| Chain sequence(s) |
A: LKHEERFQSLSFPHTKEMMMKIFHHKKFGLHNFRTNQLEAINAALLGEDCFILMPTGGGKSLCYQLPACVSPGVTVVISPLRSLIVDQVQKLTSLDIPATYLTGSEATNIYLQLSKKDPIIKLLYVTPEKICASNRLISTLENLYERKLLARFVIDEAHMLRQKFPSVPVMALTATTANPRVQKDILTQLKILRPQVFSMSFNRRHNLKYYVLPKKPKKVAFDCLEWIRKHHPYDSGIIYCLSRREECDTMADTLQRDGLAALAYHAGLSDSARDEVQQKWINQDGCQVICATIAFGMGIDKPDVRFVIHASLPKSVEGYYQESGRAGRDGEISHCLLFYTYHDVTRLKRLIMMEKDGNHHTRETHFNNLYSMVHYCENITECRRIQLLAYFGENGFNPDFCKKHPDVSCDNCCKKVSQREEMVKKCLGELTEVCKSLGKVFGVHYFNIFNTVTLKKLAESLSSDPEVLLQIDGVTEDKLEEKYGAEVISVLQKYSEWTS
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:30)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6490b781f41ab55/tmp/folded.pdb (00:14:30)
[INFO] Main: Simulation completed successfully. (00:20:02)
|
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 |
|---|---|---|---|---|
| 639 | L | A | -0.2526 | |
| 640 | K | A | -1.9522 | |
| 641 | H | A | -2.2252 | |
| 642 | E | A | -3.1185 | |
| 643 | R | A | -3.0482 | |
| 644 | F | A | 0.0000 | |
| 645 | Q | A | -2.3600 | |
| 646 | S | A | -0.8658 | |
| 647 | L | A | 0.7206 | |
| 648 | S | A | -0.0586 | |
| 649 | F | A | -0.0156 | |
| 650 | P | A | -0.5339 | |
| 651 | H | A | -0.7145 | |
| 652 | T | A | 0.0000 | |
| 653 | K | A | -2.4936 | |
| 654 | E | A | -2.6987 | |
| 655 | M | A | 0.0000 | |
| 656 | M | A | -1.6574 | |
| 657 | K | A | -2.7943 | |
| 658 | I | A | -1.7489 | |
| 659 | F | A | 0.0000 | |
| 660 | H | A | -2.2762 | |
| 661 | K | A | -2.7415 | |
| 662 | K | A | -2.0463 | |
| 663 | F | A | 0.0000 | |
| 664 | G | A | 0.0000 | |
| 665 | L | A | -1.2581 | |
| 666 | H | A | -1.7019 | |
| 667 | N | A | -1.6768 | |
| 668 | F | A | -0.8599 | |
| 669 | R | A | -1.3573 | |
| 670 | T | A | -0.7474 | |
| 671 | N | A | -0.6675 | |
| 672 | Q | A | 0.0000 | |
| 673 | L | A | -0.3455 | |
| 674 | E | A | -1.4619 | |
| 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 | 0.2539 | |
| 681 | L | A | 0.2565 | |
| 682 | G | A | -0.3923 | |
| 683 | E | A | -0.7276 | |
| 684 | D | A | -0.7130 | |
| 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 | -0.5076 | |
| 692 | G | A | -0.9843 | |
| 693 | G | A | -0.7802 | |
| 694 | G | A | -0.5740 | |
| 695 | K | A | 0.0000 | |
| 696 | S | A | -0.1061 | |
| 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 | -0.0793 | |
| 705 | V | A | -0.3772 | |
| 706 | S | A | -0.1391 | |
| 707 | P | A | -0.3979 | |
| 708 | G | A | -0.3312 | |
| 709 | V | A | 0.0000 | |
| 710 | T | A | 0.0000 | |
| 711 | V | A | 0.0000 | |
| 712 | V | A | 0.0000 | |
| 713 | I | A | 0.1219 | |
| 714 | S | A | 0.0000 | |
| 715 | P | A | -0.8845 | |
| 716 | L | A | -0.7534 | |
| 717 | R | A | -1.6038 | |
| 718 | S | A | -0.8119 | |
| 719 | L | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | V | A | 0.0805 | |
| 722 | D | A | 0.0000 | |
| 723 | Q | A | 0.0000 | |
| 724 | V | A | 0.2524 | |
| 725 | Q | A | -0.2578 | |
