| Chain sequence(s) |
A: KHERFQSLSFPHTKEMMKIFHKKFGLHNFRTNQLEAINAALLGEDCFILMPTGGGKSLCYQLPACVSPGVTVVISPLRSLIVDQVQKLTSLDIPATYLTGDKTDSEATNIYLQLSKKDPIIKLLYVTPEKICASNRLISTLENLYERKLLARFVIDEAHRQDYKRMNMLRRQKFPSVPVMALTATANPRVQKDILTQLKILRPQVFSMSFNRHNLKYYVLPKKPKKVAFDCLEWIRKHHPYDSGIIYCLSRRECDTMADTLQRDGLAALAYHAGLSDSARDEVQQKWINQDGCQVICATIAFGMGIDKPDVRFVIHASLPKSVEGYYQESGRAGRDGEISHCLLFYTYHDVTRLKRLIMMEKDHTRETHFNNLYSMVHHYCENITECRRIQLLAYFGENGFNPDFCKKHPDVSCDNCCKYKTRDVTDDVKSIVRFVQEHSPSGRFTMNMLVDIFLGSKSAKIQSGIFGKGSAYSRHNAERLFKKLILDKILDEDLYINANDQAIAYVMLGNKAQTVLNGNLKVDFMETENKVSQREEMVKKCLGELTEVCKSLGKVFGVHYFNIFNTVTLKKLAESLSSDPEVLLQIDGVTEDKLEKYGAEVISVLQKYSEWTSP
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/dcab39ff05d7d1/tmp/folded.pdb (00:22:10)
[INFO] Main: Simulation completed successfully. (00:28:59)
|
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 | -2.7868 | |
| 641 | H | A | -2.7292 | |
| 642 | E | A | -3.7845 | |
| 643 | R | A | -3.3250 | |
| 644 | F | A | 0.0000 | |
| 645 | Q | A | -2.4220 | |
| 646 | S | A | -0.8726 | |
| 647 | L | A | 0.5498 | |
| 648 | S | A | 0.0711 | |
| 649 | F | A | 0.2090 | |
| 650 | P | A | -0.5152 | |
| 651 | H | A | -0.4977 | |
| 652 | T | A | 0.0000 | |
| 653 | K | A | -2.2967 | |
| 654 | E | A | -2.0564 | |
| 655 | M | A | 0.0000 | |
| 656 | M | A | -1.5992 | |
| 657 | K | A | -2.8707 | |
| 658 | I | A | -1.6515 | |
| 659 | F | A | 0.0000 | |
| 660 | H | A | -2.1001 | |
| 661 | K | A | -2.5723 | |
| 662 | K | A | -1.8863 | |
| 663 | F | A | 0.0000 | |
| 664 | G | A | 0.0000 | |
| 665 | L | A | -0.9361 | |
| 666 | H | A | -1.6230 | |
| 667 | N | A | -1.7916 | |
| 668 | F | A | -1.1845 | |
| 669 | R | A | -2.0681 | |
| 670 | T | A | -1.0258 | |
| 671 | N | A | 0.0000 | |
| 672 | Q | A | 0.0000 | |
| 673 | L | A | -0.4376 | |
| 674 | E | A | -1.2746 | |
| 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 | 0.3589 | |
| 681 | L | A | 0.4314 | |
| 682 | G | A | -0.4000 | |
| 683 | E | A | -0.7911 | |
| 684 | D | A | -0.6021 | |
| 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 | -0.5915 | |
| 692 | G | A | -0.7373 | |
| 693 | G | A | -0.7500 | |
| 694 | G | A | -0.6971 | |
| 695 | K | A | -0.6176 | |
| 696 | S | A | -0.3047 | |
| 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 | 0.0119 | |
| 705 | V | A | -0.0538 | |
| 706 | S | A | 0.0395 | |
| 707 | P | A | -0.4732 | |
| 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 | -0.9132 | |
| 716 | L | A | -0.3790 | |
| 717 | R | A | -1.8401 | |
| 718 | S | A | -0.5815 | |
| 719 | L | A | -0.1768 | |
| 720 | I | A | 0.0000 | |
| 721 | V | A | 0.1818 | |
| 722 | D | A | -0.3474 | |
| 723 | Q | A | -0.1818 | |
| 724 | V | A | 0.1080 | |
| 725 | Q | A | -0.2667 | |
| 726 | K | A | -0.7663 | |
| 727 | L | A | 0.0000 | |
| 728 | T | A | -0.8060 | |
