| Chain sequence(s) |
A: MRRRPIRVLSLFDGIATGYLVLKELGIKVGKYVASEVCEESIAVGTVKHEGNIKYVNDVRNITKKNIEEWGPFDLVIGGSPCNDLSNVNPARKGLYEGTGRLFFEFYHLLNYSRPKEGDDRPFFWMFENVVAMKVGDKRDISRFLECNPVMIDAIKVSAAHRARYFWGNLPGMNRPVIASKNDKLELQDCLEYNRIAKLKKVQTITTKSNSIKQGKNQLFPVVMNGKEDVLWCTELERIFGFPVHYTDVSNMGRGARQKLLGRSWSVPVIRHLFAPLKDYFACE
D: MRRRPIRVLSLFDGIATGYLVLKELGIKVGKYVASEVCEESIAVGTVKHEGNIKYVNDVRNITKKNIEEWGPFDLVIGGSPCNDLSNVNPARKGLYEGTGRLFFEFYHLLNYSRPKEGDDRPFFWMFENVVAMKVGDKRDISRFLECNPVMIDAIKVSAAHRARYFWGNLPGMNRPVIASKNDKLELQDCLEYNRIAKLKKVQTITTKSNSIKQGKNQLFPVVMNGKEDVLWCTELERIFGFPVHYTDVSNMGRGARQKLLGRSWSVPVIRHLFAPLKDYFACE input PDB |
| Selected Chain(s) | A,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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 all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c593f014e7d5c7a/tmp/folded.pdb (00:09:23)
[INFO] Main: Simulation completed successfully. (00:12:17)
|
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 |
|---|---|---|---|---|
| 570 | M | A | -0.3615 | |
| 571 | R | A | -2.3408 | |
| 572 | R | A | -3.1259 | |
| 573 | R | A | -2.9237 | |
| 574 | P | A | -1.9035 | |
| 575 | I | A | 0.0000 | |
| 576 | R | A | -1.2601 | |
| 577 | V | A | 0.0000 | |
| 578 | L | A | 0.0000 | |
| 579 | S | A | 0.0000 | |
| 580 | L | A | 0.0000 | |
| 581 | F | A | 0.3496 | |
| 582 | D | A | 0.0000 | |
| 583 | G | A | -0.2649 | |
| 584 | I | A | 0.0000 | |
| 585 | A | A | 0.0000 | |
| 586 | T | A | 0.0000 | |
| 587 | G | A | 0.0000 | |
| 588 | Y | A | 0.0000 | |
| 589 | L | A | 0.0000 | |
| 590 | V | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | K | A | -2.0609 | |
| 593 | E | A | -2.2648 | |
| 594 | L | A | -1.5842 | |
| 595 | G | A | -1.7000 | |
| 596 | I | A | 0.0000 | |
| 597 | K | A | -2.0805 | |
| 598 | V | A | -1.4330 | |
| 599 | G | A | -1.5308 | |
| 600 | K | A | -1.6888 | |
| 601 | Y | A | 0.0000 | |
| 602 | V | A | 0.0000 | |
| 603 | A | A | 0.0000 | |
| 604 | S | A | 0.0000 | |
| 605 | E | A | 0.0000 | |
| 606 | V | A | 0.8814 | |
| 607 | C | A | -0.1954 | |
| 608 | E | A | -1.6384 | |
| 609 | E | A | -1.2125 | |
| 610 | S | A | 0.0000 | |
| 611 | I | A | -0.3438 | |
| 612 | A | A | -0.6633 | |
| 613 | V | A | 0.0000 | |
| 614 | G | A | 0.0000 | |
| 615 | T | A | -1.2993 | |
| 616 | V | A | -1.0493 | |
| 617 | K | A | -1.2172 | |
| 618 | H | A | -1.7098 | |
| 619 | E | A | -2.5723 | |
| 620 | G | A | -2.2866 | |
| 621 | N | A | -2.5593 | |
| 622 | I | A | 0.0000 | |
| 623 | K | A | -2.1732 | |
