | A | -0.1429 | |
| 589 | K | A | -1.1992 | |
| 590 | K | A | -1.6690 | |
| 591 | V | A | 0.0000 | |
| 592 | E | A | -2.2002 | |
| 593 | D | A | -2.7899 | |
| 594 | L | A | 0.0000 | |
| 595 | K | A | -2.4185 | |
| 596 | T | A | -1.3490 | |
| 597 | E | A | -2.1441 | |
| 598 | D | A | -2.3264 | |
| 599 | F | A | 0.0000 | |
| 600 | I | A | -1.0468 | |
| 601 | Q | A | -1.3875 | |
| 602 | S | A | -1.0957 | |
| 603 | A | A | 0.0000 | |
| 604 | E | A | -1.5653 | |
| 605 | I | A | 0.1516 | |
| 606 | S | A | -1.2583 | |
| 607 | N | A | -2.3584 | |
| 608 | D | A | -2.9387 | |
| 609 | L | A | 0.0000 | |
| 610 | K | A | -2.1838 | |
| 611 | I | A | -0.8268 | |
| 612 | D | A | -0.8376 | |
| 613 | S | A | -0.2612 | |
| 614 | S | A | 0.0000 | |
| 615 | T | A | -0.3662 | |
| 616 | V | A | 0.0000 | |
| 617 | E | A | -1.5313 | |
| 618 | R | A | -2.0870 | |
| 619 | I | A | -1.3801 | |
| 620 | E | A | -2.9089 | |
| 621 | D | A | -2.7534 | |
| 622 | S | A | -1.8143 | |
| 623 | H | A | -1.7167 | |
| 624 | S | A | -0.9966 | |
| 625 | P | A | -0.7242 | |
| 626 | G | A | -0.4982 | |
| 627 | V | A | -0.7303 | |
| 628 | A | A | 0.0000 | |
| 629 | V | A | -1.3821 | |
| 630 | I | A | 0.0000 | |
| 631 | Q | A | -1.4514 | |
| 632 | F | A | 0.0000 | |
| 633 | A | A | 0.0000 | |
| 634 | V | A | 0.0000 | |
| 635 | G | A | -1.9761 | |
| 636 | E | A | -2.9953 | |
| 637 | H | A | -2.8762 | |
| 638 | R | A | -3.1459 | |
| 639 | A | A | -1.9916 | |
| 640 | Q | A | -1.8785 | |
| 641 | V | A | -0.8186 | |
| 642 | S | A | -0.7466 | |
| 643 | V | A | 0.0000 | |
| 644 | E | A | -0.9689 | |
| 645 | V | A | 0.0000 | |
| 646 | L | A | 0.0502 | |
| 647 | V | A | -0.1333 | |
| 648 | E | A | 0.0000 | |
| 649 | Y | A | 0.2882 | |
| 650 | P | A | 0.0000 | |
| 651 | F | A | 0.0000 | |
| 652 | F | A | 0.0000 | |
| 653 | V | A | 0.0000 | |
| 654 | F | A | 1.0694 | |
| 655 | G | A | -0.4524 | |
| 656 | Q | A | -0.8811 | |
| 657 | G | A | -0.9263 | |
| 658 | W | A | 0.0000 | |
| 659 | S | A | 0.0000 | |
| 660 | S | A | 0.0000 | |
| 661 | C | A | -0.8184 | |
| 662 | C | A | -0.8260 | |
| 663 | P | A | -1.8076 | |
| 664 | E | A | -2.7350 | |
| 665 | R | A | -1.8355 | |
| 666 | T | A | 0.0000 | |
| 667 | S | A | -2.4783 | |
| 668 | Q | A | -2.4400 | |
| 669 | L | A | 0.0000 | |
| 670 | F | A | 0.0000 | |
| 671 | D | A | -2.9155 | |
| 672 | L | A | 0.0000 | |
| 673 | P | A | -1.5601 | |
| 674 | C | A | -1.2463 | |
| 675 | S | A | -1.3689 | |
| 676 | K | A | -1.9493 | |
| 677 | L | A | 0.0000 | |
| 678 | S | A | -0.0859 | |
| 679 | V | A | 0.7777 | |
| 680 | G | A | -0.0498 | |
| 681 | D | A | 0.0000 | |
| 682 | V | A | 0.8369 | |
| 683 | C | A | 0.0000 | |
