| Chain sequence(s) |
A: AMAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLK
C: AMAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLK B: AMAPPTKPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDQCISLTLK 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 | QG682B,KE571B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.61344 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 (00:03:55)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:34)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:11)
[INFO] Main: Simulation completed successfully. (00:09:16)
|
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 | -0.3250 | |
| 566 | M | A | -0.3421 | |
| 567 | A | A | 0.0000 | |
| 568 | P | A | 0.0000 | |
| 569 | P | A | 0.0177 | |
| 570 | T | A | -0.0413 | |
| 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 | -1.1261 | |
| 577 | K | A | -2.0193 | |
| 578 | G | A | 0.0000 | |
| 579 | S | A | 0.0000 | |
| 580 | I | A | -0.6846 | |
| 581 | I | A | 0.0000 | |
| 582 | Q | A | -1.3078 | |
| 583 | L | A | 0.0000 | |
| 584 | A | A | -0.9847 | |
| 585 | N | A | -1.6566 | |
| 586 | G | A | -1.5666 | |
| 587 | E | A | -1.4287 | |
| 588 | L | A | -0.1646 | |
| 589 | K | A | -1.2169 | |
| 590 | K | A | -1.6643 | |
| 591 | V | A | 0.0000 | |
| 592 | E | A | -2.1857 | |
| 593 | D | A | -2.7830 | |
| 594 | L | A | 0.0000 | |
| 595 | K | A | -2.4061 | |
| 596 | T | A | -1.3430 | |
| 597 | E | A | -2.1405 | |
| 598 | D | A | -2.3288 | |
| 599 | F | A | 0.0000 | |
| 600 | I | A | -1.0564 | |
| 601 | Q | A | -1.3864 | |
| 602 | S | A | -1.0940 | |
| 603 | A | A | 0.0000 | |
| 604 | E | A | -1.5051 | |
| 605 | I | A | 0.2192 | |
| 606 | S | A | -1.0900 | |
| 607 | N | A | -2.1133 | |
| 608 | D | A | -2.4382 | |
| 609 | L | A | 0.0000 | |
| 610 | K | A | -2.0924 | |
| 611 | I | A | -0.8781 | |
| 612 | D | A | -0.9284 | |
| 613 | S | A | -0.2812 | |
| 614 | S | A | 0.0000 | |
| 615 | T | A | -0.3131 | |
| 616 | V | A | 0.0000 | |
| 617 | E | A | -1.4885 | |
| 618 | R | A | -2.0634 | |
| 619 | I | A | -1.3651 | |
| 620 | E | A | -2.9056 | |
| 621 | D | A | -2.7520 | |
| 622 | S | A | -1.8135 | |
| 623 | H | A | -1.7167 | |
| 624 | S | A | -0.9964 | |
| 625 | P | A | -0.7250 | |
| 626 | G | A | -0.4995 | |
| 627 | V | A | -0.7298 | |
| 628 | A | A | 0.0000 | |
| 629 | V | A | -1.3795 | |
| 630 | I | A | 0.0000 | |
| 631 | Q | A | -1.4145 | |
| 632 | F | A | 0.0000 | |
| 633 | A | A | 0.0000 | |
| 634 | V | A | -1.4072 | |
| 635 | G | A | -1.9191 | |
| 636 | E | A | -2.9701 | |
| 637 | H | A | -2.8430 | |
| 638 | R | A | -3.0788 | |
| 639 | A | A | -1.9192 | |
| 640 | Q | A | -1.8257 | |
| 641 | V | A | -0.7747 | |
| 642 | S | A | -0.7387 | |
| 643 | V | A | 0.0000 | |
| 644 | E | A | -0.9684 | |
| 645 | V | A | 0.0000 | |