| 624 | Y | A | -0.8630 | |
| 625 | V | A | -0.7834 | |
| 626 | N | A | -1.5104 | |
| 627 | D | A | -1.3904 | |
| 628 | V | A | 0.0000 | |
| 629 | R | A | -2.9453 | |
| 630 | N | A | -2.7595 | |
| 631 | I | A | 0.0000 | |
| 632 | T | A | -2.5751 | |
| 633 | K | A | -3.4751 | |
| 634 | K | A | -3.7809 | |
| 635 | N | A | -2.9274 | |
| 636 | I | A | 0.0000 | |
| 637 | E | A | -3.8098 | |
| 638 | E | A | -3.4867 | |
| 639 | W | A | -2.0191 | |
| 640 | G | A | -1.7479 | |
| 641 | P | A | -1.3076 | |
| 642 | F | A | 0.0000 | |
| 643 | D | A | 0.0000 | |
| 644 | L | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | I | A | 0.0000 | |
| 647 | G | A | 0.0000 | |
| 648 | G | A | -0.1606 | |
| 649 | S | A | 0.0000 | |
| 650 | P | A | -0.7581 | |
| 651 | C | A | -0.8057 | |
| 652 | N | A | -1.8495 | |
| 653 | D | A | 0.0000 | |
| 654 | L | A | 0.0000 | |
| 655 | S | A | 0.0000 | |
| 656 | N | A | -1.3099 | |
| 657 | V | A | 0.5487 | |
| 658 | N | A | -0.8900 | |
| 659 | P | A | -1.0888 | |
| 660 | A | A | -1.5817 | |
| 661 | R | A | -3.2660 | |
| 662 | K | A | -3.5200 | |
| 663 | G | A | -2.5073 | |
| 664 | L | A | 0.0000 | |
| 665 | Y | A | -0.8135 | |
| 666 | E | A | -2.7905 | |
| 667 | G | A | -2.4184 | |
| 668 | T | A | -1.7938 | |
| 669 | G | A | 0.0000 | |
| 670 | R | A | -2.2272 | |
| 671 | L | A | -1.2074 | |
| 672 | F | A | 0.0000 | |
| 673 | F | A | -0.2525 | |
| 674 | E | A | -1.3751 | |
| 675 | F | A | 0.0000 | |
| 676 | Y | A | 0.0920 | |
| 677 | H | A | -0.9599 | |
| 678 | L | A | 0.0000 | |
| 679 | L | A | 0.0000 | |
| 680 | N | A | -1.1836 | |
| 681 | Y | A | -1.3646 | |
| 682 | S | A | 0.0000 | |
| 683 | R | A | -1.8325 | |
| 684 | P | A | -2.4321 | |
| 685 | K | A | -3.4393 | |
| 686 | E | A | -3.5825 | |
| 687 | G | A | -2.5965 | |
| 688 | D | A | -2.9595 | |
| 689 | D | A | -2.9397 | |
| 690 | R | A | -1.8616 | |
| 691 | P | A | -0.6971 | |
| 692 | F | A | -0.5976 | |
| 693 | F | A | 0.0000 | |
| 694 | W | A | -0.2379 | |
| 695 | M | A | 0.0000 | |
| 696 | F | A | 0.0000 | |
| 697 | E | A | 0.0000 | |
| 698 | N | A | 0.0000 | |
| 699 | V | A | 0.0000 | |
| 700 | V | A | 0.1928 | |
| 701 | A | A | -0.1030 | |
| 702 | M | A | 0.0000 | |
| 703 | K | A | -1.4158 | |
| 704 | V | A | 0.1971 | |
| 705 | G | A | -0.6259 | |
| 706 | D | A | 0.0000 | |
| 707 | K | A | -1.6297 | |
| 708 | R | A | -2.5701 | |
| 709 | D | A | -1.8892 | |
| 710 | I | A | 0.0000 | |
| 711 | S | A | -2.5528 | |
| 712 | R | A | -3.1403 | |
