Project name: RECQL4_catalytic_465-1208_dynamic
Status: done
Started: 2026-07-07 13:18:00
| Chain sequence(s) |
A: TPAEVFQALEQLGHQAFRPGQERAVMRILSGISTLLVLPTGAGKSLCYQLPALLYSRRSPCLTLVVSPLLSLMDDQVSGLPPCLKAACIHSGMTRKQRESVLQKIRAAQVHVLMLTPEALVGAGGLPPAAQLPPVAFACIDEAHCLSQWSHNFRPCYLRVCKVLRERMGVHCFLGLTATATRRTASDVAQHLAVAEEPDLHGPAPVPTNLHLSVSMDRDTDQALLTLLQGKRFQNLDSIIIYCNRREDTERIAALLRTCLHAAWVPGSGGRAPKTTAEAYHAGMCSRERRRVQRAFMQGQLRVVVATVAFGMGLDRPDVRAVLHLGLPPSFESYVQAVGRAGRDGQPAHCHLFLQPQGEDLRELRRHVHADSTDFLAVKRLVQRVFPACTCTCTRPPSEQEGAVGGERPVPKYPPQEAEQLSHQAAPGPRRVCMGHERALPIQLTVQALDMPEEAIETLLCYLELHPHHWLELLATTYTHCRLNCPGGPAQLQALAHRCPPLAVCLAQQLPEDPGQGSSSVEFDMVKLVDSMGWELASVRRALCQLQWDHEPRTGVRRGTGVLVEFSELAFHLRSPGDLTAEEKDQICDFLYGRVQARERQALARLRRTFQAFHSVAFPSCGPCLEQQDEERSTRLKDLLGRYFEEEEGQEPGGMEDAQGPEPGQARLQDWEDQVRCDIRQFLSLRPEEKFSSRAVARIFHGIGSPCYPAQVYGQDRRFWRKYLHLSFHALVGLATEELLQVAR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| 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] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:11:24)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:23:10)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:23:16)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:23:22)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:23:28)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:23:34)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:23:40)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:23:46)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:23:53)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:23:59)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:24:05)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:24:10)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:24:16)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:24:23)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:24:39)
[INFO] Main: Simulation completed successfully. (02:24:45)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -3.919
- Maximal score value
- 1.7622
- Average score
- -0.7412
- Total score value
- -551.4258
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 |
|---|---|---|---|---|
| 465 | T | A | 0.2223 | |
| 466 | P | A | 0.2046 | |
| 467 | A | A | 0.2448 | |
| 468 | E | A | -0.2687 | |
| 469 | V | A | 0.4820 | |
| 470 | F | A | 1.0478 | |
| 471 | Q | A | -0.5122 | |
| 472 | A | A | 0.0000 | |
| 473 | L | A | -0.5360 | |
| 474 | E | A | -1.7457 | |
| 475 | Q | A | -1.2185 | |
| 476 | L | A | 0.0000 | |
| 477 | G | A | -1.5571 | |
| 478 | H | A | -1.4967 | |
| 479 | Q | A | 0.0000 | |
| 480 | A | A | -0.6532 | |
| 481 | F | A | 0.0000 | |
| 482 | R | A | -1.4409 | |
| 483 | P | A | -1.1656 | |
| 484 | G | A | -1.4508 | |
| 485 | Q | A | 0.0000 | |
| 486 | E | A | -0.7178 | |
| 487 | R | A | -1.5300 | |
| 488 | A | A | 0.0000 | |
| 489 | V | A | 0.0000 | |
| 490 | M | A | 0.5841 | |
| 491 | R | A | 0.1294 | |
| 492 | I | A | 0.0000 | |
| 493 | L | A | 0.9305 | |
