| Chain sequence(s) |
A: IVASGGTSGSVGGANGASGDATVNASVVTGALAGGKVTLSASDRLSVEAPLITSNLGGASRGLELIATGPAGAVDISAPILFRNGSLAIRAGGNINFLSGGTPQTSGIVDLGSGTLWMQTSTAGKISQQAGTALIAANLAGRAGSIDLASWDNYAGNLALQTFNGTLKYRQSNATGVTTSGTVFDPFINQSMTGTAQNIVSSVGTRILEANSVGTTGNYTLTADGNSEFDRLVFTALPYRRVSGSASFPTNDSSDYLVTNLRYQVNGSNVTATPNGGAPSGFTVAAGNGSVTTWTGNWGTSWGVKGFGGVIGVTDELQYDVGTGLTEELIFGLGGKTSRVDTRLDLFMREGAFNSFAERAQVEMFKTTTTAGDILSRQQTATLTANDATRVYGDVNPTLTATMSGINAIDAYVNSQFNDLYQATASTTATQASNVGQYAITGNANGSEYFSQRYQLVRQDGRLTVTPAQLIVSADAKTKVYGDADPTLTYQVSGLKNSDTAAGVLSGNLGRVAGENVGNYGILQGGLGLNTANYTLSYVGNDLRIT
input PDB |
| Selected Chain(s) | A |
| 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 A 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 (00:02:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2fdfc5a14ad00b4/tmp/folded.pdb (00:02:40)
[INFO] Main: Simulation completed successfully. (00:04:47)
|
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 |
|---|---|---|---|---|
| 443 | I | A | 0.0000 | |
| 444 | V | A | -0.5341 | |
| 445 | A | A | -0.2920 | |
| 446 | S | A | -0.4774 | |
| 447 | G | A | -0.7563 | |
| 448 | G | A | -0.7533 | |
| 449 | T | A | -0.9055 | |
| 450 | S | A | -0.7009 | |
| 451 | G | A | -0.9097 | |
| 452 | S | A | -0.1321 | |
| 453 | V | A | 1.1352 | |
| 454 | G | A | -0.1410 | |
| 455 | G | A | -0.7028 | |
| 456 | A | A | -0.7814 | |
| 457 | N | A | -1.6629 | |
| 458 | G | A | -1.2448 | |
| 459 | A | A | -0.9962 | |
| 460 | S | A | -1.6152 | |
| 461 | G | A | -1.4810 | |
| 462 | D | A | -2.3926 | |
| 463 | A | A | -1.0834 | |
| 464 | T | A | -0.6276 | |
| 465 | V | A | 0.4508 | |
| 466 | N | A | 0.1471 | |
| 467 | A | A | 0.0000 | |
| 468 | S | A | 0.5971 | |
| 469 | V | A | 1.5565 | |
| 470 | V | A | 0.0000 | |
| 471 | T | A | 0.3232 | |
| 472 | G | A | 0.0371 | |
| 473 | A | A | -0.1187 | |
| 474 | L | A | 0.0000 | |
| 475 | A | A | -0.9627 | |
| 476 | G | A | -1.0256 | |
| 477 | G | A | -1.4330 | |
| 478 | K | A | -1.8615 | |
| 479 | V | A | -0.7270 | |
| 480 | T | A | -0.2627 | |
| 481 | L | A | 0.0686 | |
| 482 | S | A | -0.5978 | |
| 483 | A | A | -1.4163 | |
| 484 | S | A | -1.6485 | |
| 485 | D | A | -2.8853 | |
| 486 | R | A | -3.1115 | |
| 487 | L | A | 0.0000 | |
| 488 | S | A | -1.1642 | |
| 489 | V | A | 0.0000 | |
| 490 | E | A | -1.9136 | |
| 491 | A | A | 0.0000 | |
| 492 | P | A | -0.5538 | |
| 493 | L | A | 0.0000 | |
| 494 | I | A | 0.2632 | |
| 495 | T | A | -0.4875 | |
| 496 | S | A | -1.1278 | |
| 497 | N | A | -1.9756 | |
| 498 | L | A | 0.0000 | |
| 499 | G | A | -1.5895 | |
| 500 | G | A | -1.3254 | |
| 501 | A | A | -0.8014 | |
| 502 | S | A | -0.9338 | |
| 503 | R | A | -1.9240 | |
| 504 | G | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | E | A | 0.0000 | |
| 507 | L | A | 0.0000 | |