| 713 | F | A | -1.3522 | |
| 714 | L | A | 0.0000 | |
| 715 | E | A | -2.5715 | |
| 716 | C | A | -1.9693 | |
| 717 | N | A | -2.0182 | |
| 718 | P | A | -0.7487 | |
| 719 | V | A | -0.0067 | |
| 720 | M | A | 0.7930 | |
| 721 | I | A | 0.0000 | |
| 722 | D | A | -0.4665 | |
| 723 | A | A | 0.0000 | |
| 724 | I | A | -0.7358 | |
| 725 | K | A | -1.0773 | |
| 726 | V | A | 0.0000 | |
| 727 | S | A | 0.0000 | |
| 728 | A | A | 0.0000 | |
| 729 | A | A | 0.0000 | |
| 730 | H | A | -0.9433 | |
| 731 | R | A | 0.0000 | |
| 732 | A | A | 0.0000 | |
| 733 | R | A | 0.1650 | |
| 734 | Y | A | 0.3392 | |
| 735 | F | A | 0.0000 | |
| 736 | W | A | 0.0000 | |
| 737 | G | A | -0.8236 | |
| 738 | N | A | -0.8741 | |
| 739 | L | A | 0.0000 | |
| 740 | P | A | -0.7311 | |
| 741 | G | A | -1.1768 | |
| 742 | M | A | 0.0000 | |
| 743 | N | A | -1.5672 | |
| 744 | R | A | -1.2507 | |
| 745 | P | A | -0.3467 | |
| 746 | V | A | 0.3081 | |
| 747 | I | A | 1.4050 | |
| 748 | A | A | -0.0396 | |
| 749 | S | A | -0.9905 | |
| 750 | K | A | -2.3318 | |
| 751 | N | A | -2.4545 | |
| 752 | D | A | -2.0469 | |
| 753 | K | A | -2.2884 | |
| 754 | L | A | -1.8193 | |
| 755 | E | A | -2.3048 | |
| 756 | L | A | 0.0000 | |
| 757 | Q | A | -1.7499 | |
| 758 | D | A | -2.1204 | |
| 759 | C | A | 0.0000 | |
| 760 | L | A | -0.3396 | |
| 761 | E | A | -0.4709 | |
| 762 | Y | A | -0.4352 | |
| 763 | N | A | -0.8137 | |
| 764 | R | A | 0.0000 | |
| 765 | I | A | 0.9640 | |
| 766 | A | A | -0.2303 | |
| 767 | K | A | -0.7149 | |
| 768 | L | A | -1.0605 | |
| 769 | K | A | -2.4635 | |
| 770 | K | A | -1.5471 | |
| 771 | V | A | 0.0000 | |
| 772 | Q | A | -0.6759 | |
| 773 | T | A | -0.4187 | |
| 774 | I | A | 0.0000 | |
| 775 | T | A | -1.4155 | |
| 776 | T | A | -2.2314 | |
| 777 | K | A | -2.5429 | |
| 778 | S | A | -1.9400 | |
| 779 | N | A | -2.0402 | |
| 780 | S | A | 0.0000 | |
| 781 | I | A | 0.0000 | |
| 782 | K | A | -1.2288 | |
| 783 | Q | A | 0.0000 | |
| 784 | G | A | -1.9871 | |
| 785 | K | A | -2.7729 | |
| 786 | N | A | -2.5405 | |
| 787 | Q | A | -2.3311 | |
| 788 | L | A | -1.1908 | |
| 789 | F | A | -0.6171 | |
| 790 | P | A | 0.0000 | |
| 791 | V | A | 0.0000 | |
| 792 | V | A | -0.8086 | |
| 793 | M | A | 0.0000 | |
| 794 | N | A | -2.1372 | |
| 795 | G | A | -1.9904 | |
| 796 | K | A | -2.9715 | |
| 797 | E | A | -2.2649 | |
| 798 | D | A | -1.0135 | |
| 799 | V | A | -0.0763 | |
| 800 | L | A | 0.0000 | |
| 801 | W | A | 0.0000 | |
