| Chain sequence(s) |
A: KHERFQSLSFPHTKEMMKIFHKKFGLHNFRTNQLEAINAALLGEDCFILMPTGGGKSLCYQLPACVSPGVTVVISPLRSLIVDQVQKLTSLDIPATYLTGDKTDSEATNIYLQLSKKDPIIKLLYVTPEKICASNRLISTLENLYERKLLARFVIDEAHRQDYKRMNMLRRQKFPSVPVMALTATANPRVQKDILTQLKILRPQVFSMSFNRHNLKYYVLPKKPKKVAFDCLEWIRKHHPYDSGIIYCLSRRECDTMADTLQRDGLAALAYHAGLSDSARDEVQQKWINQDGCQVICATIAFGMGIDKPDVRFVIHASLPKSVEGYYQESGRAGRDGEISHCLLFYTYHDVTRLKRLIMMEKDHTRETHFNNLYSMVHHYCENITECRRIQLLAYFGENGFNPDFCKKHPDVSCDNCCKYKTRDVTDDVKSIVRFVQEHSPSGRFTMNMLVDIFLGSKSAKIQSGIFGKGSAYSRHNAERLFKKLILDKILDEDLYINANDQAIAYVMLGNKAQTVLNGNLKVDFMETENKVSQR
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] (00:00:00)
[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 A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[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 (00:09:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b62630785340d59/tmp/folded.pdb (00:09:38)
[INFO] Main: Simulation completed successfully. (00:12:09)
|
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 |
|---|---|---|---|---|
| 640 | K | A | -2.7731 | |
| 641 | H | A | -2.7037 | |
| 642 | E | A | -3.7677 | |
| 643 | R | A | -3.3077 | |
| 644 | F | A | 0.0000 | |
| 645 | Q | A | -2.4139 | |
| 646 | S | A | -0.8678 | |
| 647 | L | A | 0.5504 | |
| 648 | S | A | 0.0711 | |
| 649 | F | A | 0.2166 | |
| 650 | P | A | -0.5276 | |
| 651 | H | A | -0.5150 | |
| 652 | T | A | 0.0000 | |
| 653 | K | A | -2.2466 | |
| 654 | E | A | -2.0144 | |
| 655 | M | A | 0.0000 | |
| 656 | M | A | -1.5621 | |
| 657 | K | A | -2.6963 | |
| 658 | I | A | -1.6038 | |
| 659 | F | A | 0.0000 | |
| 660 | H | A | -2.1990 | |
| 661 | K | A | -2.5856 | |
| 662 | K | A | -1.8079 | |
| 663 | F | A | -1.0919 | |
| 664 | G | A | -1.3032 | |
| 665 | L | A | -0.8768 | |
| 666 | H | A | -1.8357 | |
| 667 | N | A | -1.9687 | |
| 668 | F | A | -1.3683 | |
| 669 | R | A | -2.1824 | |
| 670 | T | A | -1.0584 | |
| 671 | N | A | 0.0000 | |
| 672 | Q | A | 0.0000 | |
| 673 | L | A | -0.4642 | |
| 674 | E | A | -1.2841 | |
| 675 | A | A | 0.0000 | |
| 676 | I | A | 0.0000 | |
| 677 | N | A | 0.0000 | |
| 678 | A | A | 0.0000 | |
| 679 | A | A | 0.0000 | |
| 680 | L | A | 0.3840 | |
| 681 | L | A | 0.4865 | |
| 682 | G | A | -0.3821 | |
| 683 | E | A | -0.8029 | |
| 684 | D | A | -0.6146 | |
| 685 | C | A | 0.0000 | |
| 686 | F | A | 0.0000 | |
| 687 | I | A | 0.0000 | |
| 688 | L | A | 0.0000 | |
| 689 | M | A | 0.0000 | |
| 690 | P | A | 0.0000 | |
| 691 | T | A | -0.8998 | |
| 692 | G | A | -1.4049 | |
| 693 | G | A | -1.0907 | |
| 694 | G | A | -0.9806 | |
| 695 | K | A | -0.6748 | |
| 696 | S | A | -0.3328 | |
| 697 | L | A | 0.0000 | |
| 698 | C | A | 0.0000 | |
| 699 | Y | A | 0.0000 | |
| 700 | Q | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | P | A | 0.0000 | |