| 494 | S | A | 0.3985 | |
| 495 | G | A | 0.3452 | |
| 496 | I | A | 1.1154 | |
| 497 | S | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | L | A | 0.0000 | |
| 500 | L | A | 0.0000 | |
| 501 | V | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | P | A | 0.0000 | |
| 504 | T | A | -0.3866 | |
| 505 | G | A | -0.7889 | |
| 506 | A | A | -0.4754 | |
| 507 | G | A | 0.0000 | |
| 508 | K | A | 0.0000 | |
| 509 | S | A | 0.0000 | |
| 510 | L | A | 0.0000 | |
| 511 | C | A | 0.0000 | |
| 512 | Y | A | 0.0000 | |
| 513 | Q | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | P | A | 0.0000 | |
| 516 | A | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | L | A | -0.8476 | |
| 519 | Y | A | -0.8032 | |
| 520 | S | A | 0.0000 | |
| 521 | R | A | -2.7033 | |
| 522 | R | A | -2.7926 | |
| 523 | S | A | -1.6947 | |
| 524 | P | A | -1.0738 | |
| 525 | C | A | -0.7612 | |
| 526 | L | A | 0.0000 | |
| 527 | T | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | S | A | 0.0000 | |
| 532 | P | A | 0.0000 | |
| 533 | L | A | 0.5918 | |
| 534 | L | A | 0.5661 | |
| 535 | S | A | -0.0952 | |
| 536 | L | A | 0.0000 | |
| 537 | M | A | 0.0000 | |
| 538 | D | A | -0.5125 | |
| 539 | D | A | -0.8319 | |
| 540 | Q | A | 0.0000 | |
| 541 | V | A | -0.2209 | |
| 542 | S | A | -0.4072 | |
| 543 | G | A | -0.4754 | |
| 544 | L | A | 0.0000 | |
| 545 | P | A | -0.4127 | |
| 546 | P | A | -0.3111 | |
| 547 | C | A | -0.0832 | |
| 548 | L | A | 0.1988 | |
| 549 | K | A | -0.5849 | |
| 550 | A | A | -0.0928 | |
| 551 | A | A | -0.2446 | |
| 552 | C | A | -0.0223 | |
| 553 | I | A | 0.0000 | |
| 554 | H | A | -0.8437 | |
| 555 | S | A | -1.0806 | |
| 556 | G | A | -1.0782 | |
| 557 | M | A | 0.0000 | |
| 558 | T | A | -2.3346 | |
| 559 | R | A | -3.6421 | |
| 560 | K | A | -3.6619 | |
| 561 | Q | A | -3.0800 | |
| 562 | R | A | -3.0085 | |
| 563 | E | A | -3.7236 | |
| 564 | S | A | -2.7328 | |
| 565 | V | A | -2.1098 | |
| 566 | L | A | 0.0000 | |
| 567 | Q | A | -2.8350 | |
| 568 | K | A | -2.9168 | |
| 569 | I | A | 0.0000 | |
| 570 | R | A | -2.8839 | |
| 571 | A | A | -1.7975 | |
| 572 | A | A | -1.4266 | |
| 573 | Q | A | -1.5703 | |
| 574 | V | A | 0.0000 | |
| 575 | H | A | 0.0000 | |
| 576 | V | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | M | A | 0.0000 | |
| 579 | L | A | 0.0000 | |
| 580 | T | A | 0.0000 | |
| 581 | P | A | 0.0000 | |
| 582 | E | A | -1.7257 | |
| 583 | A | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | V | A | -0.4667 | |
| 586 | G | A | -0.7378 | |
| 587 | A | A | -1.1168 | |
| 588 | G | A | -0.4758 | |
| 589 | G | A | -0.1654 | |
| 590 | L | A | 0.1026 | |
| 591 | P | A | 0.0000 | |
| 592 | P | A | -0.6971 | |
| 593 | A | A | -0.4259 | |
| 594 | A | A | -0.6691 | |
| 595 | Q | A | -1.4186 | |
| 596 | L | A | 0.0000 | |
| 597 | P | A | 0.0000 | |
| 598 | P | A | -0.5403 | |
| 599 | V | A | 0.0604 | |
| 600 | A | A | 0.0937 | |
| 601 | F | A | 0.0000 | |