| 802 | C | A | 0.0000 | |
| 803 | T | A | 0.0000 | |
| 804 | E | A | 0.0000 | |
| 805 | L | A | 0.0000 | |
| 806 | E | A | 0.0000 | |
| 807 | R | A | -0.5874 | |
| 808 | I | A | 0.0000 | |
| 809 | F | A | 0.0000 | |
| 810 | G | A | -0.4593 | |
| 811 | F | A | 0.0000 | |
| 812 | P | A | 0.0477 | |
| 813 | V | A | 0.4366 | |
| 814 | H | A | 0.1137 | |
| 815 | Y | A | 0.0000 | |
| 816 | T | A | 0.0000 | |
| 817 | D | A | 0.0000 | |
| 818 | V | A | 0.0000 | |
| 819 | S | A | -0.6185 | |
| 820 | N | A | -0.5924 | |
| 821 | M | A | 0.0000 | |
| 822 | G | A | -0.7714 | |
| 823 | R | A | -1.1163 | |
| 824 | G | A | -1.2483 | |
| 825 | A | A | -1.1069 | |
| 826 | R | A | 0.0000 | |
| 827 | Q | A | 0.0000 | |
| 828 | K | A | -2.4598 | |
| 829 | L | A | 0.0000 | |
| 830 | L | A | 0.0000 | |
| 831 | G | A | 0.0000 | |
| 832 | R | A | -2.1852 | |
| 833 | S | A | 0.0000 | |
| 834 | W | A | -0.3575 | |
| 835 | S | A | 0.0000 | |
| 836 | V | A | 0.0000 | |
| 837 | P | A | 0.0000 | |
| 838 | V | A | 0.0000 | |
| 839 | I | A | 0.0000 | |
| 840 | R | A | -0.7374 | |
| 841 | H | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | F | A | 0.0000 | |
| 844 | A | A | -0.8497 | |
| 845 | P | A | -0.8221 | |
| 846 | L | A | 0.0000 | |
| 847 | K | A | -1.7203 | |
| 848 | D | A | -2.0997 | |
| 849 | Y | A | -1.3770 | |
| 850 | F | A | 0.0000 | |
| 851 | A | A | -2.2913 | |
| 852 | C | A | -1.6154 | |
| 853 | E | A | -1.9117 | |
| 570 | M | D | -0.4460 | |
| 571 | R | D | -2.5119 | |
| 572 | R | D | -3.4356 | |
| 573 | R | D | -2.7754 | |
| 574 | P | D | -1.7423 | |
| 575 | I | D | 0.0000 | |
| 576 | R | D | -0.9277 | |
| 577 | V | D | 0.0000 | |
| 578 | L | D | 0.0000 | |
| 579 | S | D | 0.0000 | |
| 580 | L | D | 0.0000 | |
| 581 | F | D | 0.3610 | |
| 582 | D | D | 0.0000 | |
| 583 | G | D | -0.2383 | |
| 584 | I | D | 0.0000 | |
| 585 | A | D | 0.0000 | |
| 586 | T | D | 0.0000 | |
| 587 | G | D | 0.0000 | |
| 588 | Y | D | 0.0000 | |
| 589 | L | D | 0.0000 | |
| 590 | V | D | 0.0000 | |
| 591 | L | D | 0.0000 | |
| 592 | K | D | -2.5660 | |
| 593 | E | D | -2.5902 | |
| 594 | L | D | 0.0000 | |
| 595 | G | D | -1.9065 | |
| 596 | I | D | 0.0000 | |
| 597 | K | D | -2.0907 | |
| 598 | V | D | -1.3587 | |
| 599 | G | D | -1.3398 | |
| 600 | K | D | -1.5073 | |
| 601 | Y | D | 0.0000 | |
| 602 | V | D | 0.0000 | |
| 603 | A | D | 0.0000 | |
| 604 | S | D | 0.0000 | |
| 605 | E | D | 0.0000 | |
| 606 | V | D | 0.9980 | |
| 607 | C | D | -0.0788 | |