| 684 | I | A | 0.0000 | |
| 685 | S | A | 0.0531 | |
| 686 | L | A | 0.0000 | |
| 687 | T | A | -0.9023 | |
| 688 | L | A | -1.4753 | |
| 689 | K | A | -2.5617 | |
| 565 | A | B | -0.2953 | |
| 566 | M | B | -0.2433 | |
| 567 | A | B | 0.0000 | |
| 568 | P | B | 0.0000 | |
| 569 | P | B | 0.0000 | |
| 570 | T | B | 0.0000 | |
| 571 | K | B | -0.2958 | mutated: LK571B |
| 572 | P | B | 0.0000 | |
| 573 | P | B | -0.1747 | |
| 574 | Y | B | 0.0000 | |
| 575 | F | B | 0.0000 | |
| 576 | M | B | 0.0000 | |
| 577 | K | B | -1.6303 | |
| 578 | G | B | -1.3478 | |
| 579 | S | B | 0.0000 | |
| 580 | I | B | -0.9997 | |
| 581 | I | B | 0.0000 | |
| 582 | Q | B | -1.2349 | |
| 583 | L | B | 0.0000 | |
| 584 | A | B | -1.3022 | |
| 585 | N | B | -1.9206 | |
| 586 | G | B | -1.8862 | |
| 587 | E | B | -2.2736 | |
| 588 | L | B | -1.2278 | |
| 589 | K | B | -1.9174 | |
| 590 | K | B | -2.6109 | |
| 591 | V | B | 0.0000 | |
| 592 | E | B | -3.1377 | |
| 593 | D | B | -3.0870 | |
| 594 | L | B | 0.0000 | |
| 595 | K | B | -1.1859 | |
| 596 | T | B | 0.0000 | |
| 597 | E | B | 0.0000 | |
| 598 | D | B | 0.0000 | |
| 599 | F | B | 0.0000 | |
| 600 | I | B | -0.4698 | |
| 601 | Q | B | -1.2174 | |
| 602 | S | B | 0.0000 | |
| 603 | A | B | -1.1827 | |
| 604 | E | B | -1.8063 | |
| 605 | I | B | -0.6415 | |
| 606 | S | B | -1.0839 | |
| 607 | N | B | -2.0498 | |
| 608 | D | B | -2.0709 | |
| 609 | L | B | 0.0000 | |
| 610 | K | B | -1.3965 | |
| 611 | I | B | -0.4470 | |
| 612 | D | B | -0.7863 | |
| 613 | S | B | -0.5585 | |
| 614 | S | B | 0.0000 | |
| 615 | T | B | 0.0000 | |
| 616 | V | B | 0.0000 | |
| 617 | E | B | 0.0000 | |
| 618 | R | B | -1.3409 | |
| 619 | I | B | -1.1830 | |
| 620 | E | B | -2.8201 | |
| 621 | D | B | -2.8969 | |
| 622 | S | B | -2.0458 | |
| 623 | H | B | -1.6907 | |
| 624 | S | B | -1.2023 | |
| 625 | P | B | -0.8927 | |
| 626 | G | B | -0.5967 | |
| 627 | V | B | -1.1004 | |
| 628 | A | B | 0.0000 | |
| 629 | V | B | -1.6570 | |
| 630 | I | B | 0.0000 | |
| 631 | Q | B | -1.3037 | |
| 632 | F | B | 0.0000 | |
| 633 | A | B | 0.0000 | |
| 634 | V | B | -0.9640 | |
| 635 | G | B | -1.5696 | |
| 636 | E | B | -2.5413 | |
| 637 | H | B | -2.2821 | |
| 638 | R | B | -1.8350 | |
| 639 | A | B | -1.3399 | |
| 640 | Q | B | -1.4134 | |
| 641 | V | B | -0.5305 | |
| 642 | S | B | -0.8644 | |
| 643 | V | B | 0.0000 | |
| 644 | E | B | -1.9934 | |
| 645 | V | B | 0.0000 | |
| 646 | L | B | -0.0848 | |
| 647 | V | B | -0.1967 | |
| 648 | E | B | 0.0000 | |
| 649 | Y | B | 0.0000 | |
| 650 | P | B | 0.0000 | |
| 651 | F | B | 0.0000 | |
| 652 | F | B | 0.0000 | |