| 602 | A | A | 0.0000 | |
| 603 | C | A | 0.0000 | |
| 604 | I | A | 0.0000 | |
| 605 | D | A | 0.0000 | |
| 606 | E | A | 0.0000 | |
| 607 | A | A | 0.0000 | |
| 608 | H | A | 0.0000 | |
| 609 | C | A | 0.0000 | |
| 610 | L | A | 0.0000 | |
| 611 | S | A | 0.0000 | |
| 612 | Q | A | -0.3618 | |
| 613 | W | A | 0.0000 | |
| 614 | S | A | -0.4696 | |
| 615 | H | A | -0.3087 | |
| 616 | N | A | 0.0000 | |
| 617 | F | A | -0.4364 | |
| 618 | R | A | -0.9143 | |
| 619 | P | A | 0.0000 | |
| 620 | C | A | -0.4801 | |
| 621 | Y | A | 0.0000 | |
| 622 | L | A | -0.2615 | |
| 623 | R | A | -0.5996 | |
| 624 | V | A | 0.0000 | |
| 625 | C | A | 0.0000 | |
| 626 | K | A | -1.6521 | |
| 627 | V | A | 0.0000 | |
| 628 | L | A | 0.0000 | |
| 629 | R | A | -2.1733 | |
| 630 | E | A | -2.4075 | |
| 631 | R | A | 0.0000 | |
| 632 | M | A | -0.5931 | |
| 633 | G | A | -0.3467 | |
| 634 | V | A | 1.0813 | |
| 635 | H | A | 0.3801 | |
| 636 | C | A | 0.4449 | |
| 637 | F | A | 0.0000 | |
| 638 | L | A | 0.0000 | |
| 639 | G | A | 0.0000 | |
| 640 | L | A | 0.0000 | |
| 641 | T | A | 0.0000 | |
| 642 | A | A | 0.0000 | |
| 643 | T | A | 0.0000 | |
| 644 | A | A | 0.0000 | |
| 645 | T | A | 0.0000 | |
| 646 | R | A | -2.8258 | |
| 647 | R | A | -2.1666 | |
| 648 | T | A | 0.0000 | |
| 649 | A | A | -1.1598 | |
| 650 | S | A | -1.3109 | |
| 651 | D | A | -1.0146 | |
| 652 | V | A | 0.0000 | |
| 653 | A | A | 0.0000 | |
| 654 | Q | A | -0.9201 | |
| 655 | H | A | -0.9600 | |
| 656 | L | A | 0.0000 | |
| 657 | A | A | 0.7334 | |
| 658 | V | A | 0.9520 | |
| 659 | A | A | -0.2115 | |
| 660 | E | A | -1.9677 | |
| 661 | E | A | -2.0769 | |
| 662 | P | A | -1.6931 | |
| 663 | D | A | -2.0977 | |
| 664 | L | A | 0.0000 | |
| 665 | H | A | -1.3234 | |
| 666 | G | A | 0.0000 | |
| 667 | P | A | -0.5685 | |
| 668 | A | A | -0.8215 | |
| 669 | P | A | -0.9746 | |
| 670 | V | A | 0.0000 | |
| 671 | P | A | -0.6819 | |
| 672 | T | A | 0.0000 | |
| 673 | N | A | -0.8745 | |
| 674 | L | A | 0.0000 | |
| 675 | H | A | -1.7573 | |
| 676 | L | A | 0.0000 | |
| 677 | S | A | 0.0000 | |
| 678 | V | A | 0.0000 | |
| 679 | S | A | 0.0000 | |
| 680 | M | A | 0.0000 | |
| 681 | D | A | -2.6374 | |
| 682 | R | A | -2.6955 | |
| 683 | D | A | -2.8411 | |
| 684 | T | A | 0.0000 | |
| 685 | D | A | -2.0770 | |
| 686 | Q | A | -2.0216 | |
| 687 | A | A | 0.0000 | |
| 688 | L | A | 0.0000 | |
| 689 | L | A | -0.3328 | |
| 690 | T | A | -0.7674 | |
| 691 | L | A | 0.0000 | |
| 692 | L | A | 0.0000 | |
| 693 | Q | A | -1.1425 | |
| 694 | G | A | 0.0000 | |
| 695 | K | A | -2.9860 | |
| 696 | R | A | -2.9553 | |
| 697 | F | A | 0.0000 | |
| 698 | Q | A | -1.8252 | |
| 699 | N | A | -2.3494 | |
| 700 | L | A | 0.0000 | |
| 701 | D | A | -1.2519 | |
| 702 | S | A | 0.0000 | |
| 703 | I | A | 0.0000 | |
| 704 | I | A | 0.0000 | |
| 705 | I | A | 0.0000 | |
| 706 | Y | A | 0.3157 | |
| 707 | C | A | 0.0000 | |
| 708 | N | A | -1.0302 | |
| 709 | R | A | -2.5665 | |
