| Chain sequence(s) |
A: MKALELFAGIGGITHGLRGYVEPIAFCEYEKDASSFLSQRGLPVHGDITKFDASVYKNKIDIVTAGWPCTGFSTAGKGTGFEHEASGLWTEVVRVV
B: KESEPKYVFLENSHVLAQTKNLKVIIHDLDNLGYDTRWWTCRSNDVNVGAHHNRYRWFMLAEKKGSVTKFVKIQVKKFNWSGDFKEKQISENSHENKQLIKFMGNSVVPDQVRYAFESMSDMILEGSLVNEKDEIVKVGYSKDSIMYKIPIEHKIIPKLNIVLTPRDPPEGHKAREEAIIKSPILMTYWNTPAFCYHKSARGAKILTKRQKNNLHTQIKFCPGGSDDGYLSGRFCAWLMGYDDEYLGDLMHY input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:12:11)
[INFO] Main: Simulation completed successfully. (00:12:14)
|
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 | |
| 1 | M | A | -1.2900 | |
| 2 | K | A | -2.0512 | |
| 3 | A | A | 0.0000 | |
| 4 | L | A | 0.0000 | |
| 5 | E | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | F | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | G | A | -0.5313 | |
| 10 | I | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | I | A | 0.0000 | |
| 14 | T | A | 0.0000 | |
| 15 | H | A | -0.5243 | |
| 16 | G | A | 0.0000 | |
| 17 | L | A | 0.0000 | |
| 18 | R | A | -1.1604 | |
| 19 | G | A | -1.1325 | |
| 20 | Y | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | E | A | -2.3261 | |
| 23 | P | A | -1.1741 | |
| 24 | I | A | -0.6347 | |
| 25 | A | A | 0.0000 | |
| 26 | F | A | 0.0000 | |
| 27 | C | A | 0.0000 | |
| 28 | E | A | 0.0000 | |
| 29 | Y | A | -0.1109 | |
| 30 | E | A | -1.0523 | |
| 31 | K | A | -1.9567 | |
| 32 | D | A | -1.4310 | |
| 33 | A | A | 0.0000 | |
| 34 | S | A | -0.9722 | |
| 35 | S | A | -1.1999 | |
| 36 | F | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | S | A | -1.0467 | |
| 39 | Q | A | -1.8998 | |
| 40 | R | A | -1.4120 | |
| 41 | G | A | -0.9987 | |
| 42 | L | A | -0.2614 | |
| 43 | P | A | -0.1784 | |
| 44 | V | A | -0.0498 | |
| 45 | H | A | -0.7156 | |
| 46 | G | A | -1.0993 | |
| 47 | D | A | -1.5533 | |
| 48 | I | A | 0.0000 | |
| 49 | T | A | -1.6161 | |
| 50 | K | A | -2.6609 | |
| 51 | F | A | 0.0000 | |
| 52 | D | A | -2.0656 | |
| 53 | A | A | -1.1026 | |
| 54 | S | A | -0.8393 | |
| 55 | V | A | 0.2066 | |
| 56 | Y | A | -1.0872 | |
| 57 | K | A | -2.4971 | |
| 58 | N | A | -3.2889 | |
| 59 | K | A | -2.8050 | |
| 60 | I | A | -2.3170 | |
| 61 | D | A | -2.1009 | |
| 62 | I | A | 0.0000 | |
| 63 | V | A | 0.0000 | |
| 64 | T | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | G | A | -0.2455 | |
| 67 | W | A | 0.0000 | |
| 68 | P | A | -0.4107 | |
| 69 | C | A | -0.1748 | |
| 70 | T | A | -0.6236 | |
| 71 | G | A | 0.0000 | |
| 72 | F | A | 0.0000 | |
| 73 | S | A | -0.4586 | |
| 74 | T | A | -0.5568 | |