| 703 | A | A | 0.0000 | |
| 704 | C | A | -0.0093 | |
| 705 | V | A | -0.0268 | |
| 706 | S | A | 0.0382 | |
| 707 | P | A | -0.4455 | |
| 708 | G | A | 0.0000 | |
| 709 | V | A | 0.0000 | |
| 710 | T | A | 0.0000 | |
| 711 | V | A | 0.0000 | |
| 712 | V | A | 0.0000 | |
| 713 | I | A | 0.0000 | |
| 714 | S | A | 0.0000 | |
| 715 | P | A | -0.9144 | |
| 716 | L | A | -0.3243 | |
| 717 | R | A | -1.9516 | |
| 718 | S | A | -0.8903 | |
| 719 | L | A | -0.7451 | |
| 720 | I | A | 0.0000 | |
| 721 | V | A | -0.4984 | |
| 722 | D | A | -2.2046 | |
| 723 | Q | A | -1.2698 | |
| 724 | V | A | -0.8113 | |
| 725 | Q | A | -1.9776 | |
| 726 | K | A | -1.6801 | |
| 727 | L | A | 0.0000 | |
| 728 | T | A | -1.4725 | |
| 729 | S | A | -1.1345 | |
| 730 | L | A | -1.1961 | |
| 731 | D | A | -1.9887 | |
| 732 | I | A | 0.0000 | |
| 733 | P | A | -0.2609 | |
| 734 | A | A | -0.3534 | |
| 735 | T | A | 0.0603 | |
| 736 | Y | A | -0.1257 | |
| 737 | L | A | 0.0000 | |
| 738 | T | A | 0.0000 | |
| 739 | G | A | -2.1570 | |
| 740 | D | A | -2.6300 | |
| 741 | K | A | -1.8989 | |
| 742 | T | A | -2.0091 | |
| 743 | D | A | -2.6740 | |
| 744 | S | A | -1.8268 | |
| 745 | E | A | -1.8004 | |
| 746 | A | A | -1.8024 | |
| 747 | T | A | -1.3404 | |
| 748 | N | A | -1.3564 | |
| 749 | I | A | 0.0000 | |
| 750 | Y | A | 0.0000 | |
| 751 | L | A | 0.5406 | |
| 752 | Q | A | -0.4506 | |
| 753 | L | A | 0.0000 | |
| 754 | S | A | -1.1330 | |
| 755 | K | A | -2.2002 | |
| 756 | K | A | -2.9376 | |
| 757 | D | A | -2.2965 | |
| 758 | P | A | 0.0000 | |
| 759 | I | A | 0.3181 | |
| 760 | I | A | 0.0000 | |
| 761 | K | A | 0.0924 | |
| 762 | L | A | 0.0000 | |
| 763 | L | A | 0.0000 | |
| 764 | Y | A | 0.0000 | |
| 765 | V | A | 0.0000 | |
| 766 | T | A | 0.0000 | |
| 767 | P | A | -1.2332 | |
| 768 | E | A | -2.1310 | |
| 769 | K | A | -1.3625 | |
| 770 | I | A | 0.0000 | |
| 771 | C | A | -0.3103 | |
| 772 | A | A | -0.7152 | |
| 773 | S | A | -1.4384 | |
| 774 | N | A | -2.0262 | |
| 775 | R | A | -2.5987 | |
| 776 | L | A | 0.0000 | |
| 777 | I | A | -1.2554 | |
| 778 | S | A | -1.5323 | |
| 779 | T | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | E | A | -2.2412 | |
| 782 | N | A | -1.7380 | |
| 783 | L | A | 0.0000 | |
| 784 | Y | A | -1.8743 | |
| 785 | E | A | -2.7350 | |
| 786 | R | A | -2.4045 | |
| 787 | K | A | -2.4339 | |
| 788 | L | A | -1.5532 | |
| 789 | L | A | 0.0000 | |
| 790 | A | A | -0.3324 | |
| 791 | R | A | 0.0000 | |
| 792 | F | A | 0.0000 | |
| 793 | V | A | 0.0000 | |
| 794 | I | A | 0.0000 | |
| 795 | D | A | -0.6529 | |
| 796 | E | A | -0.8566 | |
| 797 | A | A | 0.0000 | |
| 798 | H | A | -1.2510 | |
| 808 | R | A | -3.0101 | |
| 809 | Q | A | -3.0748 | |
| 810 | D | A | -2.6923 | |