| 508 | I | A | 0.0000 | |
| 509 | A | A | 0.0000 | |
| 510 | T | A | -0.8601 | |
| 511 | G | A | -1.1521 | |
| 512 | P | A | -0.6229 | |
| 513 | A | A | -0.8913 | |
| 514 | G | A | 0.0000 | |
| 515 | A | A | -1.5875 | |
| 516 | V | A | 0.0000 | |
| 517 | D | A | 0.0000 | |
| 518 | I | A | 0.0000 | |
| 519 | S | A | -0.9380 | |
| 520 | A | A | 0.0000 | |
| 521 | P | A | 0.0000 | |
| 522 | I | A | 0.0000 | |
| 523 | L | A | 0.0000 | |
| 524 | F | A | 0.0000 | |
| 525 | R | A | -1.3572 | |
| 526 | N | A | -2.0735 | |
| 527 | G | A | 0.0000 | |
| 528 | S | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | A | A | 0.0000 | |
| 531 | I | A | 0.0000 | |
| 532 | R | A | 0.0000 | |
| 533 | A | A | 0.0000 | |
| 534 | G | A | -0.8865 | |
| 535 | G | A | 0.0000 | |
| 536 | N | A | -1.3534 | |
| 537 | I | A | 0.0000 | |
| 538 | N | A | -0.7486 | |
| 539 | F | A | 0.0000 | |
| 540 | L | A | -0.4188 | |
| 541 | S | A | -0.7827 | |
| 542 | G | A | -1.1977 | |
| 543 | G | A | -0.9342 | |
| 544 | T | A | -0.8623 | |
| 545 | P | A | -0.8571 | |
| 546 | Q | A | -1.4933 | |
| 547 | T | A | -1.2516 | |
| 548 | S | A | 0.0000 | |
| 549 | G | A | 0.0000 | |
| 550 | I | A | 0.0000 | |
| 551 | V | A | 0.0000 | |
| 552 | D | A | 0.0000 | |
| 553 | L | A | 0.0000 | |
| 554 | G | A | -0.6697 | |
| 555 | S | A | -0.6954 | |
| 556 | G | A | 0.0000 | |
| 557 | T | A | 0.0000 | |
| 558 | L | A | 0.0000 | |
| 559 | W | A | 0.0000 | |
| 560 | M | A | 0.0000 | |
| 561 | Q | A | 0.0000 | |
| 562 | T | A | 0.0000 | |
| 563 | S | A | -0.3866 | |
| 564 | T | A | 0.0000 | |
| 565 | A | A | -0.4642 | |
| 566 | G | A | 0.0000 | |
| 567 | K | A | -1.8257 | |
| 568 | I | A | 0.0000 | |
| 569 | S | A | -1.0711 | |
| 570 | Q | A | -0.8592 | |
| 571 | Q | A | -1.0314 | |
| 572 | A | A | -0.6215 | |
| 573 | G | A | -0.7647 | |
| 574 | T | A | 0.0000 | |
| 575 | A | A | 0.0000 | |
| 576 | L | A | 0.0000 | |
| 577 | I | A | 0.0000 | |
| 578 | A | A | 0.0000 | |
| 579 | A | A | -0.4537 | |
| 580 | N | A | -0.3266 | |
| 581 | L | A | 0.0000 | |
| 582 | A | A | 0.0000 | |
| 583 | G | A | 0.0000 | |
| 584 | R | A | 0.0000 | |
| 585 | A | A | 0.0000 | |
| 586 | G | A | 0.0000 | |
| 587 | S | A | 0.0000 | |
| 588 | I | A | 0.0000 | |
| 589 | D | A | -1.3425 | |
| 590 | L | A | 0.0000 | |
| 591 | A | A | -0.5990 | |
| 592 | S | A | -0.4319 | |
| 593 | W | A | -0.3171 | |
| 594 | D | A | -0.3023 | |
| 595 | N | A | 0.0000 | |
| 596 | Y | A | 0.0000 | |
| 597 | A | A | 0.0000 | |
| 598 | G | A | -0.5753 | |
| 599 | N | A | -0.5622 | |
| 600 | L | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | L | A | 0.0000 | |
| 603 | Q | A | -0.3394 | |
| 604 | T | A | 0.0000 | |
| 605 | F | A | 0.0000 | |
| 606 | N | A | -0.3638 | |
| 607 | G | A | -0.5383 | |
| 608 | T | A | -0.6643 | |