| 608 | E | D | -1.4720 | |
| 609 | E | D | -0.8420 | |
| 610 | S | D | 0.0000 | |
| 611 | I | D | -0.1988 | |
| 612 | A | D | -0.4911 | |
| 613 | V | D | 0.0000 | |
| 614 | G | D | 0.0000 | |
| 615 | T | D | -1.1858 | |
| 616 | V | D | -0.9955 | |
| 617 | K | D | -1.1350 | |
| 618 | H | D | 0.0000 | |
| 619 | E | D | -2.5140 | |
| 620 | G | D | -2.2311 | |
| 621 | N | D | -2.4892 | |
| 622 | I | D | 0.0000 | |
| 623 | K | D | -2.0260 | |
| 624 | Y | D | -0.7533 | |
| 625 | V | D | -0.7050 | |
| 626 | N | D | -1.4345 | |
| 627 | D | D | -1.2472 | |
| 628 | V | D | 0.0000 | |
| 629 | R | D | -2.8899 | |
| 630 | N | D | -2.7090 | |
| 631 | I | D | 0.0000 | |
| 632 | T | D | -2.5416 | |
| 633 | K | D | -3.4475 | |
| 634 | K | D | -3.7275 | |
| 635 | N | D | -2.8344 | |
| 636 | I | D | 0.0000 | |
| 637 | E | D | -3.7761 | |
| 638 | E | D | -3.4327 | |
| 639 | W | D | -1.9227 | |
| 640 | G | D | -1.6875 | |
| 641 | P | D | -1.2529 | |
| 642 | F | D | 0.0000 | |
| 643 | D | D | 0.0000 | |
| 644 | L | D | 0.0000 | |
| 645 | V | D | 0.0000 | |
| 646 | I | D | 0.0000 | |
| 647 | G | D | 0.0000 | |
| 648 | G | D | -0.1770 | |
| 649 | S | D | 0.0000 | |
| 650 | P | D | -0.8262 | |
| 651 | C | D | -0.9180 | |
| 652 | N | D | -1.8854 | |
| 653 | D | D | 0.0000 | |
| 654 | L | D | 0.0000 | |
| 655 | S | D | 0.0000 | |
| 656 | N | D | -1.3891 | |
| 657 | V | D | 0.4751 | |
| 658 | N | D | -1.0462 | |
| 659 | P | D | -1.0451 | |
| 660 | A | D | -1.6696 | |
| 661 | R | D | -3.3788 | |
| 662 | K | D | -3.5295 | |
| 663 | G | D | -2.5392 | |
| 664 | L | D | 0.0000 | |
| 665 | Y | D | -0.6144 | |
| 666 | E | D | -2.7230 | |
| 667 | G | D | -2.3346 | |
| 668 | T | D | -1.7155 | |
| 669 | G | D | 0.0000 | |
| 670 | R | D | -2.0107 | |
| 671 | L | D | -1.1079 | |
| 672 | F | D | 0.0000 | |
| 673 | F | D | -0.1254 | |
| 674 | E | D | -1.3348 | |
| 675 | F | D | 0.0000 | |
| 676 | Y | D | 0.1411 | |
| 677 | H | D | -0.9261 | |
| 678 | L | D | 0.0000 | |
| 679 | L | D | 0.0000 | |
| 680 | N | D | -1.2293 | |
| 681 | Y | D | -1.4091 | |
| 682 | S | D | 0.0000 | |
| 683 | R | D | -1.9197 | |
| 684 | P | D | -2.5130 | |
| 685 | K | D | -3.4994 | |
| 686 | E | D | -3.6326 | |
| 687 | G | D | -2.6002 | |
| 688 | D | D | -2.9756 | |
| 689 | D | D | -3.0131 | |
| 690 | R | D | -2.0654 | |
| 691 | P | D | -0.7612 | |
| 692 | F | D | -0.5711 | |
| 693 | F | D | 0.0000 | |
| 694 | W | D | -0.2400 | |
| 695 | M | D | 0.0000 | |
| 696 | F | D | 0.0000 | |