| 726 | K | A | -0.6195 | |
| 727 | L | A | 0.0000 | |
| 728 | T | A | -0.6963 | |
| 729 | S | A | 0.0000 | |
| 730 | L | A | 0.0000 | |
| 731 | D | A | -2.0311 | |
| 732 | I | A | 0.0000 | |
| 733 | P | A | -0.1814 | |
| 734 | A | A | -0.0224 | |
| 735 | T | A | 0.3112 | |
| 736 | Y | A | 0.2568 | |
| 737 | L | A | 0.0000 | |
| 738 | T | A | -0.8030 | |
| 739 | G | A | -0.8810 | |
| 744 | S | A | -1.3417 | |
| 745 | E | A | -2.2914 | |
| 746 | A | A | -1.3070 | |
| 747 | T | A | -1.0807 | |
| 748 | N | A | -1.3229 | |
| 749 | I | A | -0.3815 | |
| 750 | Y | A | 0.0000 | |
| 751 | L | A | 0.6530 | |
| 752 | Q | A | -0.3838 | |
| 753 | L | A | 0.0000 | |
| 754 | S | A | -1.2918 | |
| 755 | K | A | -2.3528 | |
| 756 | K | A | -2.9627 | |
| 757 | D | A | -2.1177 | |
| 758 | P | A | 0.0000 | |
| 759 | I | A | 0.7150 | |
| 760 | I | A | 0.0000 | |
| 761 | K | A | 0.1972 | |
| 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 | -0.7944 | |
| 768 | E | A | -1.8278 | |
| 769 | K | A | -1.1988 | |
| 770 | I | A | 0.0000 | |
| 771 | C | A | -0.0147 | |
| 772 | A | A | -0.7314 | |
| 773 | S | A | -1.3585 | |
| 774 | N | A | -2.0307 | |
| 775 | R | A | -2.5637 | |
| 776 | L | A | 0.0000 | |
| 777 | I | A | -1.3046 | |
| 778 | S | A | -1.6277 | |
| 779 | T | A | -1.1224 | |
| 780 | L | A | 0.0000 | |
| 781 | E | A | -2.5939 | |
| 782 | N | A | -2.2171 | |
| 783 | L | A | 0.0000 | |
| 784 | Y | A | -2.2006 | |
| 785 | E | A | -3.0042 | |
| 786 | R | A | -2.6148 | |
| 787 | K | A | -2.6180 | |
| 788 | L | A | -1.5526 | |
| 789 | L | A | 0.0000 | |
| 790 | A | A | -0.3494 | |
| 791 | R | A | 0.0000 | |
| 792 | F | A | 0.0000 | |
| 793 | V | A | 0.0000 | |
| 794 | I | A | 0.3441 | |
| 795 | D | A | 0.0000 | |
| 796 | E | A | -0.3727 | |
| 797 | A | A | -0.3731 | |
| 798 | H | A | -1.1883 | |
| 816 | M | A | 0.5249 | |
| 817 | L | A | -0.2207 | |
| 818 | R | A | -1.2875 | |
| 819 | Q | A | -1.7676 | |
| 820 | K | A | -1.7857 | |
| 821 | F | A | 0.0000 | |
| 822 | P | A | -1.1900 | |
| 823 | S | A | -0.9139 | |
| 824 | V | A | 0.0000 | |
| 825 | P | A | -0.3867 | |
| 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 | 0.0000 | |
| 832 | T | A | -0.5171 | |
| 833 | A | A | 0.0000 | |
| 834 | N | A | 0.0000 | |
| 835 | P | A | -1.7672 | |
| 836 | R | A | -2.7456 | |
| 837 | V | A | -1.9283 | |
| 838 | Q | A | -2.0783 | |
| 839 | K | A | -3.2435 | |
| 840 | D | A | -3.5312 | |
| 841 | I | A | 0.0000 | |
| 842 | L | A | -1.8428 | |
| 843 | T | A | -1.9899 | |
| 844 | Q | A | -1.8720 | |
| 845 | L | A | 0.0000 | |
| 846 | K | A | -1.5692 | |
| 847 | I | A | 0.6588 | |
| 848 | L | A | -0.4129 | |
| 849 | R | A | -1.6047 | |
| 850 | P | A | -0.8717 | |
| 851 | Q | A | -0.6145 | |
| 852 | V | A | 0.2120 | |
| 853 | F | A | 0.0000 | |
| 854 | S | A | -0.0161 | |
| 855 | M | A | -0.0223 | |
| 856 | S | A | -0.3853 | |
| 857 | F | A | 0.0000 | |