| 646 | L | A | 0.0526 | |
| 647 | V | A | -0.1286 | |
| 648 | E | A | 0.0000 | |
| 649 | Y | A | 0.2908 | |
| 650 | P | A | 0.0000 | |
| 651 | F | A | 0.0000 | |
| 652 | F | A | 0.0000 | |
| 653 | V | A | 0.0000 | |
| 654 | F | A | 1.0720 | |
| 655 | G | A | -0.4497 | |
| 656 | Q | A | -0.8787 | |
| 657 | G | A | -0.9227 | |
| 658 | W | A | 0.0000 | |
| 659 | S | A | 0.0000 | |
| 660 | S | A | 0.0000 | |
| 661 | C | A | -0.8135 | |
| 662 | C | A | -0.8179 | |
| 663 | P | A | -1.8064 | |
| 664 | E | A | -2.7374 | |
| 665 | R | A | -1.8399 | |
| 666 | T | A | 0.0000 | |
| 667 | S | A | -2.4823 | |
| 668 | Q | A | -2.4630 | |
| 669 | L | A | 0.0000 | |
| 670 | F | A | 0.0000 | |
| 671 | D | A | -2.9066 | |
| 672 | L | A | 0.0000 | |
| 673 | P | A | -1.5553 | |
| 674 | C | A | -1.2451 | |
| 675 | S | A | -1.3686 | |
| 676 | K | A | -1.9482 | |
| 677 | L | A | 0.0000 | |
| 678 | S | A | -0.0794 | |
| 679 | V | A | 0.7926 | |
| 680 | G | A | -0.0385 | |
| 681 | D | A | 0.0000 | |
| 682 | V | A | 0.8498 | |
| 683 | C | A | 0.0000 | |
| 684 | I | A | 0.0000 | |
| 685 | S | A | 0.0041 | |
| 686 | L | A | 0.0000 | |
| 687 | T | A | -0.8659 | |
| 688 | L | A | -1.3562 | |
| 689 | K | A | -2.4388 | |
| 565 | A | B | -0.2496 | |
| 566 | M | B | -0.1951 | |
| 567 | A | B | 0.0000 | |
| 568 | P | B | -0.0976 | |
| 569 | P | B | 0.0000 | |
| 570 | T | B | 0.0000 | |
| 571 | E | B | -0.3203 | mutated: KE571B |
| 572 | P | B | 0.0000 | |
| 573 | P | B | -0.1845 | |
| 574 | Y | B | 0.0000 | |
| 575 | F | B | 0.0000 | |
| 576 | M | B | 0.0000 | |
| 577 | K | B | -1.6313 | |
| 578 | G | B | -1.3489 | |
| 579 | S | B | 0.0000 | |
| 580 | I | B | -1.0008 | |
| 581 | I | B | 0.0000 | |
| 582 | Q | B | -1.2266 | |
| 583 | L | B | 0.0000 | |
| 584 | A | B | -1.3341 | |
| 585 | N | B | -1.9562 | |
| 586 | G | B | -1.8870 | |
| 587 | E | B | -2.2957 | |
| 588 | L | B | -1.2282 | |
| 589 | K | B | -1.9410 | |
| 590 | K | B | -2.6125 | |
| 591 | V | B | 0.0000 | |
| 592 | E | B | -3.1436 | |
| 593 | D | B | -3.1088 | |
| 594 | L | B | 0.0000 | |
| 595 | K | B | -1.2872 | |
| 596 | T | B | 0.0000 | |
| 597 | E | B | -0.8504 | |
| 598 | D | B | -1.2489 | |
| 599 | F | B | 0.0000 | |
| 600 | I | B | -0.6242 | |
| 601 | Q | B | -1.4431 | |
| 602 | S | B | 0.0000 | |
| 603 | A | B | -1.2549 | |
| 604 | E | B | -1.8225 | |
| 605 | I | B | -0.6479 | |
| 606 | S | B | -1.0724 | |
| 607 | N | B | -2.0399 | |
| 608 | D | B | -2.0621 | |
| 609 | L | B | 0.0000 | |
| 610 | K | B | -1.3759 | |
| 611 | I | B | -0.4569 | |
| 612 | D | B | -0.7992 | |
| 613 | S | B | -0.5563 | |
| 614 | S | B | 0.0000 | |
| 615 | T | B | 0.0000 | |
| 616 | V | B | 0.0000 | |
| 617 | E | B | 0.0000 | |
| 618 | R | B | -1.3207 | |
| 619 | I | B | -1.1676 | |
| 620 | E | B | -2.8101 | |