| 811 | Y | A | -2.2549 | |
| 812 | K | A | -2.8593 | |
| 813 | R | A | -2.1372 | |
| 814 | M | A | 0.0000 | |
| 815 | N | A | -2.0335 | |
| 816 | M | A | -1.1798 | |
| 817 | L | A | 0.0000 | |
| 818 | R | A | -1.4349 | |
| 819 | Q | A | -1.9936 | |
| 820 | K | A | -1.9253 | |
| 821 | F | A | 0.0000 | |
| 822 | P | A | -1.1098 | |
| 823 | S | A | -0.8588 | |
| 824 | V | A | 0.0000 | |
| 825 | P | A | -0.2522 | |
| 826 | V | A | 0.0000 | |
| 827 | M | A | 0.0000 | |
| 828 | A | A | 0.0000 | |
| 829 | L | A | 0.0000 | |
| 830 | T | A | 0.0000 | |
| 831 | A | A | -0.4265 | |
| 832 | T | A | -0.7538 | |
| 833 | A | A | -0.6399 | |
| 834 | N | A | -1.1524 | |
| 835 | P | A | -1.8024 | |
| 836 | R | A | -2.8180 | |
| 837 | V | A | -1.7785 | |
| 838 | Q | A | -2.0372 | |
| 839 | K | A | -3.0957 | |
| 840 | D | A | -3.2982 | |
| 841 | I | A | 0.0000 | |
| 842 | L | A | -1.2451 | |
| 843 | T | A | -1.8021 | |
| 844 | Q | A | -2.2613 | |
| 845 | L | A | 0.0000 | |
| 846 | K | A | -2.0107 | |
| 847 | I | A | 0.0000 | |
| 848 | L | A | 0.0773 | |
| 849 | R | A | -1.4772 | |
| 850 | P | A | -0.8208 | |
| 851 | Q | A | -0.4488 | |
| 852 | V | A | 0.2053 | |
| 853 | F | A | 0.0000 | |
| 854 | S | A | 0.0357 | |
| 855 | M | A | 0.0620 | |
| 856 | S | A | -0.2202 | |
| 857 | F | A | 0.0000 | |
| 858 | N | A | 0.0000 | |
| 859 | R | A | 0.0000 | |
| 860 | H | A | -1.3549 | |
| 861 | N | A | -1.6185 | |
| 862 | L | A | 0.0000 | |
| 863 | K | A | -0.5902 | |
| 864 | Y | A | 0.0000 | |
| 865 | Y | A | 0.3224 | |
| 866 | V | A | 0.4486 | |
| 867 | L | A | 0.3098 | |
| 868 | P | A | -0.3817 | |
| 869 | K | A | -1.5600 | |
| 870 | K | A | -2.6727 | |
| 871 | P | A | -2.4240 | |
| 872 | K | A | -2.7044 | |
| 873 | K | A | -2.2261 | |
| 874 | V | A | -1.5555 | |
| 875 | A | A | 0.0000 | |
| 876 | F | A | -0.3540 | |
| 877 | D | A | -1.6219 | |
| 878 | C | A | 0.0000 | |
| 879 | L | A | -1.3906 | |
| 880 | E | A | -2.6312 | |
| 881 | W | A | -1.8194 | |
| 882 | I | A | 0.0000 | |
| 883 | R | A | -2.4591 | |
| 884 | K | A | -2.8558 | |
| 885 | H | A | -1.7266 | |
| 886 | H | A | 0.0000 | |
| 887 | P | A | -0.6747 | |
| 888 | Y | A | 0.7403 | |
| 889 | D | A | -0.2143 | |
| 890 | S | A | 0.0000 | |
| 891 | G | A | 0.0000 | |
| 892 | I | A | 0.0000 | |
| 893 | I | A | 0.0000 | |
| 894 | Y | A | 0.0000 | |
| 895 | C | A | 0.0000 | |
| 896 | L | A | -0.3709 | |
| 897 | S | A | -1.4816 | |
| 898 | R | A | -3.0564 | |
| 899 | R | A | -3.2129 | |
| 900 | E | A | -2.3524 | |
| 901 | C | A | 0.0000 | |
| 902 | D | A | -2.2149 | |
| 903 | T | A | -1.9825 | |
| 904 | M | A | 0.0000 | |
| 905 | A | A | 0.0000 | |
| 906 | D | A | -2.9120 | |
| 907 | T | A | 0.0000 | |
| 908 | L | A | 0.0000 | |
| 909 | Q | A | -2.9323 | |
| 910 | R | A | -3.4539 | |