| 710 | R | A | -3.5855 | |
| 711 | E | A | -3.9190 | |
| 712 | D | A | 0.0000 | |
| 713 | T | A | 0.0000 | |
| 714 | E | A | -3.2423 | |
| 715 | R | A | -3.3490 | |
| 716 | I | A | 0.0000 | |
| 717 | A | A | -1.7973 | |
| 718 | A | A | -1.5818 | |
| 719 | L | A | -1.3265 | |
| 720 | L | A | 0.0000 | |
| 721 | R | A | -2.3156 | |
| 722 | T | A | -1.0128 | |
| 723 | C | A | 0.0000 | |
| 724 | L | A | -0.6629 | |
| 725 | H | A | -0.9325 | |
| 726 | A | A | -0.1409 | |
| 727 | A | A | 0.5459 | |
| 728 | W | A | 1.0029 | |
| 729 | V | A | 1.6349 | |
| 730 | P | A | 1.0023 | |
| 731 | G | A | 0.0287 | |
| 732 | S | A | -0.4473 | |
| 733 | G | A | -0.9074 | |
| 734 | G | A | -1.0595 | |
| 735 | R | A | -1.3490 | |
| 736 | A | A | -1.0431 | |
| 737 | P | A | -1.6414 | |
| 738 | K | A | -2.1827 | |
| 739 | T | A | -1.5361 | |
| 740 | T | A | -1.5810 | |
| 741 | A | A | 0.0000 | |
| 742 | E | A | -1.4423 | |
| 743 | A | A | -1.4340 | |
| 744 | Y | A | 0.0000 | |
| 745 | H | A | -0.6400 | |
| 746 | A | A | 0.0717 | |
| 747 | G | A | -0.3993 | |
| 748 | M | A | -0.2071 | |
| 749 | C | A | -0.9687 | |
| 750 | S | A | -1.8901 | |
| 751 | R | A | -3.5280 | |
| 752 | E | A | -3.0838 | |
| 753 | R | A | -2.8548 | |
| 754 | R | A | -3.8582 | |
| 755 | R | A | -3.9113 | |
| 756 | V | A | 0.0000 | |
| 757 | Q | A | -2.5220 | |
| 758 | R | A | -2.8571 | |
| 759 | A | A | 0.0000 | |
| 760 | F | A | -0.8062 | |
| 761 | M | A | -0.4130 | |
| 762 | Q | A | -1.3539 | |
| 763 | G | A | -1.0491 | |
| 764 | Q | A | -1.5624 | |
| 765 | L | A | 0.0000 | |
| 766 | R | A | -1.1310 | |
| 767 | V | A | 0.0000 | |
| 768 | V | A | 0.0000 | |
| 769 | V | A | 0.0000 | |
| 770 | A | A | 0.0000 | |
| 771 | T | A | 0.0000 | |
| 772 | V | A | 1.2082 | |
| 773 | A | A | 1.0445 | |
| 774 | F | A | 0.9464 | |
| 775 | G | A | 0.3763 | |
| 776 | M | A | 0.0000 | |
| 777 | G | A | 0.0334 | |
| 778 | L | A | 0.0000 | |
| 779 | D | A | -1.1389 | |
| 780 | R | A | -1.9425 | |
| 781 | P | A | -1.2694 | |
| 782 | D | A | -0.9032 | |
| 783 | V | A | 0.0000 | |
| 784 | R | A | -1.4027 | |
| 785 | A | A | 0.0000 | |
| 786 | V | A | 0.0000 | |
| 787 | L | A | 0.0000 | |
| 788 | H | A | 0.0000 | |
| 789 | L | A | 0.0000 | |
| 790 | G | A | 0.0000 | |
| 791 | L | A | 0.0000 | |
| 792 | P | A | 0.0000 | |
| 793 | P | A | 0.0000 | |
| 794 | S | A | -0.2510 | |
| 795 | F | A | 0.0000 | |
| 796 | E | A | 0.0000 | |
| 797 | S | A | 0.0000 | |
| 798 | Y | A | 0.0000 | |
| 799 | V | A | 0.0000 | |
| 800 | Q | A | 0.0000 | |
| 801 | A | A | 0.0000 | |
| 802 | V | A | 0.0000 | |
| 803 | G | A | -0.4970 | |
| 804 | R | A | -0.8944 | |
| 805 | A | A | 0.0000 | |
| 806 | G | A | -1.6421 | |
| 807 | R | A | -2.1450 | |
| 808 | D | A | -2.5700 | |
| 809 | G | A | -1.8758 | |
| 810 | Q | A | -1.7910 | |
| 811 | P | A | -1.4013 | |
| 812 | A | A | 0.0000 | |
| 813 | H | A | -0.7947 | |
| 814 | C | A | 0.0000 | |
| 815 | H | A | 0.0000 | |
| 816 | L | A | 0.0000 | |