| 858 | N | A | 0.0000 | |
| 859 | R | A | 0.0000 | |
| 860 | H | A | -1.2299 | |
| 861 | N | A | -1.1206 | |
| 862 | L | A | 0.0000 | |
| 863 | K | A | -0.5512 | |
| 864 | Y | A | 0.0000 | |
| 865 | Y | A | 0.5467 | |
| 866 | V | A | 0.4975 | |
| 867 | L | A | 0.2252 | |
| 868 | P | A | -0.2931 | |
| 869 | K | A | -1.5649 | |
| 870 | K | A | -2.9826 | |
| 871 | P | A | -2.1689 | |
| 872 | K | A | -2.7661 | |
| 873 | K | A | -2.7658 | |
| 874 | V | A | -1.9479 | |
| 875 | A | A | -1.2553 | |
| 876 | F | A | -1.0724 | |
| 877 | D | A | -2.3188 | |
| 878 | C | A | 0.0000 | |
| 879 | L | A | 0.0000 | |
| 880 | E | A | -2.8830 | |
| 881 | W | A | -2.0835 | |
| 882 | I | A | 0.0000 | |
| 883 | R | A | -2.5179 | |
| 884 | K | A | -2.8897 | |
| 885 | H | A | -1.7459 | |
| 886 | H | A | -0.8990 | |
| 887 | P | A | -0.8500 | |
| 888 | Y | A | 0.6455 | |
| 889 | D | A | -0.3113 | |
| 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 | -0.3522 | |
| 897 | S | A | -1.3719 | |
| 898 | R | A | -2.9724 | |
| 899 | R | A | -3.0705 | |
| 900 | E | A | -1.9848 | |
| 901 | C | A | 0.0000 | |
| 902 | D | A | -2.1692 | |
| 903 | T | A | -1.7530 | |
| 904 | M | A | 0.0000 | |
| 905 | A | A | 0.0000 | |
| 906 | D | A | -2.6936 | |
| 907 | T | A | 0.0000 | |
| 908 | L | A | 0.0000 | |
| 909 | Q | A | -2.9466 | |
| 910 | R | A | -3.5501 | |
| 911 | D | A | -2.9698 | |
| 912 | G | A | -2.2151 | |
| 913 | L | A | 0.0000 | |
| 914 | A | A | -1.3194 | |
| 915 | A | A | 0.0000 | |
| 916 | L | A | -0.4165 | |
| 917 | A | A | -0.8603 | |
| 918 | Y | A | 0.0000 | |
| 919 | H | A | 0.0000 | |
| 920 | A | A | -0.7189 | |
| 921 | G | A | -1.3145 | |
| 922 | L | A | -1.0869 | |
| 923 | S | A | -1.6826 | |
| 924 | D | A | -2.8652 | |
| 925 | S | A | -2.3009 | |
| 926 | A | A | -2.2677 | |
| 927 | R | A | -2.8379 | |
| 928 | D | A | -3.8517 | |
| 929 | E | A | -3.6712 | |
| 930 | V | A | 0.0000 | |
| 931 | Q | A | -2.2946 | |
| 932 | Q | A | -2.9094 | |
| 933 | K | A | -2.7183 | |
| 934 | W | A | 0.0000 | |
| 935 | I | A | 0.0000 | |
| 936 | N | A | -1.8982 | |
| 937 | Q | A | -1.7782 | |
| 938 | D | A | -2.6575 | |
| 939 | G | A | -1.6703 | |
| 940 | C | A | 0.0000 | |
| 941 | Q | A | -0.6187 | |
| 942 | V | A | 0.0000 | |
| 943 | I | A | 0.0000 | |
| 944 | C | A | 0.0000 | |
| 945 | A | A | 0.0000 | |
| 946 | T | A | 0.2687 | |
| 947 | I | A | 1.5776 | |
| 948 | A | A | 0.8948 | |
| 949 | F | A | 0.6388 | |
| 950 | G | A | 0.0000 | |
| 951 | M | A | 0.4124 | |
| 952 | G | A | -0.3253 | |
| 953 | I | A | 0.0000 | |
| 954 | D | A | -0.5686 | |
| 955 | K | A | 0.0000 | |
| 956 | P | A | 0.0000 | |
| 957 | D | A | -0.6288 | |
| 958 | V | A | 0.0000 | |
| 959 | R | A | 0.0000 | |
| 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 | -0.8404 | |
| 969 | S | A | -0.7156 | |
| 970 | V | A | 0.0000 | |
| 971 | E | A | -0.6393 | |