| 621 | D | B | -2.8910 | |
| 622 | S | B | -2.0369 | |
| 623 | H | B | -1.6889 | |
| 624 | S | B | -1.1926 | |
| 625 | P | B | -0.8886 | |
| 626 | G | B | -0.5912 | |
| 627 | V | B | -1.0817 | |
| 628 | A | B | 0.0000 | |
| 629 | V | B | -1.6350 | |
| 630 | I | B | 0.0000 | |
| 631 | Q | B | -1.2868 | |
| 632 | F | B | 0.0000 | |
| 633 | A | B | 0.0000 | |
| 634 | V | B | -0.9896 | |
| 635 | G | B | -1.5975 | |
| 636 | E | B | -2.5607 | |
| 637 | H | B | -2.2977 | |
| 638 | R | B | -1.8745 | |
| 639 | A | B | -1.3552 | |
| 640 | Q | B | -1.4206 | |
| 641 | V | B | -0.5333 | |
| 642 | S | B | -0.8497 | |
| 643 | V | B | 0.0000 | |
| 644 | E | B | -1.9460 | |
| 645 | V | B | 0.0000 | |
| 646 | L | B | -0.0718 | |
| 647 | V | B | -0.1841 | |
| 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 | -0.0551 | |
| 655 | G | B | 0.0000 | |
| 656 | Q | B | -0.7140 | |
| 657 | G | B | 0.0000 | |
| 658 | W | B | 0.0000 | |
| 659 | S | B | 0.0000 | |
| 660 | S | B | 0.0000 | |
| 661 | C | B | -0.8000 | |
| 662 | C | B | -0.9235 | |
| 663 | P | B | -1.7150 | |
| 664 | E | B | -2.8272 | |
| 665 | R | B | -2.0545 | |
| 666 | T | B | 0.0000 | |
| 667 | S | B | -2.2791 | |
| 668 | Q | B | -2.6280 | |
| 669 | L | B | 0.0000 | |
| 670 | F | B | 0.0000 | |
| 671 | D | B | -2.8767 | |
| 672 | L | B | 0.0000 | |
| 673 | P | B | -1.4645 | |
| 674 | C | B | -1.3895 | |
| 675 | S | B | -1.4684 | |
| 676 | K | B | -2.1038 | |
| 677 | L | B | 0.0000 | |
| 678 | S | B | -0.5158 | |
| 679 | V | B | -0.2658 | |
| 680 | G | B | -0.6833 | |
| 681 | D | B | 0.0000 | |
| 682 | G | B | -0.1747 | mutated: QG682B |
| 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 | -1.3299 | |
| 689 | K | B | -2.1216 | |
| 565 | A | C | -0.1471 | |
| 566 | M | C | -0.2129 | |
| 567 | A | C | 0.0000 | |
| 568 | P | C | 0.0000 | |
| 569 | P | C | 0.0362 | |
| 570 | T | C | -0.0669 | |
| 571 | L | C | 0.0000 | |
| 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 | -1.9119 | |
| 578 | G | C | -1.2302 | |
| 579 | S | C | 0.0000 | |
| 580 | I | C | -0.4579 | |
| 581 | I | C | 0.0000 | |
| 582 | Q | C | -1.2072 | |
| 583 | L | C | 0.0000 | |
| 584 | A | C | -0.8917 | |
| 585 | N | C | -1.8078 | |
| 586 | G | C | -1.8297 | |
| 587 | E | C | -2.0662 | |
| 588 | L | C | -0.5757 | |
| 589 | K | C | -1.4798 | |
| 590 | K | C | -1.8339 | |
| 591 | V | C | 0.0000 | |
| 592 | E | C | -2.2993 | |
| 593 | D | C | -2.8722 | |
| 594 | L | C | 0.0000 | |
| 595 | K | C | -2.6092 | |
| 596 | T | C | -1.3480 | |
| 597 | E | C | -1.4740 | |
| 598 | D | C | -1.7772 | |
| 599 | F | C | 0.0000 | |
| 600 | I | C | 0.0000 | |
| 601 | Q | C | -0.6988 | |
| 602 | S | C | 0.0000 | |
| 603 | A | C | 0.0000 | |
| 604 | E | C | -0.3813 | |
| 605 | I | C | 0.2448 | |
| 606 | S | C | -1.0584 | |
| 607 | N | C | -2.2038 | |