| 609 | L | A | 0.0000 | |
| 610 | K | A | -1.0819 | |
| 611 | Y | A | 0.0000 | |
| 612 | R | A | -0.6194 | |
| 613 | Q | A | 0.0000 | |
| 614 | S | A | 0.0000 | |
| 615 | N | A | 0.0000 | |
| 616 | A | A | -0.7477 | |
| 617 | T | A | -0.3922 | |
| 618 | G | A | -0.2859 | |
| 619 | V | A | 0.0611 | |
| 620 | T | A | -0.1178 | |
| 621 | T | A | 0.0000 | |
| 622 | S | A | -0.3638 | |
| 623 | G | A | -0.1550 | |
| 624 | T | A | 0.1889 | |
| 625 | V | A | 0.0000 | |
| 626 | F | A | 1.7549 | |
| 627 | D | A | 0.0000 | |
| 628 | P | A | 0.4612 | |
| 629 | F | A | 0.3993 | |
| 630 | I | A | 0.7895 | |
| 631 | N | A | -0.4054 | |
| 632 | Q | A | 0.0000 | |
| 633 | S | A | 0.5158 | |
| 634 | M | A | 0.0000 | |
| 635 | T | A | 0.0627 | |
| 636 | G | A | 0.0000 | |
| 637 | T | A | -0.3883 | |
| 638 | A | A | -0.4536 | |
| 639 | Q | A | -0.8755 | |
| 640 | N | A | -0.5890 | |
| 641 | I | A | -0.2864 | |
| 642 | V | A | -0.3126 | |
| 643 | S | A | -0.3445 | |
| 644 | S | A | -0.4749 | |
| 645 | V | A | -1.0037 | |
| 646 | G | A | 0.0000 | |
| 647 | T | A | -0.3741 | |
| 648 | R | A | -0.3605 | |
| 649 | I | A | 0.4813 | |
| 650 | L | A | 0.0000 | |
| 651 | E | A | -1.2523 | |
| 652 | A | A | 0.0000 | |
| 653 | N | A | -1.2634 | |
| 654 | S | A | -0.3162 | |
| 655 | V | A | 1.2352 | |
| 656 | G | A | 0.3394 | |
| 657 | T | A | 0.2891 | |
| 658 | T | A | -0.3063 | |
| 659 | G | A | -1.1992 | |
| 660 | N | A | -1.6719 | |
| 661 | Y | A | -0.8958 | |
| 662 | T | A | -1.1652 | |
| 663 | L | A | 0.0000 | |
| 664 | T | A | -1.8260 | |
| 665 | A | A | 0.0000 | |
| 666 | D | A | -2.6364 | |
| 667 | G | A | -2.1049 | |
| 668 | N | A | -2.7281 | |
| 669 | S | A | -2.3720 | |
| 670 | E | A | -2.8213 | |
| 671 | F | A | 0.0000 | |
| 672 | D | A | -1.5569 | |
| 673 | R | A | -0.8104 | |
| 674 | L | A | 0.0000 | |
| 675 | V | A | 0.0000 | |
| 676 | F | A | 0.0000 | |
| 677 | T | A | 0.0000 | |
| 678 | A | A | 0.0000 | |
| 679 | L | A | -0.0711 | |
| 680 | P | A | -0.3715 | |
| 681 | Y | A | 0.0000 | |
| 682 | R | A | -2.1821 | |
| 683 | R | A | -1.7340 | |
| 684 | V | A | -0.7474 | |
| 685 | S | A | -0.3821 | |
| 686 | G | A | -0.4880 | |
| 687 | S | A | -0.4820 | |
| 688 | A | A | -0.1365 | |
| 689 | S | A | -0.1449 | |
| 690 | F | A | -0.1571 | |
| 691 | P | A | -0.0912 | |
| 692 | T | A | -0.3108 | |
| 693 | N | A | -0.8113 | |
| 694 | D | A | -0.2712 | |
| 695 | S | A | 0.0000 | |
| 696 | S | A | 0.0000 | |
| 697 | D | A | -0.0071 | |
| 698 | Y | A | 0.0000 | |
| 699 | L | A | 0.0000 | |
| 700 | V | A | 0.0000 | |
| 701 | T | A | 0.0000 | |
| 702 | N | A | 0.0000 | |
| 703 | L | A | 0.0000 | |
| 704 | R | A | -2.9399 | |
| 705 | Y | A | 0.0000 | |
| 706 | Q | A | -3.1644 | |
| 707 | V | A | 0.0000 | |
| 708 | N | A | -2.2849 | |