| 729 | S | A | 0.0000 | |
| 730 | L | A | -1.3212 | |
| 731 | D | A | -1.8924 | |
| 732 | I | A | 0.0000 | |
| 733 | P | A | -0.1935 | |
| 734 | A | A | -0.1538 | |
| 735 | T | A | 0.1301 | |
| 736 | Y | A | -0.1962 | |
| 737 | L | A | 0.0000 | |
| 738 | T | A | 0.0000 | |
| 739 | G | A | -2.1606 | |
| 740 | D | A | -2.6316 | |
| 741 | K | A | -1.8959 | |
| 742 | T | A | -2.0012 | |
| 743 | D | A | -2.6673 | |
| 744 | S | A | -1.8158 | |
| 745 | E | A | -1.7757 | |
| 746 | A | A | -1.7913 | |
| 747 | T | A | -1.3345 | |
| 748 | N | A | -1.3447 | |
| 749 | I | A | 0.0000 | |
| 750 | Y | A | 0.0000 | |
| 751 | L | A | 0.5060 | |
| 752 | Q | A | -0.5287 | |
| 753 | L | A | 0.0000 | |
| 754 | S | A | -1.2827 | |
| 755 | K | A | -2.4922 | |
| 756 | K | A | -3.1956 | |
| 757 | D | A | -2.6971 | |
| 758 | P | A | 0.0000 | |
| 759 | I | A | 0.3226 | |
| 760 | I | A | 0.0000 | |
| 761 | K | A | 0.1323 | |
| 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 | -1.2388 | |
| 768 | E | A | -2.1391 | |
| 769 | K | A | -1.3844 | |
| 770 | I | A | 0.0000 | |
| 771 | C | A | -0.3115 | |
| 772 | A | A | -0.7130 | |
| 773 | S | A | 0.0000 | |
| 774 | N | A | -2.0184 | |
| 775 | R | A | -2.5977 | |
| 776 | L | A | 0.0000 | |
| 777 | I | A | -1.2609 | |
| 778 | S | A | -1.5395 | |
| 779 | T | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | E | A | -2.2670 | |
| 782 | N | A | -1.7484 | |
| 783 | L | A | 0.0000 | |
| 784 | Y | A | -1.8726 | |
| 785 | E | A | -2.7358 | |
| 786 | R | A | -2.4006 | |
| 787 | K | A | -2.4310 | |
| 788 | L | A | -1.6004 | |
| 789 | L | A | 0.0000 | |
| 790 | A | A | -0.3306 | |
| 791 | R | A | 0.0000 | |
| 792 | F | A | 0.0000 | |
| 793 | V | A | 0.0000 | |
| 794 | I | A | 0.0000 | |
| 795 | D | A | -0.6532 | |
| 796 | E | A | -0.8563 | |
| 797 | A | A | 0.0000 | |
| 798 | H | A | -1.2503 | |
| 808 | R | A | -3.0040 | |
| 809 | Q | A | -3.0664 | |
| 810 | D | A | -2.6730 | |
| 811 | Y | A | -2.2542 | |
| 812 | K | A | -2.8590 | |
| 813 | R | A | -2.1351 | |
| 814 | M | A | 0.0000 | |
| 815 | N | A | -2.0318 | |
| 816 | M | A | -1.1737 | |
| 817 | L | A | 0.0000 | |
| 818 | R | A | -1.4371 | |
| 819 | Q | A | -1.9919 | |
| 820 | K | A | -1.9233 | |
| 821 | F | A | 0.0000 | |
| 822 | P | A | -1.1087 | |
| 823 | S | A | -0.8578 | |
| 824 | V | A | 0.0000 | |
| 825 | P | A | -0.2533 | |
| 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 | -0.3966 | |
| 832 | T | A | -0.7760 | |
| 833 | A | A | -0.6741 | |
| 834 | N | A | -1.1927 | |
| 835 | P | A | -1.8055 | |
| 836 | R | A | -2.8182 | |
| 837 | V | A | -1.7864 | |
| 838 | Q | A | -2.0628 | |
| 839 | K | A | -3.1309 | |
| 840 | D | A | -3.3401 | |
| 841 | I | A | 0.0000 | |
| 842 | L | A | -1.3355 | |
| 843 | T | A | -1.8807 | |
| 844 | Q | A | -2.3508 | |