| 608 | D | C | -2.6990 | |
| 609 | L | C | -1.6411 | |
| 610 | K | C | -1.2787 | |
| 611 | I | C | 0.0000 | |
| 612 | D | C | -0.4607 | |
| 613 | S | C | -0.1171 | |
| 614 | S | C | 0.0000 | |
| 615 | T | C | -0.3997 | |
| 616 | V | C | 0.0000 | |
| 617 | E | C | -2.1141 | |
| 618 | R | C | -2.4781 | |
| 619 | I | C | -1.6801 | |
| 620 | E | C | -2.9718 | |
| 621 | D | C | -2.8365 | |
| 622 | S | C | -1.8640 | |
| 623 | H | C | -1.7630 | |
| 624 | S | C | -1.0669 | |
| 625 | P | C | -0.7843 | |
| 626 | G | C | -0.4751 | |
| 627 | V | C | -0.7230 | |
| 628 | A | C | 0.0000 | |
| 629 | V | C | -1.3796 | |
| 630 | I | C | 0.0000 | |
| 631 | Q | C | -1.7411 | |
| 632 | F | C | 0.0000 | |
| 633 | A | C | -1.3502 | |
| 634 | V | C | 0.0000 | |
| 635 | G | C | 0.0000 | |
| 636 | E | C | -1.1157 | |
| 637 | H | C | -1.4453 | |
| 638 | R | C | -1.2266 | |
| 639 | A | C | -1.1088 | |
| 640 | Q | C | -1.5247 | |
| 641 | V | C | -0.5558 | |
| 642 | S | C | -0.7546 | |
| 643 | V | C | 0.0000 | |
| 644 | E | C | -0.9368 | |
| 645 | V | C | 0.0000 | |
| 646 | L | C | 0.2310 | |
| 647 | V | C | -0.1707 | |
| 648 | E | C | 0.0000 | |
| 649 | Y | C | 0.0000 | |
| 650 | P | C | 0.0000 | |
| 651 | F | C | 0.0000 | |
| 652 | F | C | 0.0000 | |
| 653 | V | C | 0.0000 | |
| 654 | F | C | 0.0606 | |
| 655 | G | C | -0.8329 | |
| 656 | Q | C | -1.0885 | |
| 657 | G | C | -1.1485 | |
| 658 | W | C | 0.0000 | |
| 659 | S | C | 0.0000 | |
| 660 | S | C | 0.0000 | |
| 661 | C | C | -0.6957 | |
| 662 | C | C | -0.9417 | |
| 663 | P | C | -1.9014 | |
| 664 | E | C | -2.8635 | |
| 665 | R | C | -2.0208 | |
| 666 | T | C | 0.0000 | |
| 667 | S | C | -2.4414 | |
| 668 | Q | C | -2.4577 | |
| 669 | L | C | 0.0000 | |
| 670 | F | C | 0.0000 | |
| 671 | D | C | -2.8296 | |
| 672 | L | C | 0.0000 | |
| 673 | P | C | -1.4290 | |
| 674 | C | C | -1.2302 | |
| 675 | S | C | -1.2773 | |
| 676 | K | C | -1.9608 | |
| 677 | L | C | 0.0000 | |
| 678 | S | C | -0.3602 | |
| 679 | V | C | 0.1819 | |
| 680 | G | C | -0.4168 | |
| 681 | D | C | -0.1862 | |
| 682 | V | C | 0.3733 | |
| 683 | C | C | 0.0000 | |
| 684 | I | C | 0.0000 | |
| 685 | S | C | -0.0957 | |
| 686 | L | C | 0.0000 | |
| 687 | T | C | 0.0000 | |
| 688 | L | C | -1.2265 | |
| 689 | K | C | -2.6403 | |
| 565 | A | D | 0.0631 | |
| 566 | M | D | 0.1766 | |
| 567 | A | D | 0.0000 | |
| 568 | P | D | -0.0022 | |
| 569 | P | D | 0.0000 | |
| 570 | T | D | 0.0000 | |
| 571 | L | D | 0.0000 | |
| 572 | P | D | 0.0000 | |
| 573 | P | D | -0.1945 | |
| 574 | Y | D | 0.0000 | |
| 575 | F | D | 0.0000 | |
| 576 | M | D | 0.0000 | |
| 577 | K | D | -1.8380 | |
| 578 | G | D | -1.1911 | |
| 579 | S | D | 0.0000 | |
| 580 | I | D | -0.4682 | |
| 581 | I | D | 0.0000 | |
| 582 | Q | D | -1.0097 | |
| 583 | L | D | 0.0000 | |