| 911 | D | A | -2.8629 | |
| 912 | G | A | -1.9047 | |
| 913 | L | A | 0.0000 | |
| 914 | A | A | -1.3835 | |
| 915 | A | A | 0.0000 | |
| 916 | L | A | -0.4504 | |
| 917 | A | A | -0.9231 | |
| 918 | Y | A | 0.0000 | |
| 919 | H | A | 0.0000 | |
| 920 | A | A | -0.4983 | |
| 921 | G | A | -1.1798 | |
| 922 | L | A | -0.9561 | |
| 923 | S | A | -1.6155 | |
| 924 | D | A | -2.8352 | |
| 925 | S | A | -2.4179 | |
| 926 | A | A | -2.1186 | |
| 927 | R | A | -2.7501 | |
| 928 | D | A | -3.8714 | |
| 929 | E | A | -3.7234 | |
| 930 | V | A | 0.0000 | |
| 931 | Q | A | -2.3261 | |
| 932 | Q | A | -3.3027 | |
| 933 | K | A | -3.2273 | |
| 934 | W | A | 0.0000 | |
| 935 | I | A | -1.5473 | |
| 936 | N | A | -2.7003 | |
| 937 | Q | A | -2.8039 | |
| 938 | D | A | -3.2891 | |
| 939 | G | A | -2.0776 | |
| 940 | C | A | 0.0000 | |
| 941 | Q | A | -0.8431 | |
| 942 | V | A | 0.0000 | |
| 943 | I | A | 0.0000 | |
| 944 | C | A | 0.0000 | |
| 945 | A | A | 0.0000 | |
| 946 | T | A | 0.3379 | |
| 947 | I | A | 2.0955 | |
| 948 | A | A | 0.8910 | |
| 949 | F | A | 0.0000 | |
| 950 | G | A | 0.0000 | |
| 951 | M | A | 1.0643 | |
| 952 | G | A | 0.0260 | |
| 953 | I | A | 0.0000 | |
| 954 | D | A | -1.3877 | |
| 955 | K | A | 0.0000 | |
| 956 | P | A | -1.8304 | |
| 957 | D | A | -1.7828 | |
| 958 | V | A | 0.0000 | |
| 959 | R | A | -0.8382 | |
| 960 | F | A | 0.0000 | |
| 961 | V | A | 0.0000 | |
| 962 | I | A | 0.0000 | |
| 963 | H | A | 0.0000 | |
| 964 | A | A | 0.0000 | |
| 965 | S | A | 0.0000 | |
| 966 | L | A | 0.0000 | |
| 967 | P | A | 0.0000 | |
| 968 | K | A | -0.9116 | |
| 969 | S | A | -1.2313 | |
| 970 | V | A | 0.0000 | |
| 971 | E | A | -1.5997 | |
| 972 | G | A | -1.0063 | |
| 973 | Y | A | 0.0000 | |
| 974 | Y | A | -0.8523 | |
| 975 | Q | A | -1.3659 | |
| 976 | E | A | 0.0000 | |
| 977 | S | A | 0.0000 | |
| 978 | G | A | -0.5419 | |
| 979 | R | A | 0.0000 | |
| 980 | A | A | 0.0000 | |
| 981 | G | A | 0.0000 | |
| 982 | R | A | -2.1568 | |
| 983 | D | A | -2.9022 | |
| 984 | G | A | -2.5023 | |
| 985 | E | A | -2.5771 | |
| 986 | I | A | -1.2859 | |
| 987 | S | A | 0.0000 | |
| 988 | H | A | -0.1641 | |
| 989 | C | A | 0.0000 | |
| 990 | L | A | 0.0000 | |
| 991 | L | A | 0.0000 | |
| 992 | F | A | 0.0000 | |
| 993 | Y | A | -0.2375 | |
| 994 | T | A | -0.6215 | |
| 995 | Y | A | -0.4758 | |
| 996 | H | A | -0.9989 | |
| 997 | D | A | 0.0000 | |
| 998 | V | A | 0.0000 | |
| 999 | T | A | 0.0000 | |
| 1000 | R | A | -0.7271 | |
| 1001 | L | A | 0.0000 | |
| 1002 | K | A | 0.0000 | |
| 1003 | R | A | 0.0794 | |
| 1004 | L | A | 0.2654 | |
| 1005 | I | A | 0.0000 | |
| 1006 | M | A | -0.0872 | |
| 1007 | M | A | -0.0784 | |
| 1008 | E | A | -2.3203 | |
| 1009 | K | A | -3.2638 | |