| 972 | G | A | -0.3732 | |
| 973 | Y | A | 0.0000 | |
| 974 | Y | A | 0.0000 | |
| 975 | Q | A | -0.4191 | |
| 976 | E | A | 0.0000 | |
| 977 | S | A | 0.0000 | |
| 978 | G | A | 0.0000 | |
| 979 | R | A | -0.6135 | |
| 980 | A | A | 0.0000 | |
| 981 | G | A | 0.0000 | |
| 982 | R | A | -1.0892 | |
| 983 | D | A | -0.8921 | |
| 984 | G | A | -0.9340 | |
| 985 | E | A | -0.5437 | |
| 986 | I | A | -0.4009 | |
| 987 | S | A | 0.0000 | |
| 988 | H | A | -0.1055 | |
| 989 | C | A | 0.0000 | |
| 990 | L | A | 0.0000 | |
| 991 | L | A | 0.0000 | |
| 992 | F | A | 0.0000 | |
| 993 | Y | A | -0.1223 | |
| 994 | T | A | 0.0000 | |
| 995 | Y | A | 0.5487 | |
| 996 | H | A | -0.7505 | |
| 997 | D | A | 0.0000 | |
| 998 | V | A | 0.0000 | |
| 999 | T | A | -1.0228 | |
| 1000 | R | A | -1.3412 | |
| 1001 | L | A | 0.0000 | |
| 1002 | K | A | -1.4613 | |
| 1003 | R | A | -1.7962 | |
| 1004 | L | A | -0.7591 | |
| 1005 | I | A | 0.0000 | |
| 1006 | M | A | -0.6003 | |
| 1007 | M | A | -0.7208 | |
| 1008 | E | A | -2.5813 | |
| 1009 | K | A | -3.1183 | |
| 1010 | D | A | -3.2273 | |
| 1011 | G | A | -3.0897 | |
| 1012 | N | A | -3.0971 | |
| 1013 | H | A | -2.6960 | |
| 1014 | H | A | -2.7283 | |
| 1015 | T | A | -2.5658 | |
| 1016 | R | A | -2.7329 | |
| 1017 | E | A | -3.3349 | |
| 1018 | T | A | -2.0317 | |
| 1019 | H | A | -1.5310 | |
| 1020 | F | A | -1.3049 | |
| 1021 | N | A | -1.6318 | |
| 1022 | N | A | -1.1393 | |
| 1023 | L | A | 0.0000 | |
| 1024 | Y | A | 0.2933 | |
| 1025 | S | A | -0.4283 | |
| 1026 | M | A | 0.0000 | |
| 1027 | V | A | 0.0000 | |
| 1028 | H | A | -1.1491 | |
| 1029 | Y | A | 0.0000 | |
| 1030 | C | A | 0.0000 | |
| 1031 | E | A | -1.3931 | |
| 1032 | N | A | -0.6882 | |
| 1033 | I | A | 0.8054 | |
| 1034 | T | A | -0.1625 | |
| 1035 | E | A | -0.5504 | |
| 1036 | C | A | 0.0000 | |
| 1037 | R | A | 0.0000 | |
| 1038 | R | A | 0.0000 | |
| 1039 | I | A | -0.3924 | |
| 1040 | Q | A | -0.2590 | |
| 1041 | L | A | 0.0000 | |
| 1042 | L | A | 0.0000 | |
| 1043 | A | A | -0.2315 | |
| 1044 | Y | A | 0.1881 | |
| 1045 | F | A | 0.0000 | |
| 1046 | G | A | -0.9023 | |
| 1047 | E | A | -1.1878 | |
| 1048 | N | A | -1.7479 | |
| 1049 | G | A | -1.2994 | |
| 1050 | F | A | -1.0398 | |
| 1051 | N | A | -1.7543 | |
| 1052 | P | A | -1.9690 | |
| 1053 | D | A | -3.2042 | |
| 1054 | F | A | 0.0000 | |
| 1055 | C | A | 0.0000 | |
| 1056 | K | A | -3.5067 | |
| 1057 | K | A | -3.6484 | |
| 1058 | H | A | -2.9135 | |
| 1059 | P | A | -2.2289 | |
| 1060 | D | A | -2.4556 | |
| 1061 | V | A | 0.0000 | |
| 1062 | S | A | 0.0000 | |
| 1063 | C | A | 0.0000 | |
| 1064 | D | A | 0.0000 | |
| 1065 | N | A | -0.0356 | |
| 1066 | C | A | -0.7462 | |
| 1067 | C | A | -0.3896 | |
| 1068 | K | A | -1.1136 | |
| 1207 | K | A | -1.4221 | |
| 1208 | V | A | -1.0156 | |
| 1209 | S | A | -1.6206 | |
| 1210 | Q | A | -2.3603 | |