| 75 | A | A | -0.6424 | |
| 76 | G | A | -1.1031 | |
| 77 | K | A | -2.2246 | |
| 78 | G | A | -1.5727 | |
| 79 | T | A | -1.7220 | |
| 80 | G | A | -1.5000 | |
| 81 | F | A | -1.1883 | |
| 82 | E | A | -2.5036 | |
| 83 | H | A | -2.2765 | |
| 84 | E | A | -2.3367 | |
| 85 | A | A | -1.1445 | |
| 86 | S | A | 0.0000 | |
| 87 | G | A | -1.0782 | |
| 88 | L | A | -0.5220 | |
| 89 | W | A | 0.0000 | |
| 90 | T | A | -0.3683 | |
| 91 | E | A | -0.7531 | |
| 92 | V | A | 0.0000 | |
| 93 | V | A | -0.4614 | |
| 94 | R | A | -1.2724 | |
| 95 | V | A | 0.0000 | |
| 96 | V | A | -0.4893 | |
| 634 | K | B | -2.6704 | |
| 635 | E | B | -3.4288 | |
| 636 | S | B | -3.0387 | |
| 637 | E | B | -2.5681 | |
| 638 | P | B | 0.0000 | |
| 639 | K | B | -2.0705 | |
| 640 | Y | B | 0.0000 | |
| 641 | V | B | 0.0000 | |
| 642 | F | B | 0.0000 | |
| 643 | L | B | 0.0000 | |
| 644 | E | B | 0.0000 | |
| 645 | N | B | 0.0000 | |
| 646 | S | B | 0.0000 | |
| 647 | H | B | -0.3263 | |
| 648 | V | B | -0.2247 | |
| 649 | L | B | 0.0000 | |
| 650 | A | B | -0.9241 | |
| 651 | Q | B | -1.6264 | |
| 652 | T | B | -1.6012 | |
| 653 | K | B | -2.2147 | |
| 654 | N | B | 0.0000 | |
| 655 | L | B | 0.0000 | |
| 656 | K | B | -1.9273 | |
| 657 | V | B | -1.0043 | |
| 658 | I | B | 0.0000 | |
| 659 | I | B | -1.2035 | |
| 660 | H | B | -1.9393 | |
| 661 | D | B | -1.4380 | |
| 662 | L | B | 0.0000 | |
| 663 | D | B | -2.0447 | |
| 664 | N | B | -1.8329 | |
| 665 | L | B | -1.0618 | |
| 666 | G | B | -1.6837 | |
| 667 | Y | B | 0.0000 | |
| 668 | D | B | -1.9472 | |
| 669 | T | B | 0.0000 | |
| 670 | R | B | 0.0000 | |
| 671 | W | B | 0.0000 | |
| 672 | W | B | 0.0000 | |
| 673 | T | B | -0.0966 | |
| 674 | C | B | 0.0000 | |
| 675 | R | B | -0.8056 | |
| 676 | S | B | 0.0000 | |
| 677 | N | B | -0.0056 | |
| 678 | D | B | 0.0324 | |
| 679 | V | B | 0.6547 | |
| 680 | N | B | -0.5199 | |
| 681 | V | B | 0.0000 | |
| 682 | G | B | -0.3064 | |
| 683 | A | B | 0.0000 | |
| 684 | H | B | -0.0759 | |
| 685 | H | B | 0.0000 | |
| 686 | N | B | -0.8397 | |
| 687 | R | B | 0.0000 | |
| 688 | Y | B | -0.5383 | |
| 689 | R | B | -0.3505 | |
| 690 | W | B | 0.0000 | |
| 691 | F | B | 0.0000 | |
| 692 | M | B | 0.0000 | |
| 693 | L | B | 0.0000 | |
| 694 | A | B | 0.0000 | |
| 695 | E | B | 0.0000 | |
| 696 | K | B | -1.7679 | |
| 697 | K | B | -2.2134 | |
| 698 | G | B | -1.1877 | |
| 699 | S | B | -0.5961 | |
| 700 | V | B | 0.9765 | |
| 701 | T | B | 0.2190 | |
| 702 | K | B | -0.8233 | |
| 703 | F | B | 0.0141 | |
| 704 | V | B | 0.5292 | |