| 1010 | D | A | -3.4943 | |
| 1014 | H | A | -2.5356 | |
| 1015 | T | A | -2.5953 | |
| 1016 | R | A | -2.9982 | |
| 1017 | E | A | -3.0779 | |
| 1018 | T | A | -2.1128 | |
| 1019 | H | A | -1.7467 | |
| 1020 | F | A | -1.4261 | |
| 1021 | N | A | -2.0273 | |
| 1022 | N | A | -1.6471 | |
| 1023 | L | A | 0.0000 | |
| 1024 | Y | A | -0.8491 | |
| 1025 | S | A | -0.8976 | |
| 1026 | M | A | 0.0000 | |
| 1027 | V | A | 0.0000 | |
| 1028 | H | A | -1.2478 | |
| 1029 | Y | A | 0.0000 | |
| 1030 | C | A | 0.0000 | |
| 1031 | E | A | -0.8124 | |
| 1032 | N | A | -0.9117 | |
| 1033 | I | A | -0.9773 | |
| 1034 | T | A | -0.5758 | |
| 1035 | E | A | -1.0306 | |
| 1036 | C | A | 0.0000 | |
| 1037 | R | A | 0.0000 | |
| 1038 | R | A | 0.0000 | |
| 1039 | I | A | 0.0000 | |
| 1040 | Q | A | -0.4935 | |
| 1041 | L | A | 0.0000 | |
| 1042 | L | A | 0.0000 | |
| 1043 | A | A | -0.3685 | |
| 1044 | Y | A | 0.1414 | |
| 1045 | F | A | 0.0000 | |
| 1046 | G | A | -1.0956 | |
| 1047 | E | A | -1.1629 | |
| 1048 | N | A | -1.7042 | |
| 1049 | G | A | -1.2445 | |
| 1050 | F | A | -0.9746 | |
| 1051 | N | A | -1.6472 | |
| 1052 | P | A | -1.7731 | |
| 1053 | D | A | -2.9153 | |
| 1054 | F | A | -2.2516 | |
| 1055 | C | A | 0.0000 | |
| 1056 | K | A | -3.4865 | |
| 1057 | K | A | -3.5677 | |
| 1058 | H | A | -2.9833 | |
| 1059 | P | A | -2.4662 | |
| 1060 | D | A | -2.4975 | |
| 1061 | V | A | 0.0000 | |
| 1062 | S | A | 0.0000 | |
| 1063 | C | A | 0.0000 | |
| 1064 | D | A | -0.3408 | |
| 1065 | N | A | 0.0000 | |
| 1066 | C | A | -0.9580 | |
| 1067 | C | A | -0.4456 | |
| 1068 | K | A | -1.5087 | |
| 1072 | Y | A | 0.1911 | |
| 1073 | K | A | -1.2177 | |
| 1074 | T | A | -1.6483 | |
| 1075 | R | A | -2.4468 | |
| 1076 | D | A | -3.4885 | |
| 1077 | V | A | 0.0000 | |
| 1078 | T | A | -2.6013 | |
| 1079 | D | A | -2.4851 | |
| 1080 | D | A | -1.6779 | |
| 1081 | V | A | 0.0000 | |
| 1082 | K | A | -1.5399 | |
| 1083 | S | A | -1.5552 | |
| 1084 | I | A | 0.0000 | |
| 1085 | V | A | 0.0000 | |
| 1086 | R | A | -2.5947 | |
| 1087 | F | A | 0.0000 | |
| 1088 | V | A | 0.0000 | |
| 1089 | Q | A | -2.6317 | |
| 1090 | E | A | -3.1563 | |
| 1091 | H | A | -2.2562 | |
| 1092 | S | A | -1.7001 | |
| 1105 | P | A | -0.2852 | |
| 1106 | S | A | -0.6965 | |
| 1107 | G | A | -1.6344 | |
| 1108 | R | A | -2.1785 | |
| 1109 | F | A | 0.0000 | |
| 1110 | T | A | -0.5718 | |
| 1111 | M | A | -0.4807 | |
| 1112 | N | A | -1.2623 | |
| 1113 | M | A | -0.9954 | |
| 1114 | L | A | 0.0000 | |
| 1115 | V | A | 0.0000 | |
| 1116 | D | A | -1.2925 | |
| 1117 | I | A | 0.0000 | |
| 1118 | F | A | 0.0000 | |
| 1119 | L | A | -0.7671 | |
| 1120 | G | A | -0.9092 | |
| 1121 | S | A | -1.3443 | |
| 1122 | K | A | -2.1540 | |
| 1123 | S | A | -1.4387 | |