| 817 | F | A | 0.0000 | |
| 818 | L | A | 0.0000 | |
| 819 | Q | A | -1.8885 | |
| 820 | P | A | -1.7914 | |
| 821 | Q | A | -1.9245 | |
| 822 | G | A | -1.3542 | |
| 823 | E | A | -1.7427 | |
| 824 | D | A | -1.3755 | |
| 825 | L | A | -1.0614 | |
| 826 | R | A | -1.3052 | |
| 827 | E | A | -1.4859 | |
| 828 | L | A | -0.6790 | |
| 829 | R | A | 0.0000 | |
| 830 | R | A | -1.1278 | |
| 831 | H | A | -0.9670 | |
| 832 | V | A | 0.0000 | |
| 833 | H | A | 0.0000 | |
| 834 | A | A | -0.5835 | |
| 835 | D | A | -0.7285 | |
| 836 | S | A | 0.0000 | |
| 837 | T | A | 0.0000 | |
| 838 | D | A | 0.4239 | |
| 839 | F | A | 0.8285 | |
| 840 | L | A | 1.0806 | |
| 841 | A | A | 0.0000 | |
| 842 | V | A | 0.0000 | |
| 843 | K | A | -1.0746 | |
| 844 | R | A | -1.2663 | |
| 845 | L | A | 0.0000 | |
| 846 | V | A | 0.0000 | |
| 847 | Q | A | -1.9433 | |
| 848 | R | A | -1.3910 | |
| 849 | V | A | 0.0000 | |
| 850 | F | A | 0.0000 | |
| 851 | P | A | -0.7245 | |
| 852 | A | A | -0.0278 | |
| 853 | C | A | 0.4110 | |
| 854 | T | A | -0.1952 | |
| 855 | C | A | 0.5852 | |
| 856 | T | A | -0.0101 | |
| 857 | C | A | 0.0877 | |
| 858 | T | A | 0.0000 | |
| 859 | R | A | -2.7162 | |
| 860 | P | A | -2.2464 | |
| 861 | P | A | -2.1768 | |
| 862 | S | A | -2.5542 | |
| 863 | E | A | -2.6411 | |
| 864 | Q | A | -2.0050 | |
| 865 | E | A | -2.1219 | |
| 866 | G | A | -1.9280 | |
| 867 | A | A | -2.1769 | |
| 868 | V | A | 0.0000 | |
| 869 | G | A | -1.6829 | |
| 870 | G | A | -1.9160 | |
| 871 | E | A | -2.9566 | |
| 872 | R | A | -2.8453 | |
| 873 | P | A | -1.8058 | |
| 874 | V | A | -0.1376 | |
| 875 | P | A | -0.4941 | |
| 876 | K | A | -1.9570 | |
| 877 | Y | A | -1.8426 | |
| 878 | P | A | -1.1566 | |
| 879 | P | A | -1.9292 | |
| 880 | Q | A | -2.8502 | |
| 881 | E | A | -2.9278 | |
| 882 | A | A | -2.7322 | |
| 883 | E | A | -3.1315 | |
| 884 | Q | A | -2.5856 | |
| 885 | L | A | -1.9600 | |
| 886 | S | A | -1.7119 | |
| 887 | H | A | -1.7479 | |
| 888 | Q | A | -1.2640 | |
| 889 | A | A | 0.0000 | |
| 890 | A | A | -1.7298 | |
| 891 | P | A | 0.0000 | |
| 892 | G | A | -1.5282 | |
| 893 | P | A | 0.0000 | |
| 894 | R | A | -3.2000 | |
| 895 | R | A | -2.2033 | |
| 896 | V | A | 0.2866 | |
| 897 | C | A | 0.8355 | |
| 898 | M | A | 0.9151 | |
| 899 | G | A | 0.1394 | |
| 900 | H | A | -0.6857 | |
| 901 | E | A | 0.0000 | |
| 902 | R | A | -1.0436 | |
| 903 | A | A | -0.5104 | |
| 904 | L | A | 0.0000 | |
| 905 | P | A | 0.1645 | |
| 906 | I | A | -0.1364 | |
| 907 | Q | A | -0.8801 | |
| 908 | L | A | 0.0318 | |
| 909 | T | A | 0.0000 | |
| 910 | V | A | -0.8885 | |
| 911 | Q | A | -1.2685 | |
| 912 | A | A | -0.8164 | |
| 913 | L | A | 0.0000 | |
| 914 | D | A | -0.9327 | |
| 915 | M | A | 0.0000 | |
| 916 | P | A | -0.9449 | |
| 917 | E | A | -1.2769 | |
| 918 | E | A | -1.0975 | |
| 919 | A | A | 0.0000 | |
| 920 | I | A | 0.0000 | |
| 921 | E | A | -0.7589 | |
| 922 | T | A | -0.5237 | |
| 923 | L | A | 0.0000 | |