| 705 | K | B | -1.1373 | |
| 706 | I | B | -0.4878 | |
| 707 | Q | B | -1.6080 | |
| 708 | V | B | -1.6301 | |
| 709 | K | B | -2.6454 | |
| 710 | K | B | -2.8044 | |
| 711 | F | B | -1.7568 | |
| 712 | N | B | -2.2573 | |
| 713 | W | B | 0.0000 | |
| 714 | S | B | -1.0020 | |
| 715 | G | B | -1.6482 | |
| 716 | D | B | -2.9187 | |
| 717 | F | B | -2.4777 | |
| 718 | K | B | -3.4904 | |
| 719 | E | B | -3.2825 | |
| 720 | K | B | -1.9165 | |
| 721 | Q | B | -1.2010 | |
| 722 | I | B | 0.2111 | |
| 723 | S | B | 0.0000 | |
| 724 | E | B | -2.4476 | |
| 725 | N | B | -2.6026 | |
| 726 | S | B | -2.3220 | |
| 727 | H | B | -2.1003 | |
| 728 | E | B | -1.9226 | |
| 729 | N | B | -1.9214 | |
| 730 | K | B | -2.3380 | |
| 731 | Q | B | -1.4683 | |
| 732 | L | B | 0.0000 | |
| 733 | I | B | 0.0000 | |
| 734 | K | B | -1.8665 | |
| 735 | F | B | 0.0000 | |
| 736 | M | B | 0.0000 | |
| 737 | G | B | -1.1405 | |
| 738 | N | B | -1.6376 | |
| 739 | S | B | 0.0000 | |
| 740 | V | B | 0.0000 | |
| 741 | V | B | 0.0000 | |
| 742 | P | B | 0.0000 | |
| 743 | D | B | 0.0000 | |
| 744 | Q | B | 0.0000 | |
| 745 | V | B | 0.0000 | |
| 746 | R | B | 0.0000 | |
| 747 | Y | B | -0.0220 | |
| 748 | A | B | 0.0000 | |
| 749 | F | B | 0.0000 | |
| 750 | E | B | 0.0000 | |
| 751 | S | B | -0.2701 | |
| 752 | M | B | 0.0000 | |
| 753 | S | B | 0.0000 | |
| 754 | D | B | -1.5788 | |
| 755 | M | B | -0.4286 | |
| 756 | I | B | -0.0972 | |
| 757 | L | B | -0.4762 | |
| 758 | E | B | -1.6054 | |
| 759 | G | B | -0.6418 | |
| 760 | S | B | 0.0734 | |
| 761 | L | B | 1.7165 | |
| 762 | V | B | 0.9948 | |
| 763 | N | B | -1.2785 | |
| 764 | E | B | -3.0079 | |
| 765 | K | B | -3.7827 | |
| 766 | D | B | -3.4414 | |
| 767 | E | B | -2.6629 | |
| 768 | I | B | -0.1350 | |
| 769 | V | B | 0.9679 | |
| 770 | K | B | -0.7859 | |
| 771 | V | B | 0.5117 | |
| 772 | G | B | -1.3071 | |
| 773 | Y | B | -0.8937 | |
| 774 | S | B | -0.8999 | |
| 775 | K | B | -1.8809 | |
| 776 | D | B | -1.0181 | |
| 777 | S | B | -0.4247 | |
| 778 | I | B | 0.6801 | |
| 779 | M | B | 0.7268 | |
| 780 | Y | B | 0.4173 | |
| 781 | K | B | -0.7103 | |
| 782 | I | B | 0.0296 | |
| 783 | P | B | -0.2576 | |
| 784 | I | B | 0.4429 | |
| 785 | E | B | -1.3481 | |
| 786 | H | B | -0.6996 | |
| 787 | K | B | -1.0199 | |
| 788 | I | B | 0.9278 | |
| 789 | I | B | 0.3795 | |
| 790 | P | B | -0.4702 | |
| 791 | K | B | -1.0006 | |
| 792 | L | B | -0.1375 | |
| 793 | N | B | -1.1997 | |
| 794 | I | B | -0.5033 | |
| 795 | V | B | -0.0061 | |