| 653 | V | B | 0.0000 | |
| 654 | F | B | 0.0000 | |
| 655 | G | B | 0.0000 | |
| 656 | Q | B | -0.8005 | |
| 657 | G | B | 0.0000 | |
| 658 | W | B | 0.0000 | |
| 659 | S | B | 0.0000 | |
| 660 | S | B | 0.0000 | |
| 661 | C | B | -0.8015 | |
| 662 | C | B | -0.9248 | |
| 663 | P | B | -1.7144 | |
| 664 | E | B | -2.8255 | |
| 665 | R | B | -2.0521 | |
| 666 | T | B | 0.0000 | |
| 667 | S | B | -2.2780 | |
| 668 | Q | B | -2.6812 | |
| 669 | L | B | 0.0000 | |
| 670 | F | B | 0.0000 | |
| 671 | D | B | -2.8753 | |
| 672 | L | B | 0.0000 | |
| 673 | P | B | -1.4630 | |
| 674 | C | B | -1.3879 | |
| 675 | S | B | -1.4675 | |
| 676 | K | B | -2.1034 | |
| 677 | L | B | 0.0000 | |
| 678 | S | B | -0.5307 | |
| 679 | V | B | -0.2798 | |
| 680 | G | B | -0.6914 | |
| 681 | D | B | 0.0000 | |
| 682 | Q | B | -0.3433 | mutated: VQ682B |
| 683 | C | B | 0.0000 | |
| 684 | I | B | 0.0000 | |
| 685 | S | B | 0.0000 | |
| 686 | L | B | 0.0000 | |
| 687 | T | B | 0.0000 | |
| 688 | L | B | -1.3349 | |
| 689 | K | B | -2.1307 | |
| 565 | A | C | -0.1469 | |
| 566 | M | C | -0.2113 | |
| 567 | A | C | 0.0000 | |
| 568 | P | C | 0.0000 | |
| 569 | P | C | 0.0745 | |
| 570 | T | C | 0.0241 | |
| 571 | L | C | 0.1958 | |
| 572 | P | C | 0.0000 | |
| 573 | P | C | 0.0000 | |
| 574 | Y | C | 0.0000 | |
| 575 | F | C | 0.0000 | |
| 576 | M | C | 0.0000 | |
| 577 | K | C | -1.9373 | |
| 578 | G | C | -1.2419 | |
| 579 | S | C | 0.0000 | |
| 580 | I | C | -0.4644 | |
| 581 | I | C | 0.0000 | |
| 582 | Q | C | -1.2227 | |
| 583 | L | C | 0.0000 | |
| 584 | A | C | -0.9023 | |
| 585 | N | C | -1.8238 | |
| 586 | G | C | -1.8542 | |
| 587 | E | C | -2.1163 | |
| 588 | L | C | -0.6077 | |
| 589 | K | C | -1.4929 | |
| 590 | K | C | -1.8386 | |
| 591 | V | C | 0.0000 | |
| 592 | E | C | -2.2989 | |
| 593 | D | C | -2.8715 | |
| 594 | L | C | 0.0000 | |
| 595 | K | C | -2.6117 | |
| 596 | T | C | -1.3327 | |
| 597 | E | C | -1.4303 | |
| 598 | D | C | -1.7685 | |
| 599 | F | C | 0.0000 | |
| 600 | I | C | 0.0000 | |
| 601 | Q | C | -0.6715 | |
| 602 | S | C | 0.0000 | |
| 603 | A | C | 0.0000 | |
| 604 | E | C | -0.3942 | |
| 605 | I | C | 0.2448 | |
| 606 | S | C | -1.0581 | |
| 607 | N | C | -2.2037 | |
| 608 | D | C | -2.6993 | |
| 609 | L | C | -1.6412 | |
| 610 | K | C | -1.3041 | |
| 611 | I | C | 0.0000 | |
| 612 | D | C | -0.4894 | |
| 613 | S | C | -0.1308 | |
| 614 | S | C | 0.0000 | |
| 615 | T | C | -0.3960 | |
| 616 | V | C | 0.0000 | |
| 617 | E | C | -2.0863 | |
| 618 | R | C | -2.4543 | |
| 619 | I | C | -1.6731 | |
| 620 | E | C | -2.9707 | |
| 621 | D | C | -2.8388 | |
| 622 | S | C | -1.8647 | |