| 1211 | R | A | -2.8220 | |
| 1212 | E | A | -3.5168 | |
| 1213 | E | A | -3.5452 | |
| 1214 | M | A | -2.8016 | |
| 1215 | V | A | 0.0000 | |
| 1216 | K | A | -3.8984 | |
| 1217 | K | A | -3.2047 | |
| 1218 | C | A | 0.0000 | |
| 1219 | L | A | -2.0779 | |
| 1220 | G | A | -1.8889 | |
| 1221 | E | A | -1.9114 | |
| 1222 | L | A | 0.0000 | |
| 1223 | T | A | -1.3175 | |
| 1224 | E | A | -2.1598 | |
| 1225 | V | A | -1.1895 | |
| 1226 | C | A | 0.0000 | |
| 1227 | K | A | -1.6751 | |
| 1228 | S | A | -0.8586 | |
| 1229 | L | A | 0.0000 | |
| 1230 | G | A | 0.0000 | |
| 1231 | K | A | -0.9141 | |
| 1232 | V | A | 1.1881 | |
| 1233 | F | A | 0.9750 | |
| 1234 | G | A | -0.0842 | |
| 1235 | V | A | 0.0000 | |
| 1236 | H | A | -0.8712 | |
| 1237 | Y | A | 0.0000 | |
| 1238 | F | A | 0.0000 | |
| 1239 | N | A | 0.0000 | |
| 1240 | I | A | 0.0000 | |
| 1241 | F | A | 0.0000 | |
| 1242 | N | A | -0.8217 | |
| 1243 | T | A | -0.4609 | |
| 1244 | V | A | -0.2333 | |
| 1245 | T | A | 0.0000 | |
| 1246 | L | A | 0.0000 | |
| 1247 | K | A | -1.6946 | |
| 1248 | K | A | -2.2357 | |
| 1249 | L | A | 0.0000 | |
| 1250 | A | A | 0.0000 | |
| 1251 | E | A | -2.9124 | |
| 1252 | S | A | -1.3654 | |
| 1253 | L | A | 0.0000 | |
| 1254 | S | A | 0.0000 | |
| 1255 | S | A | -1.2288 | |
| 1256 | D | A | -1.8067 | |
| 1257 | P | A | -1.6453 | |
| 1258 | E | A | -2.1240 | |
| 1259 | V | A | -0.8849 | |
| 1260 | L | A | 0.0000 | |
| 1261 | L | A | -1.5697 | |
| 1262 | Q | A | -1.5567 | |
| 1263 | I | A | 0.0000 | |
| 1264 | D | A | -1.6258 | |
| 1265 | G | A | -1.0753 | |
| 1266 | V | A | 0.0000 | |
| 1267 | T | A | 0.0000 | |
| 1268 | E | A | -2.6260 | |
| 1269 | D | A | -2.6142 | |
| 1270 | K | A | 0.0000 | |
| 1271 | L | A | -1.5560 | |
| 1272 | E | A | -2.5175 | |
| 1273 | K | A | -1.7952 | |
| 1274 | Y | A | 0.0000 | |
| 1275 | G | A | 0.0000 | |
| 1276 | A | A | -0.6109 | |
| 1277 | E | A | -0.7477 | |
| 1278 | V | A | 0.0000 | |
| 1279 | I | A | -0.4982 | |
| 1280 | S | A | -0.7535 | |
| 1281 | V | A | -0.7757 | |
| 1282 | L | A | 0.0000 | |
| 1283 | Q | A | -1.9683 | |
| 1284 | K | A | -2.3329 | |
| 1285 | Y | A | 0.0000 | |
| 1286 | S | A | -1.7811 | |
| 1287 | E | A | -2.2461 | |
| 1288 | W | A | -1.3129 | |
| 1289 | T | A | -1.1225 | |
| 1290 | S | A | -0.5594 |
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 | -0.868 | 2.6378 | View | CSV | PDB |
| 4.5 | -0.9275 | 2.6383 | View | CSV | PDB |
| 5.0 | -0.9998 | 2.6398 | View | CSV | PDB |
| 5.5 | -1.0681 | 2.644 | View | CSV | PDB |
| 6.0 | -1.1161 | 2.6535 | View | CSV | PDB |
| 6.5 | -1.1344 | 2.6701 | View | CSV | PDB |
| 7.0 | -1.1241 | 2.6918 | View | CSV | PDB |
| 7.5 | -1.0943 | 2.716 | View | CSV | PDB |
| 8.0 | -1.0542 | 2.7411 | View | CSV | PDB |
| 8.5 | -1.0076 | 2.7664 | View | CSV | PDB |
| 9.0 | -0.9539 | 2.7916 | 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