| 924 | L | A | 0.0000 | |
| 925 | C | A | 0.2067 | |
| 926 | Y | A | 0.4816 | |
| 927 | L | A | 0.0000 | |
| 928 | E | A | 0.1285 | |
| 929 | L | A | 1.1426 | |
| 930 | H | A | 0.0000 | |
| 931 | P | A | -0.1688 | |
| 932 | H | A | -0.7955 | |
| 933 | H | A | -0.7357 | |
| 934 | W | A | 0.0000 | |
| 935 | L | A | 0.0000 | |
| 936 | E | A | -1.3889 | |
| 937 | L | A | -0.6039 | |
| 938 | L | A | -0.0800 | |
| 939 | A | A | 0.1095 | |
| 940 | T | A | 0.2540 | |
| 941 | T | A | 0.3674 | |
| 942 | Y | A | 0.6026 | |
| 943 | T | A | 0.0000 | |
| 944 | H | A | -0.7408 | |
| 945 | C | A | 0.0000 | |
| 946 | R | A | -0.6958 | |
| 947 | L | A | 0.0000 | |
| 948 | N | A | -0.3826 | |
| 949 | C | A | 0.0000 | |
| 950 | P | A | -0.2263 | |
| 951 | G | A | -0.6369 | |
| 952 | G | A | 0.0000 | |
| 953 | P | A | -0.4453 | |
| 954 | A | A | -0.4329 | |
| 955 | Q | A | -0.3539 | |
| 956 | L | A | 0.0615 | |
| 957 | Q | A | -1.0992 | |
| 958 | A | A | -0.6114 | |
| 959 | L | A | 0.0000 | |
| 960 | A | A | -0.7131 | |
| 961 | H | A | -1.4052 | |
| 962 | R | A | -2.1136 | |
| 963 | C | A | -1.0192 | |
| 964 | P | A | -0.6832 | |
| 965 | P | A | -0.0996 | |
| 966 | L | A | 0.0000 | |
| 967 | A | A | -0.2821 | |
| 968 | V | A | 0.2226 | |
| 969 | C | A | 0.0000 | |
| 970 | L | A | 0.3370 | |
| 971 | A | A | -0.1482 | |
| 972 | Q | A | -1.0960 | |
| 973 | Q | A | -0.4423 | |
| 974 | L | A | 0.4362 | |
| 975 | P | A | -0.5030 | |
| 976 | E | A | -2.0923 | |
| 977 | D | A | -1.8282 | |
| 978 | P | A | -1.7636 | |
| 979 | G | A | -1.5850 | |
| 980 | Q | A | -2.1447 | |
| 981 | G | A | -1.7811 | |
| 982 | S | A | -1.4251 | |
| 983 | S | A | -0.9854 | |
| 984 | S | A | -0.5425 | |
| 985 | V | A | 0.0000 | |
| 986 | E | A | -0.9121 | |
| 987 | F | A | 0.0000 | |
| 988 | D | A | -2.0000 | |
| 989 | M | A | 0.0000 | |
| 990 | V | A | 0.0000 | |
| 991 | K | A | -2.1175 | |
| 992 | L | A | -0.9844 | |
| 993 | V | A | 0.0000 | |
| 994 | D | A | -1.1418 | |
| 995 | S | A | -0.4429 | |
| 996 | M | A | -0.0213 | |
| 997 | G | A | -0.4069 | |
| 998 | W | A | 0.0852 | |
| 999 | E | A | -1.3748 | |
| 1000 | L | A | 0.0000 | |
| 1001 | A | A | -1.0943 | |
| 1002 | S | A | -1.1436 | |
| 1003 | V | A | 0.0000 | |
| 1004 | R | A | -1.4384 | |
| 1005 | R | A | -2.0790 | |
| 1006 | A | A | -1.0493 | |
| 1007 | L | A | 0.0000 | |
| 1008 | C | A | -0.1058 | |
| 1009 | Q | A | -0.8982 | |
| 1010 | L | A | 0.2053 | |
| 1011 | Q | A | 0.0000 | |
| 1012 | W | A | -0.3108 | |
| 1013 | D | A | 0.0000 | |
| 1014 | H | A | -2.1521 | |
| 1015 | E | A | 0.0000 | |
| 1016 | P | A | -1.6415 | |
| 1017 | R | A | -2.1293 | |
| 1018 | T | A | -1.6519 | |
| 1019 | G | A | -1.4590 | |
| 1020 | V | A | -1.6359 | |
| 1021 | R | A | -2.6332 | |
| 1022 | R | A | -2.5100 | |
| 1023 | G | A | -1.4219 | |
| 1024 | T | A | -0.5515 | |
| 1025 | G | A | 0.4832 | |
| 1026 | V | A | 1.5202 | |
| 1027 | L | A | 1.7622 | |
| 1028 | V | A | 0.6478 | |
| 1029 | E | A | -0.1900 | |