| 709 | G | A | -1.7935 | |
| 710 | S | A | -1.8267 | |
| 711 | N | A | -2.5498 | |
| 712 | V | A | 0.0000 | |
| 713 | T | A | -1.4898 | |
| 714 | A | A | 0.0000 | |
| 715 | T | A | -0.9588 | |
| 716 | P | A | -0.7915 | |
| 717 | N | A | -1.5756 | |
| 718 | G | A | -1.1488 | |
| 719 | G | A | -1.1979 | |
| 720 | A | A | -0.7700 | |
| 721 | P | A | -0.5538 | |
| 722 | S | A | -0.4825 | |
| 723 | G | A | -0.5427 | |
| 724 | F | A | -0.1128 | |
| 725 | T | A | 0.1861 | |
| 726 | V | A | 0.7399 | |
| 727 | A | A | 0.4855 | |
| 728 | A | A | 0.0121 | |
| 729 | G | A | 0.0000 | |
| 730 | N | A | 0.0000 | |
| 731 | G | A | -0.9112 | |
| 732 | S | A | -0.8500 | |
| 733 | V | A | 0.0702 | |
| 734 | T | A | -0.2980 | |
| 735 | T | A | -0.2668 | |
| 736 | W | A | 0.1400 | |
| 737 | T | A | -0.1947 | |
| 738 | G | A | -0.4819 | |
| 739 | N | A | -0.9994 | |
| 740 | W | A | 0.0759 | |
| 741 | G | A | -0.3954 | |
| 742 | T | A | -0.4134 | |
| 743 | S | A | 0.0000 | |
| 744 | W | A | 0.0000 | |
| 745 | G | A | 0.0000 | |
| 746 | V | A | 0.0000 | |
| 747 | K | A | -1.8923 | |
| 748 | G | A | -1.2860 | |
| 749 | F | A | -0.6970 | |
| 750 | G | A | -0.4971 | |
| 751 | G | A | -0.3962 | |
| 752 | V | A | 0.5249 | |
| 753 | I | A | 1.3557 | |
| 754 | G | A | 0.5363 | |
| 755 | V | A | 0.5819 | |
| 756 | T | A | -0.2918 | |
| 757 | D | A | -0.8231 | |
| 758 | E | A | 0.0000 | |
| 759 | L | A | 0.0000 | |
| 760 | Q | A | 0.0000 | |
| 761 | Y | A | 0.2698 | |
| 762 | D | A | 0.2024 | |
| 763 | V | A | 0.4735 | |
| 764 | G | A | -0.2981 | |
| 765 | T | A | -0.0054 | |
| 766 | G | A | 0.0946 | |
| 767 | L | A | 0.2204 | |
| 768 | T | A | 0.1899 | |
| 769 | E | A | 0.0000 | |
| 770 | E | A | 0.0000 | |
| 771 | L | A | 0.0000 | |
| 772 | I | A | 0.4242 | |
| 773 | F | A | 0.0000 | |
| 774 | G | A | 0.0000 | |
| 775 | L | A | 0.0000 | |
| 776 | G | A | -0.8747 | |
| 777 | G | A | -1.6284 | |
| 778 | K | A | -2.6297 | |
| 779 | T | A | 0.0000 | |
| 780 | S | A | -2.6385 | |
| 781 | R | A | -2.9878 | |
| 782 | V | A | 0.0000 | |
| 783 | D | A | -2.0951 | |
| 784 | T | A | 0.0000 | |
| 785 | R | A | -1.6744 | |
| 786 | L | A | 0.0000 | |
| 787 | D | A | 0.0000 | |
| 788 | L | A | 0.1282 | |
| 789 | F | A | 0.0000 | |
| 790 | M | A | -0.1686 | |
| 791 | R | A | -0.6413 | |
| 792 | E | A | -0.3076 | |
| 793 | G | A | -0.4189 | |
| 794 | A | A | 0.3857 | |
| 795 | F | A | 1.5874 | |
| 796 | N | A | 0.3094 | |
| 797 | S | A | 0.0000 | |
| 798 | F | A | 0.0000 | |
| 799 | A | A | 0.0000 | |
| 800 | E | A | 0.0000 | |
| 801 | R | A | -0.9069 | |
| 802 | A | A | 0.0000 | |
| 803 | Q | A | -0.0493 | |
| 804 | V | A | 0.0000 | |
| 805 | E | A | 0.0000 | |
| 806 | M | A | 0.0000 | |
| 807 | F | A | 0.0000 | |
| 808 | K | A | -1.2436 | |
| 809 | T | A | -0.8347 | |