| 623 | H | C | -1.7637 | |
| 624 | S | C | -1.0672 | |
| 625 | P | C | -0.7890 | |
| 626 | G | C | -0.4850 | |
| 627 | V | C | -0.7082 | |
| 628 | A | C | 0.0000 | |
| 629 | V | C | -1.3788 | |
| 630 | I | C | 0.0000 | |
| 631 | Q | C | -1.7414 | |
| 632 | F | C | 0.0000 | |
| 633 | A | C | -1.3323 | |
| 634 | V | C | 0.0000 | |
| 635 | G | C | 0.0000 | |
| 636 | E | C | -1.1006 | |
| 637 | H | C | -1.4130 | |
| 638 | R | C | -1.1956 | |
| 639 | A | C | -1.0945 | |
| 640 | Q | C | -1.5180 | |
| 641 | V | C | -0.5555 | |
| 642 | S | C | -0.7548 | |
| 643 | V | C | 0.0000 | |
| 644 | E | C | -0.9359 | |
| 645 | V | C | 0.0000 | |
| 646 | L | C | 0.3025 | |
| 647 | V | C | -0.1228 | |
| 648 | E | C | 0.0000 | |
| 649 | Y | C | 0.3022 | |
| 650 | P | C | 0.0000 | |
| 651 | F | C | 0.0000 | |
| 652 | F | C | 0.0000 | |
| 653 | V | C | 0.0000 | |
| 654 | F | C | 0.0555 | |
| 655 | G | C | -0.8380 | |
| 656 | Q | C | -1.0920 | |
| 657 | G | C | -1.1475 | |
| 658 | W | C | 0.0000 | |
| 659 | S | C | 0.0000 | |
| 660 | S | C | 0.0000 | |
| 661 | C | C | -0.6633 | |
| 662 | C | C | -0.9130 | |
| 663 | P | C | -1.8789 | |
| 664 | E | C | -2.8603 | |
| 665 | R | C | -2.0040 | |
| 666 | T | C | 0.0000 | |
| 667 | S | C | -2.4414 | |
| 668 | Q | C | -2.4573 | |
| 669 | L | C | 0.0000 | |
| 670 | F | C | 0.0000 | |
| 671 | D | C | -2.8353 | |
| 672 | L | C | 0.0000 | |
| 673 | P | C | -1.4305 | |
| 674 | C | C | -1.2138 | |
| 675 | S | C | -1.2765 | |
| 676 | K | C | -1.9593 | |
| 677 | L | C | 0.0000 | |
| 678 | S | C | -0.3608 | |
| 679 | V | C | 0.1834 | |
| 680 | G | C | -0.4165 | |
| 681 | D | C | -0.1940 | |
| 682 | V | C | 0.3567 | |
| 683 | C | C | 0.0000 | |
| 684 | I | C | 0.0000 | |
| 685 | S | C | -0.0848 | |
| 686 | L | C | 0.0000 | |
| 687 | T | C | 0.0000 | |
| 688 | L | C | -1.2289 | |
| 689 | K | C | -2.6410 | |
| 565 | A | D | 0.0671 | |
| 566 | M | D | 0.1840 | |
| 567 | A | D | 0.0000 | |
| 568 | P | D | 0.0000 | |
| 569 | P | D | 0.0000 | |
| 570 | T | D | 0.0000 | |
| 571 | L | D | 0.0000 | |
| 572 | P | D | 0.0000 | |
| 573 | P | D | -0.1740 | |
| 574 | Y | D | 0.0000 | |
| 575 | F | D | 0.0000 | |
| 576 | M | D | 0.0000 | |
| 577 | K | D | -1.8396 | |
| 578 | G | D | -1.1942 | |
| 579 | S | D | 0.0000 | |
| 580 | I | D | -0.4742 | |
| 581 | I | D | 0.0000 | |
| 582 | Q | D | -1.0070 | |
| 583 | L | D | 0.0000 | |
| 584 | A | D | -0.8172 | |
| 585 | N | D | -1.3285 | |
| 586 | G | D | -1.5878 | |
| 587 | E | D | -1.9860 | |
| 588 | L | D | -0.8756 | |
| 589 | K | D | -1.6040 | |
| 590 | K | D | -1.6241 | |
| 591 | V | D | 0.0000 | |
| 592 | E | D | -2.4811 | |
| 593 | D | D | -2.7575 | |