| 1030 | F | A | 0.1186 | |
| 1031 | S | A | -0.1845 | |
| 1032 | E | A | -0.0937 | |
| 1033 | L | A | 0.9078 | |
| 1034 | A | A | 0.0000 | |
| 1035 | F | A | 0.0000 | |
| 1036 | H | A | 0.0000 | |
| 1037 | L | A | 0.0000 | |
| 1038 | R | A | -1.3363 | |
| 1039 | S | A | 0.0000 | |
| 1040 | P | A | 0.0000 | |
| 1041 | G | A | -0.5244 | |
| 1042 | D | A | 0.0000 | |
| 1043 | L | A | 0.0000 | |
| 1044 | T | A | 0.0000 | |
| 1045 | A | A | -1.1902 | |
| 1046 | E | A | -2.4316 | |
| 1047 | E | A | 0.0000 | |
| 1048 | K | A | -1.8907 | |
| 1049 | D | A | -2.4452 | |
| 1050 | Q | A | -2.1575 | |
| 1051 | I | A | 0.0000 | |
| 1052 | C | A | 0.0000 | |
| 1053 | D | A | -2.1240 | |
| 1054 | F | A | -1.2415 | |
| 1055 | L | A | 0.0000 | |
| 1056 | Y | A | -0.5144 | |
| 1057 | G | A | -0.9300 | |
| 1058 | R | A | -1.3736 | |
| 1059 | V | A | 0.0000 | |
| 1060 | Q | A | -1.0294 | |
| 1061 | A | A | -1.4200 | |
| 1062 | R | A | -1.3350 | |
| 1063 | E | A | -1.1918 | |
| 1064 | R | A | -1.7023 | |
| 1065 | Q | A | -1.3145 | |
| 1066 | A | A | 0.0000 | |
| 1067 | L | A | 0.0000 | |
| 1068 | A | A | 0.0000 | |
| 1069 | R | A | 0.0000 | |
| 1070 | L | A | 0.0000 | |
| 1071 | R | A | -2.2710 | |
| 1072 | R | A | -2.3991 | |
| 1073 | T | A | 0.0000 | |
| 1074 | F | A | -1.1650 | |
| 1075 | Q | A | -1.5375 | |
| 1076 | A | A | 0.0000 | |
| 1077 | F | A | 0.0000 | |
| 1078 | H | A | -0.8312 | |
| 1079 | S | A | -0.5846 | |
| 1080 | V | A | 0.0000 | |
| 1081 | A | A | -0.1747 | |
| 1082 | F | A | 0.2785 | |
| 1083 | P | A | -0.3997 | |
| 1084 | S | A | -0.6428 | |
| 1085 | C | A | -0.5260 | |
| 1086 | G | A | -0.9425 | |
| 1087 | P | A | -0.9641 | |
| 1088 | C | A | 0.0000 | |
| 1089 | L | A | 0.0000 | |
| 1090 | E | A | -3.1846 | |
| 1091 | Q | A | -2.4906 | |
| 1092 | Q | A | -2.5324 | |
| 1093 | D | A | -2.6346 | |
| 1094 | E | A | -3.7092 | |
| 1095 | E | A | -3.7233 | |
| 1096 | R | A | -3.0580 | |
| 1097 | S | A | 0.0000 | |
| 1098 | T | A | -3.0012 | |
| 1099 | R | A | -3.5467 | |
| 1100 | L | A | 0.0000 | |
| 1101 | K | A | -2.7908 | |
| 1102 | D | A | -3.0745 | |
| 1103 | L | A | -2.0250 | |
| 1104 | L | A | 0.0000 | |
| 1105 | G | A | -2.4532 | |
| 1106 | R | A | -3.2734 | |
| 1107 | Y | A | -2.3184 | |
| 1108 | F | A | 0.0000 | |
| 1109 | E | A | -3.5036 | |
| 1110 | E | A | 0.0000 | |
| 1111 | E | A | -3.4966 | |
| 1112 | E | A | -2.9993 | |
| 1113 | G | A | -2.0168 | |
| 1114 | Q | A | -2.0002 | |
| 1115 | E | A | -2.4985 | |
| 1116 | P | A | -1.6138 | |
| 1117 | G | A | -1.4074 | |
| 1118 | G | A | -1.0991 | |
| 1119 | M | A | -0.9636 | |
| 1120 | E | A | -1.3430 | |
| 1121 | D | A | 0.0000 | |
| 1122 | A | A | -0.7987 | |
| 1123 | Q | A | -0.9222 | |
| 1124 | G | A | -1.1284 | |
| 1125 | P | A | -1.0717 | |
| 1126 | E | A | -1.4283 | |
| 1127 | P | A | -1.4176 | |
| 1128 | G | A | -1.9393 | |
| 1129 | Q | A | -2.0847 | |
| 1130 | A | A | 0.0000 | |
| 1131 | R | A | -2.8517 | |
| 1132 | L | A | -2.2864 | |