| 810 | T | A | -0.2909 | |
| 811 | T | A | -0.2528 | |
| 812 | T | A | -0.2962 | |
| 813 | A | A | -0.4558 | |
| 814 | G | A | -0.6339 | |
| 815 | D | A | -0.9482 | |
| 816 | I | A | -0.2170 | |
| 817 | L | A | -0.0075 | |
| 818 | S | A | -0.6011 | |
| 819 | R | A | -1.6604 | |
| 820 | Q | A | -1.4812 | |
| 821 | Q | A | -0.9705 | |
| 822 | T | A | -0.5404 | |
| 823 | A | A | 0.0000 | |
| 824 | T | A | -0.4796 | |
| 825 | L | A | 0.0000 | |
| 826 | T | A | -1.5870 | |
| 827 | A | A | 0.0000 | |
| 828 | N | A | -2.3148 | |
| 829 | D | A | -3.0307 | |
| 830 | A | A | -1.6467 | |
| 831 | T | A | -0.7924 | |
| 832 | R | A | 0.0000 | |
| 833 | V | A | -0.1151 | |
| 834 | Y | A | 0.0000 | |
| 835 | G | A | 0.0000 | |
| 836 | D | A | -0.8813 | |
| 837 | V | A | 0.6911 | |
| 838 | N | A | 0.0511 | |
| 839 | P | A | 0.0462 | |
| 840 | T | A | 0.1130 | |
| 841 | L | A | -0.3859 | |
| 842 | T | A | -0.5113 | |
| 843 | A | A | -0.8878 | |
| 844 | T | A | -0.3837 | |
| 845 | M | A | -0.1981 | |
| 846 | S | A | -0.2186 | |
| 847 | G | A | -0.3658 | |
| 848 | I | A | -0.1234 | |
| 849 | N | A | -0.2986 | |
| 850 | A | A | -0.1343 | |
| 851 | I | A | 0.0000 | |
| 852 | D | A | 0.0000 | |
| 853 | A | A | -0.3211 | |
| 854 | Y | A | 0.0000 | |
| 855 | V | A | 0.0000 | |
| 856 | N | A | -1.1595 | |
| 857 | S | A | -1.0169 | |
| 858 | Q | A | -1.0721 | |
| 859 | F | A | -1.0810 | |
| 860 | N | A | -2.0010 | |
| 861 | D | A | -1.9637 | |
| 862 | L | A | 0.0000 | |
| 863 | Y | A | -1.4654 | |
| 864 | Q | A | -1.6383 | |
| 865 | A | A | -0.7286 | |
| 866 | T | A | -0.5360 | |
| 867 | A | A | -0.4673 | |
| 868 | S | A | -0.3897 | |
| 869 | T | A | -0.4831 | |
| 870 | T | A | -0.0566 | |
| 871 | A | A | 0.0000 | |
| 872 | T | A | -0.5704 | |
| 873 | Q | A | -1.1026 | |
| 874 | A | A | -0.9636 | |
| 875 | S | A | -1.1520 | |
| 876 | N | A | -1.3182 | |
| 877 | V | A | -0.3566 | |
| 878 | G | A | -0.9870 | |
| 879 | Q | A | -1.6692 | |
| 880 | Y | A | -1.3294 | |
| 881 | A | A | -1.4903 | |
| 882 | I | A | 0.0000 | |
| 883 | T | A | -1.5169 | |
| 884 | G | A | 0.0000 | |
| 885 | N | A | -1.1824 | |
| 886 | A | A | -1.1438 | |
| 887 | N | A | -2.0266 | |
| 888 | G | A | -1.6342 | |
| 889 | S | A | -1.6251 | |
| 890 | E | A | -2.0830 | |
| 891 | Y | A | -1.0986 | |
| 892 | F | A | 0.0000 | |
| 893 | S | A | -1.2454 | |
| 894 | Q | A | -1.2597 | |
| 895 | R | A | 0.0000 | |
| 896 | Y | A | 0.0000 | |
| 897 | Q | A | -1.0121 | |
| 898 | L | A | -0.2570 | |
| 899 | V | A | -0.2554 | |
| 900 | R | A | -2.0656 | |
| 901 | Q | A | -2.4134 | |
| 902 | D | A | -3.4146 | |
| 903 | G | A | 0.0000 | |
| 904 | R | A | -3.2871 | |
| 905 | L | A | 0.0000 | |
| 906 | T | A | -1.0979 | |
| 907 | V | A | 0.0000 | |
| 908 | T | A | -0.3874 | |
| 909 | P | A | -0.3295 | |