| 1124 | A | A | -1.6503 | |
| 1125 | K | A | -1.9363 | |
| 1126 | I | A | -1.1243 | |
| 1127 | Q | A | -1.6769 | |
| 1128 | S | A | -1.0680 | |
| 1129 | G | A | -1.1991 | |
| 1130 | I | A | 0.0000 | |
| 1131 | F | A | -0.7565 | |
| 1132 | G | A | -0.9034 | |
| 1133 | K | A | -1.4573 | |
| 1134 | G | A | 0.0000 | |
| 1135 | S | A | -0.7049 | |
| 1136 | A | A | -0.4216 | |
| 1137 | Y | A | 0.0000 | |
| 1138 | S | A | -1.2254 | |
| 1139 | R | A | -1.6978 | |
| 1140 | H | A | -1.7720 | |
| 1141 | N | A | 0.0000 | |
| 1142 | A | A | 0.0000 | |
| 1143 | E | A | -1.4160 | |
| 1144 | R | A | -0.9784 | |
| 1145 | L | A | 0.0000 | |
| 1146 | F | A | 0.0000 | |
| 1147 | K | A | -0.8932 | |
| 1148 | K | A | -1.1710 | |
| 1149 | L | A | 0.0000 | |
| 1150 | I | A | 0.0000 | |
| 1151 | L | A | 0.0000 | |
| 1152 | D | A | -1.3900 | |
| 1153 | K | A | -1.7603 | |
| 1154 | I | A | 0.0000 | |
| 1155 | L | A | 0.0000 | |
| 1156 | D | A | -1.2112 | |
| 1157 | E | A | 0.0000 | |
| 1158 | D | A | -0.3438 | |
| 1159 | L | A | 0.3500 | |
| 1160 | Y | A | 0.7606 | |
| 1161 | I | A | 0.3177 | |
| 1162 | N | A | -0.7141 | |
| 1163 | A | A | -1.1064 | |
| 1164 | N | A | -2.3502 | |
| 1165 | D | A | -2.5153 | |
| 1166 | Q | A | -1.9508 | |
| 1167 | A | A | -0.6135 | |
| 1168 | I | A | 0.2645 | |
| 1169 | A | A | -0.0160 | |
| 1170 | Y | A | -0.4426 | |
| 1171 | V | A | 0.0000 | |
| 1172 | M | A | -1.0080 | |
| 1173 | L | A | -1.1120 | |
| 1174 | G | A | 0.0000 | |
| 1175 | N | A | -2.0307 | |
| 1176 | K | A | -1.6758 | |
| 1177 | A | A | 0.0000 | |
| 1178 | Q | A | -2.1829 | |
| 1179 | T | A | -1.7645 | |
| 1180 | V | A | 0.0000 | |
| 1181 | L | A | -1.7187 | |
| 1182 | N | A | -1.9106 | |
| 1183 | G | A | -1.8328 | |
| 1184 | N | A | -2.0689 | |
| 1185 | L | A | -1.6305 | |
| 1186 | K | A | -2.8864 | |
| 1187 | V | A | 0.0000 | |
| 1188 | D | A | -3.0405 | |
| 1189 | F | A | 0.0000 | |
| 1190 | M | A | -0.9365 | |
| 1191 | E | A | -1.0211 | |
| 1192 | T | A | 0.0000 | |
| 1193 | E | A | -2.2943 | |
| 1194 | N | A | -2.3490 | |
| 1207 | K | A | -0.9021 | |
| 1208 | V | A | 0.3539 | |
| 1209 | S | A | -0.8888 | |
| 1210 | Q | A | -1.8213 | |
| 1211 | R | A | -2.2377 |
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 | -0.9387 | 3.1915 | View | CSV | PDB |
| 4.5 | -1.0035 | 3.1924 | View | CSV | PDB |
| 5.0 | -1.077 | 3.1949 | View | CSV | PDB |
| 5.5 | -1.1455 | 3.2013 | View | CSV | PDB |
| 6.0 | -1.1965 | 3.2138 | View | CSV | PDB |
| 6.5 | -1.2233 | 3.232 | View | CSV | PDB |
| 7.0 | -1.2268 | 3.2533 | View | CSV | PDB |
| 7.5 | -1.2142 | 3.2759 | View | CSV | PDB |
| 8.0 | -1.1911 | 3.2988 | View | CSV | PDB |
| 8.5 | -1.158 | 3.3217 | View | CSV | PDB |
| 9.0 | -1.1124 | 3.3443 | 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