| 594 | L | D | 0.0000 | |
| 595 | K | D | -2.7313 | |
| 596 | T | D | 0.0000 | |
| 597 | E | D | -2.2750 | |
| 598 | D | D | 0.0000 | |
| 599 | F | D | 0.0000 | |
| 600 | I | D | -1.0737 | |
| 601 | Q | D | -1.2836 | |
| 602 | S | D | 0.0000 | |
| 603 | A | D | -1.5136 | |
| 604 | E | D | -1.7097 | |
| 605 | I | D | 0.2492 | |
| 606 | S | D | -0.8683 | |
| 607 | N | D | -1.8200 | |
| 608 | D | D | -1.7143 | |
| 609 | L | D | -1.3852 | |
| 610 | K | D | -1.9847 | |
| 611 | I | D | -1.0141 | |
| 612 | D | D | -1.0233 | |
| 613 | S | D | -0.4222 | |
| 614 | S | D | 0.0000 | |
| 615 | T | D | -0.3330 | |
| 616 | V | D | 0.0000 | |
| 617 | E | D | -1.2501 | |
| 618 | R | D | -1.8989 | |
| 619 | I | D | -1.2040 | |
| 620 | E | D | -2.7343 | |
| 621 | D | D | -2.7763 | |
| 622 | S | D | -1.8502 | |
| 623 | H | D | -1.5472 | |
| 624 | S | D | -1.0370 | |
| 625 | P | D | -0.8103 | |
| 626 | G | D | -0.5901 | |
| 627 | V | D | 0.0000 | |
| 628 | A | D | 0.0000 | |
| 629 | V | D | -1.1965 | |
| 630 | I | D | 0.0000 | |
| 631 | Q | D | -1.3373 | |
| 632 | F | D | 0.0000 | |
| 633 | A | D | -1.4876 | |
| 634 | V | D | -1.2337 | |
| 635 | G | D | -1.7885 | |
| 636 | E | D | -2.8414 | |
| 637 | H | D | -2.8639 | |
| 638 | R | D | -2.9218 | |
| 639 | A | D | -1.8411 | |
| 640 | Q | D | -1.7459 | |
| 641 | V | D | -0.8018 | |
| 642 | S | D | -0.7419 | |
| 643 | V | D | 0.0000 | |
| 644 | E | D | -0.8784 | |
| 645 | V | D | 0.0000 | |
| 646 | L | D | 0.2231 | |
| 647 | V | D | -0.1178 | |
| 648 | E | D | 0.0000 | |
| 649 | Y | D | 0.0000 | |
| 650 | P | D | 0.0000 | |
| 651 | F | D | 0.0000 | |
| 652 | F | D | 0.0000 | |
| 653 | V | D | 0.0000 | |
| 654 | F | D | 0.3543 | |
| 655 | G | D | -0.9223 | |
| 656 | Q | D | -1.4183 | |
| 657 | G | D | -1.0741 | |
| 658 | W | D | 0.0000 | |
| 659 | S | D | 0.0000 | |
| 660 | S | D | 0.0000 | |
| 661 | C | D | -0.5833 | |
| 662 | C | D | -0.9137 | |
| 663 | P | D | -1.7181 | |
| 664 | E | D | -2.7992 | |
| 665 | R | D | -2.0393 | |
| 666 | T | D | 0.0000 | |
| 667 | S | D | -2.3294 | |
| 668 | Q | D | -2.5422 | |
| 669 | L | D | -1.7958 | |
| 670 | F | D | 0.0000 | |
| 671 | D | D | -2.8377 | |
| 672 | L | D | 0.0000 | |
| 673 | P | D | -1.3942 | |
| 674 | C | D | -1.4879 | |
| 675 | S | D | -1.4308 | |
| 676 | K | D | -1.9275 | |
| 677 | L | D | 0.0000 | |
| 678 | S | D | -0.1122 | |
| 679 | V | D | 0.6461 | |
| 680 | G | D | -0.0315 | |
| 681 | D | D | 0.0473 | |
| 682 | V | D | 0.5614 | |
| 683 | C | D | 0.0000 | |
| 684 | I | D | 0.0000 | |
| 685 | S | D | 0.0000 | |
| 686 | L | D | 0.0000 | |
| 687 | T | D | -0.5826 | |
| 688 | L | D | -0.4957 |