| 910 | A | A | 0.0000 | |
| 911 | Q | A | -1.0656 | |
| 912 | L | A | 0.0000 | |
| 913 | I | A | 0.4622 | |
| 914 | V | A | 0.0000 | |
| 915 | S | A | 0.0552 | |
| 916 | A | A | 0.0000 | |
| 917 | D | A | -0.7259 | |
| 918 | A | A | -1.0522 | |
| 919 | K | A | -1.3895 | |
| 920 | T | A | -0.8441 | |
| 921 | K | A | 0.0000 | |
| 922 | V | A | 1.2331 | |
| 923 | Y | A | 0.9517 | |
| 924 | G | A | -0.6684 | |
| 925 | D | A | -1.5348 | |
| 926 | A | A | -1.2487 | |
| 927 | D | A | -1.6943 | |
| 928 | P | A | -0.8979 | |
| 929 | T | A | -0.3134 | |
| 930 | L | A | -0.1252 | |
| 931 | T | A | -0.2827 | |
| 932 | Y | A | -0.3147 | |
| 933 | Q | A | -0.7630 | |
| 934 | V | A | -0.0040 | |
| 935 | S | A | -0.2991 | |
| 936 | G | A | -0.2811 | |
| 937 | L | A | -0.2771 | |
| 938 | K | A | -1.3386 | |
| 939 | N | A | -1.2995 | |
| 940 | S | A | -0.8274 | |
| 941 | D | A | -0.9633 | |
| 942 | T | A | -0.5138 | |
| 943 | A | A | -0.2601 | |
| 944 | A | A | -0.4329 | |
| 945 | G | A | -0.8091 | |
| 946 | V | A | 0.0000 | |
| 947 | L | A | 0.0000 | |
| 948 | S | A | -1.0066 | |
| 949 | G | A | -1.5397 | |
| 950 | N | A | -1.6546 | |
| 951 | L | A | -0.7922 | |
| 952 | G | A | -0.2946 | |
| 953 | R | A | 0.0835 | |
| 954 | V | A | 0.6869 | |
| 955 | A | A | -0.0510 | |
| 956 | G | A | -0.9845 | |
| 957 | E | A | -2.2401 | |
| 958 | N | A | -1.2475 | |
| 959 | V | A | 0.6617 | |
| 960 | G | A | -0.8854 | |
| 961 | N | A | -2.0333 | |
| 962 | Y | A | -1.0548 | |
| 963 | G | A | -0.6952 | |
| 964 | I | A | 0.0000 | |
| 965 | L | A | 0.5305 | |
| 966 | Q | A | -0.4791 | |
| 967 | G | A | -0.9197 | |
| 968 | G | A | -1.3096 | |
| 969 | L | A | 0.0000 | |
| 970 | G | A | -0.7272 | |
| 971 | L | A | -0.3355 | |
| 972 | N | A | -1.2628 | |
| 973 | T | A | -0.6955 | |
| 974 | A | A | -0.3403 | |
| 975 | N | A | -0.5898 | |
| 976 | Y | A | 0.0000 | |
| 977 | T | A | -0.2818 | |
| 978 | L | A | 0.2020 | |
| 979 | S | A | 0.3976 | |
| 980 | Y | A | 1.1010 | |
| 981 | V | A | 1.1543 | |
| 982 | G | A | -0.0357 | |
| 983 | N | A | -1.2530 | |
| 984 | D | A | -1.8850 | |
| 985 | L | A | 0.0000 | |
| 986 | R | A | -2.2612 | |
| 987 | I | A | 0.0000 | |
| 988 | T | A | 0.6553 |
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 | -0.2606 | 4.2337 | View | CSV | PDB |
| 4.5 | -0.2913 | 4.2224 | View | CSV | PDB |
| 5.0 | -0.3268 | 4.2065 | View | CSV | PDB |
| 5.5 | -0.3632 | 4.1886 | View | CSV | PDB |
| 6.0 | -0.3969 | 4.1715 | View | CSV | PDB |
| 6.5 | -0.4245 | 4.158 | View | CSV | PDB |
| 7.0 | -0.4452 | 4.15 | View | CSV | PDB |
| 7.5 | -0.461 | 4.1464 | View | CSV | PDB |
| 8.0 | -0.4729 | 4.1451 | View | CSV | PDB |
| 8.5 | -0.4801 | 4.1447 | View | CSV | PDB |
| 9.0 | -0.481 | 4.1446 | 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