| 697 | E | D | 0.0000 | |
| 698 | N | D | 0.0000 | |
| 699 | V | D | 0.0000 | |
| 700 | V | D | 0.2203 | |
| 701 | A | D | -0.0374 | |
| 702 | M | D | -0.6177 | |
| 703 | K | D | -1.3150 | |
| 704 | V | D | 0.4166 | |
| 705 | G | D | -0.4195 | |
| 706 | D | D | 0.0000 | |
| 707 | K | D | -1.3306 | |
| 708 | R | D | -1.8847 | |
| 709 | D | D | 0.0000 | |
| 710 | I | D | 0.0000 | |
| 711 | S | D | -2.0654 | |
| 712 | R | D | -2.6393 | |
| 713 | F | D | -0.7425 | |
| 714 | L | D | 0.0000 | |
| 715 | E | D | -2.2921 | |
| 716 | C | D | -1.6083 | |
| 717 | N | D | -1.8414 | |
| 718 | P | D | -0.5451 | |
| 719 | V | D | -0.0441 | |
| 720 | M | D | 0.6996 | |
| 721 | I | D | 0.0000 | |
| 722 | D | D | -0.5903 | |
| 723 | A | D | 0.0000 | |
| 724 | I | D | -1.0415 | |
| 725 | K | D | -1.2010 | |
| 726 | V | D | 0.0000 | |
| 727 | S | D | 0.0000 | |
| 728 | A | D | 0.0000 | |
| 729 | A | D | 0.0000 | |
| 730 | H | D | -1.1264 | |
| 731 | R | D | 0.0000 | |
| 732 | A | D | -0.0621 | |
| 733 | R | D | 0.1135 | |
| 734 | Y | D | 0.2822 | |
| 735 | F | D | 0.0000 | |
| 736 | W | D | 0.0000 | |
| 737 | G | D | -0.7792 | |
| 738 | N | D | -0.8757 | |
| 739 | L | D | 0.0000 | |
| 740 | P | D | -0.7808 | |
| 741 | G | D | -1.2947 | |
| 742 | M | D | 0.0000 | |
| 743 | N | D | -1.6940 | |
| 744 | R | D | -1.4845 | |
| 745 | P | D | -0.4545 | |
| 746 | V | D | 0.2614 | |
| 747 | I | D | 1.3983 | |
| 748 | A | D | -0.0769 | |
| 749 | S | D | -0.9649 | |
| 750 | K | D | -2.3822 | |
| 751 | N | D | -2.4823 | |
| 752 | D | D | -2.3777 | |
| 753 | K | D | -2.5720 | |
| 754 | L | D | -1.9807 | |
| 755 | E | D | -2.7503 | |
| 756 | L | D | 0.0000 | |
| 757 | Q | D | -2.0102 | |
| 758 | D | D | -2.4079 | |
| 759 | C | D | 0.0000 | |
| 760 | L | D | -0.5068 | |
| 761 | E | D | -0.6120 | |
| 762 | Y | D | -0.5467 | |
| 763 | N | D | -0.8826 | |
| 764 | R | D | 0.0000 | |
| 765 | I | D | 0.7643 | |
| 766 | A | D | -0.4555 | |
| 767 | K | D | -0.7194 | |
| 768 | L | D | -0.9841 | |
| 769 | K | D | -2.5637 | |
| 770 | K | D | -1.6640 | |
| 771 | V | D | 0.0000 | |
| 772 | Q | D | -0.6915 | |
| 773 | T | D | -0.4590 | |
| 774 | I | D | 0.0000 | |
| 775 | T | D | -1.4435 | |
| 776 | T | D | -1.8845 | |
| 777 | K | D | -2.3796 | |
| 778 | S | D | -1.8569 | |
| 779 | N | D | -2.0088 | |
| 780 | S | D | 0.0000 | |
| 781 | I | D | 0.0000 | |
| 782 | K | D | -1.1743 | |
| 783 | Q | D | 0.0000 | |
| 784 | G | D | -1.9319 | |
| 785 | K | D | -2.7092 | |