| 796 | L | B | 0.1668 | |
| 797 | T | B | -0.5127 | |
| 798 | P | B | -1.5542 | |
| 799 | R | B | -2.6766 | |
| 800 | D | B | -3.1465 | |
| 801 | P | B | -2.4489 | |
| 802 | P | B | -2.6293 | |
| 803 | E | B | -2.9980 | |
| 804 | G | B | -2.6407 | |
| 805 | H | B | -2.9832 | |
| 806 | K | B | -3.2204 | |
| 807 | A | B | -2.4029 | |
| 808 | R | B | -2.8729 | |
| 809 | E | B | -2.6180 | |
| 810 | E | B | -2.0362 | |
| 811 | A | B | -1.2955 | |
| 812 | I | B | 0.0000 | |
| 813 | I | B | -0.3075 | |
| 814 | K | B | -1.2807 | |
| 815 | S | B | 0.0000 | |
| 816 | P | B | 0.0065 | |
| 817 | I | B | 0.0000 | |
| 818 | L | B | 0.0000 | |
| 819 | M | B | 0.4147 | |
| 820 | T | B | 0.2569 | |
| 821 | Y | B | 0.7370 | |
| 822 | W | B | 0.2829 | |
| 823 | N | B | -0.8941 | |
| 824 | T | B | -0.3242 | |
| 825 | P | B | -0.3854 | |
| 826 | A | B | 0.0000 | |
| 827 | F | B | 0.0000 | |
| 828 | C | B | -1.0546 | |
| 829 | Y | B | -1.0499 | |
| 830 | H | B | -1.6804 | |
| 831 | K | B | -2.4815 | |
| 832 | S | B | -1.8969 | |
| 833 | A | B | -1.7903 | |
| 834 | R | B | -2.3321 | |
| 835 | G | B | -1.0399 | |
| 836 | A | B | 0.0000 | |
| 837 | K | B | -1.9727 | |
| 838 | I | B | 0.4775 | |
| 839 | L | B | 0.0000 | |
| 840 | T | B | -1.6195 | |
| 841 | K | B | -3.1248 | |
| 842 | R | B | -3.3977 | |
| 843 | Q | B | -2.0923 | |
| 844 | K | B | -2.6158 | |
| 845 | N | B | -2.4987 | |
| 846 | N | B | -1.8700 | |
| 847 | L | B | -1.0280 | |
| 848 | H | B | -1.5549 | |
| 849 | T | B | -0.9845 | |
| 850 | Q | B | 0.0000 | |
| 851 | I | B | 0.0000 | |
| 852 | K | B | -1.1302 | |
| 853 | F | B | 0.6384 | |
| 854 | C | B | 0.0000 | |
| 855 | P | B | -0.8437 | |
| 856 | G | B | 0.0000 | |
| 857 | G | B | 0.0000 | |
| 858 | S | B | -1.6810 | |
| 859 | D | B | -2.5557 | |
| 860 | D | B | -3.1957 | |
| 861 | G | B | 0.0000 | |
| 862 | Y | B | -1.4266 | |
| 863 | L | B | 0.0000 | |
| 864 | S | B | 0.0000 | |
| 865 | G | B | 0.0000 | |
| 866 | R | B | -1.4164 | |
| 867 | F | B | 0.0000 | |
| 868 | C | B | 0.0000 | |
| 869 | A | B | 0.0000 | |
| 870 | W | B | -0.6866 | |
| 871 | L | B | 0.0000 | |
| 872 | M | B | 0.0000 | |
| 873 | G | B | 0.0000 | |
| 874 | Y | B | 0.0000 | |
| 875 | D | B | -2.5404 | |
| 876 | D | B | -3.4503 | |
| 877 | E | B | -3.2451 | |
| 878 | Y | B | -1.9116 | |
| 879 | L | B | 0.0000 | |
| 880 | G | B | -2.4945 | |
| 881 | D | B | -2.4269 | |
| 882 | L | B | -1.0265 | |
| 883 | M | B | -1.1675 | |
| 884 | H | B | -1.0231 | |
| 885 | Y | B | 0.2261 |
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