| 584 | A | D | -0.8194 | |
| 585 | N | D | -1.3349 | |
| 586 | G | D | -1.6060 | |
| 587 | E | D | -2.0280 | |
| 588 | L | D | -0.8932 | |
| 589 | K | D | -1.6044 | |
| 590 | K | D | -1.6179 | |
| 591 | V | D | 0.0000 | |
| 592 | E | D | -2.4713 | |
| 593 | D | D | -2.7487 | |
| 594 | L | D | 0.0000 | |
| 595 | K | D | -2.7142 | |
| 596 | T | D | 0.0000 | |
| 597 | E | D | -2.2698 | |
| 598 | D | D | 0.0000 | |
| 599 | F | D | 0.0000 | |
| 600 | I | D | -1.0715 | |
| 601 | Q | D | -1.2821 | |
| 602 | S | D | 0.0000 | |
| 603 | A | D | -1.5102 | |
| 604 | E | D | -1.7083 | |
| 605 | I | D | 0.2512 | |
| 606 | S | D | -0.8632 | |
| 607 | N | D | -1.8145 | |
| 608 | D | D | -1.7033 | |
| 609 | L | D | -1.3748 | |
| 610 | K | D | -1.9792 | |
| 611 | I | D | -1.0158 | |
| 612 | D | D | -1.0322 | |
| 613 | S | D | -0.4281 | |
| 614 | S | D | 0.0000 | |
| 615 | T | D | -0.2857 | |
| 616 | V | D | 0.0000 | |
| 617 | E | D | -1.0764 | |
| 618 | R | D | -1.8099 | |
| 619 | I | D | -1.1620 | |
| 620 | E | D | -2.7322 | |
| 621 | D | D | -2.7754 | |
| 622 | S | D | -1.8495 | |
| 623 | H | D | -1.5473 | |
| 624 | S | D | -1.0377 | |
| 625 | P | D | -0.8116 | |
| 626 | G | D | -0.5928 | |
| 627 | V | D | 0.0000 | |
| 628 | A | D | 0.0000 | |
| 629 | V | D | -1.1952 | |
| 630 | I | D | 0.0000 | |
| 631 | Q | D | -1.2791 | |
| 632 | F | D | 0.0000 | |
| 633 | A | D | 0.0000 | |
| 634 | V | D | -1.2349 | |
| 635 | G | D | -1.7916 | |
| 636 | E | D | -2.8436 | |
| 637 | H | D | -2.8640 | |
| 638 | R | D | -2.9227 | |
| 639 | A | D | -1.8421 | |
| 640 | Q | D | -1.7232 | |
| 641 | V | D | -0.7843 | |
| 642 | S | D | -0.7256 | |
| 643 | V | D | 0.0000 | |
| 644 | E | D | -0.8779 | |
| 645 | V | D | 0.0000 | |
| 646 | L | D | 0.2230 | |
| 647 | V | D | -0.1146 | |
| 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 | 0.3573 | |
| 655 | G | D | -0.9192 | |
| 656 | Q | D | -1.4158 | |
| 657 | G | D | -1.0698 | |
| 658 | W | D | 0.0000 | |
| 659 | S | D | 0.0000 | |
| 660 | S | D | 0.0000 | |
| 661 | C | D | -0.5810 | |
| 662 | C | D | -0.9092 | |
| 663 | P | D | -1.7141 | |
| 664 | E | D | -2.7927 | |
| 665 | R | D | -2.0255 | |
| 666 | T | D | 0.0000 | |
| 667 | S | D | -2.3247 | |
| 668 | Q | D | -2.5376 | |
| 669 | L | D | -1.7919 | |
| 670 | F | D | 0.0000 | |
| 671 | D | D | -2.8349 | |
| 672 | L | D | 0.0000 | |
| 673 | P | D | -1.3933 | |
| 674 | C | D | -1.4865 | |
| 675 | S | D | -1.4332 | |
| 676 | K | D | -1.9257 | |
| 677 | L | D | 0.0000 | |
| 678 | S | D | -0.0736 | |
| 679 | V | D | 0.7317 | |
| 680 | G | D | 0.0262 | |
| 681 | D | D | 0.0842 | |
| 682 | V | D | 0.5822 | |
| 683 | C | D | 0.0000 | |
| 684 | I | D | 0.0000 | |
| 685 | S | D | 0.0000 | |
| 686 | L | D | 0.0000 | |
| 687 | T | D | -0.5936 | |
| 688 | L | D | -0.4710 |