| 786 | N | D | -2.4271 | |
| 787 | Q | D | -2.0641 | |
| 788 | L | D | -1.0943 | |
| 789 | F | D | -0.5479 | |
| 790 | P | D | 0.0000 | |
| 791 | V | D | 0.0000 | |
| 792 | V | D | -0.9579 | |
| 793 | M | D | 0.0000 | |
| 794 | N | D | -2.1923 | |
| 795 | G | D | -2.0526 | |
| 796 | K | D | -3.0631 | |
| 797 | E | D | -2.4729 | |
| 798 | D | D | -1.1297 | |
| 799 | V | D | -0.1337 | |
| 800 | L | D | 0.0000 | |
| 801 | W | D | 0.0000 | |
| 802 | C | D | 0.0000 | |
| 803 | T | D | 0.0000 | |
| 804 | E | D | 0.0000 | |
| 805 | L | D | 0.0000 | |
| 806 | E | D | 0.0000 | |
| 807 | R | D | -0.6487 | |
| 808 | I | D | 0.0000 | |
| 809 | F | D | 0.0000 | |
| 810 | G | D | -0.4761 | |
| 811 | F | D | 0.0000 | |
| 812 | P | D | 0.0312 | |
| 813 | V | D | 0.4014 | |
| 814 | H | D | 0.1097 | |
| 815 | Y | D | 0.0000 | |
| 816 | T | D | 0.0000 | |
| 817 | D | D | 0.0000 | |
| 818 | V | D | 0.0000 | |
| 819 | S | D | -0.5199 | |
| 820 | N | D | -0.5290 | |
| 821 | M | D | 0.0000 | |
| 822 | G | D | -0.7777 | |
| 823 | R | D | -1.0193 | |
| 824 | G | D | -1.0995 | |
| 825 | A | D | -0.8048 | |
| 826 | R | D | 0.0000 | |
| 827 | Q | D | 0.0000 | |
| 828 | K | D | -1.6797 | |
| 829 | L | D | 0.0000 | |
| 830 | L | D | 0.0000 | |
| 831 | G | D | 0.0000 | |
| 832 | R | D | -2.0249 | |
| 833 | S | D | -0.9984 | |
| 834 | W | D | -0.3675 | |
| 835 | S | D | 0.0000 | |
| 836 | V | D | 0.0000 | |
| 837 | P | D | 0.0000 | |
| 838 | V | D | 0.0000 | |
| 839 | I | D | 0.0000 | |
| 840 | R | D | -0.8085 | |
| 841 | H | D | -0.1849 | |
| 842 | L | D | 0.0000 | |
| 843 | F | D | 0.0000 | |
| 844 | A | D | -0.8785 | |
| 845 | P | D | -0.7671 | |
| 846 | L | D | 0.0000 | |
| 847 | K | D | -1.6120 | |
| 848 | D | D | -2.0287 | |
| 849 | Y | D | -1.2621 | |
| 850 | F | D | 0.0000 | |
| 851 | A | D | -2.3073 | |
| 852 | C | D | -1.7472 | |
| 853 | E | D | -2.0165 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.9542 | 2.1194 | View | CSV | PDB |
| 4.5 | -0.9944 | 2.1155 | View | CSV | PDB |
| 5.0 | -1.0458 | 2.1151 | View | CSV | PDB |
| 5.5 | -1.0948 | 2.1252 | View | CSV | PDB |
| 6.0 | -1.1253 | 2.1598 | View | CSV | PDB |
| 6.5 | -1.1252 | 2.2347 | View | CSV | PDB |
| 7.0 | -1.0935 | 2.3487 | View | CSV | PDB |
| 7.5 | -1.0396 | 2.4858 | View | CSV | PDB |
| 8.0 | -0.9741 | 2.6335 | View | CSV | PDB |
| 8.5 | -0.9028 | 2.7855 | View | CSV | PDB |
| 9.0 | -0.8282 | 2.9382 | View | CSV | PDB |
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