| 1133 | Q | A | -2.9115 | |
| 1134 | D | A | -3.2585 | |
| 1135 | W | A | -2.5149 | |
| 1136 | E | A | -2.9940 | |
| 1137 | D | A | -3.2121 | |
| 1138 | Q | A | -2.5946 | |
| 1139 | V | A | 0.0000 | |
| 1140 | R | A | -2.5852 | |
| 1141 | C | A | -1.5380 | |
| 1142 | D | A | 0.0000 | |
| 1143 | I | A | 0.0000 | |
| 1144 | R | A | -1.1303 | |
| 1145 | Q | A | -1.0295 | |
| 1146 | F | A | 0.0000 | |
| 1147 | L | A | -0.2423 | |
| 1148 | S | A | 0.0656 | |
| 1149 | L | A | 0.9344 | |
| 1150 | R | A | 0.0000 | |
| 1151 | P | A | -0.6347 | |
| 1152 | E | A | -1.4886 | |
| 1153 | E | A | -2.1078 | |
| 1154 | K | A | -2.4751 | |
| 1155 | F | A | 0.0000 | |
| 1156 | S | A | -0.8959 | |
| 1157 | S | A | 0.0000 | |
| 1158 | R | A | -0.4116 | |
| 1159 | A | A | 0.0000 | |
| 1160 | V | A | 0.0000 | |
| 1161 | A | A | 0.0000 | |
| 1162 | R | A | 0.0000 | |
| 1163 | I | A | 0.0000 | |
| 1164 | F | A | 0.0000 | |
| 1165 | H | A | -0.7040 | |
| 1166 | G | A | -0.2807 | |
| 1167 | I | A | 0.6396 | |
| 1168 | G | A | 0.5948 | |
| 1169 | S | A | 0.0000 | |
| 1170 | P | A | 0.0559 | |
| 1171 | C | A | 0.0000 | |
| 1172 | Y | A | 0.0000 | |
| 1173 | P | A | -0.0161 | |
| 1174 | A | A | -0.1148 | |
| 1175 | Q | A | -0.0448 | |
| 1176 | V | A | 1.2891 | |
| 1177 | Y | A | 0.9423 | |
| 1178 | G | A | -0.3918 | |
| 1179 | Q | A | -1.1703 | |
| 1180 | D | A | -2.7564 | |
| 1181 | R | A | 0.0000 | |
| 1182 | R | A | -3.0322 | |
| 1183 | F | A | 0.0000 | |
| 1184 | W | A | -1.8783 | |
| 1185 | R | A | -2.9418 | |
| 1186 | K | A | -2.5548 | |
| 1187 | Y | A | -1.0234 | |
| 1188 | L | A | -0.7541 | |
| 1189 | H | A | 0.0000 | |
| 1190 | L | A | 0.0000 | |
| 1191 | S | A | -0.4898 | |
| 1192 | F | A | 0.0000 | |
| 1193 | H | A | -0.8100 | |
| 1194 | A | A | -0.4137 | |
| 1195 | L | A | 0.0000 | |
| 1196 | V | A | 0.0000 | |
| 1197 | G | A | -0.6440 | |
| 1198 | L | A | -0.7005 | |
| 1199 | A | A | 0.0000 | |
| 1200 | T | A | -0.6832 | |
| 1201 | E | A | -1.4792 | |
| 1202 | E | A | 0.0000 | |
| 1203 | L | A | -0.4874 | |
| 1204 | L | A | 0.1979 | |
| 1205 | Q | A | -0.8724 | |
| 1206 | V | A | -0.3512 | |
| 1207 | A | A | -0.5500 | |
| 1208 | R | A | -1.8502 |
3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.
CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.7412 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_0 | -0.7412 | View | CSV | PDB |
| model_1 | -0.7477 | View | CSV | PDB |
| model_2 | -0.7534 | View | CSV | PDB |
| model_3 | -0.7832 | View | CSV | PDB |
| model_4 | -0.7851 | View | CSV | PDB |
| model_8 | -0.7871 | View | CSV | PDB |
| CABS_average | -0.8005 | View | CSV | PDB |
| model_6 | -0.802 | View | CSV | PDB |
| model_10 | -0.8087 | View | CSV | PDB |
| model_9 | -0.814 | View | CSV | PDB |
| model_7 | -0.8317 | View | CSV | PDB |
| model_11 | -0.8736 | View | CSV | PDB |
| model_5 | -0.8782 | View | CSV | PDB |
| input | -0.917 | 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