| 845 | L | A | 0.0000 | |
| 846 | K | A | -2.0517 | |
| 847 | I | A | 0.0000 | |
| 848 | L | A | 0.0832 | |
| 849 | R | A | -1.4691 | |
| 850 | P | A | -0.8148 | |
| 851 | Q | A | -0.4238 | |
| 852 | V | A | 0.1988 | |
| 853 | F | A | 0.0000 | |
| 854 | S | A | 0.0372 | |
| 855 | M | A | 0.0670 | |
| 856 | S | A | -0.2160 | |
| 857 | F | A | 0.0000 | |
| 858 | N | A | 0.0000 | |
| 859 | R | A | 0.0000 | |
| 860 | H | A | -1.2096 | |
| 861 | N | A | -1.0975 | |
| 862 | L | A | 0.0000 | |
| 863 | K | A | -0.5905 | |
| 864 | Y | A | 0.0000 | |
| 865 | Y | A | 0.3205 | |
| 866 | V | A | 0.4334 | |
| 867 | L | A | 0.3052 | |
| 868 | P | A | -0.4042 | |
| 869 | K | A | -1.6411 | |
| 870 | K | A | -2.7674 | |
| 871 | P | A | -2.5704 | |
| 872 | K | A | -2.8184 | |
| 873 | K | A | -2.4330 | |
| 874 | V | A | 0.0000 | |
| 875 | A | A | 0.0000 | |
| 876 | F | A | -0.1353 | |
| 877 | D | A | -1.6134 | |
| 878 | C | A | 0.0000 | |
| 879 | L | A | 0.0000 | |
| 880 | E | A | -2.7403 | |
| 881 | W | A | -1.9372 | |
| 882 | I | A | 0.0000 | |
| 883 | R | A | -2.9046 | |
| 884 | K | A | -3.0823 | |
| 885 | H | A | -1.8287 | |
| 886 | H | A | 0.0000 | |
| 887 | P | A | -0.8920 | |
| 888 | Y | A | 0.7486 | |
| 889 | D | A | 0.0271 | |
| 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 | -0.3436 | |
| 897 | S | A | -1.5364 | |
| 898 | R | A | -3.2068 | |
| 899 | R | A | -3.4236 | |
| 900 | E | A | -2.3860 | |
| 901 | C | A | 0.0000 | |
| 902 | D | A | -2.6848 | |
| 903 | T | A | -1.9581 | |
| 904 | M | A | 0.0000 | |
| 905 | A | A | 0.0000 | |
| 906 | D | A | -2.1716 | |
| 907 | T | A | -1.4523 | |
| 908 | L | A | 0.0000 | |
| 909 | Q | A | -2.5366 | |
| 910 | R | A | -3.1170 | |
| 911 | D | A | -2.5825 | |
| 912 | G | A | -1.8098 | |
| 913 | L | A | 0.0000 | |
| 914 | A | A | -1.1261 | |
| 915 | A | A | 0.0000 | |
| 916 | L | A | -0.4260 | |
| 917 | A | A | -1.0043 | |
| 918 | Y | A | 0.0000 | |
| 919 | H | A | 0.0000 | |
| 920 | A | A | -0.5016 | |
| 921 | G | A | -1.1821 | |
| 922 | L | A | -0.9614 | |
| 923 | S | A | -1.6261 | |
| 924 | D | A | -2.8445 | |
| 925 | S | A | -2.4254 | |
| 926 | A | A | -2.1283 | |
| 927 | R | A | -2.7674 | |
| 928 | D | A | -3.9046 | |
| 929 | E | A | -3.7743 | |
| 930 | V | A | 0.0000 | |
| 931 | Q | A | -2.2595 | |
| 932 | Q | A | -3.1105 | |
| 933 | K | A | -2.8788 | |
| 934 | W | A | 0.0000 | |
| 935 | I | A | -1.1126 | |
| 936 | N | A | -1.7460 | |
| 937 | Q | A | -1.6217 | |
| 938 | D | A | -2.5146 | |
| 939 | G | A | -1.6594 | |
| 940 | C | A | 0.0000 | |
| 941 | Q | A | -0.5137 | |
| 942 | V | A | 0.0000 | |
| 943 | I | A | 0.0000 | |
| 944 | C | A | 0.0000 | |
| 945 | A | A | 0.0000 | |
| 946 | T | A | 0.3509 | |
| 947 | I | A | 2.0944 | |
| 948 | A | A | 0.8901 | |
| 949 | F | A | 0.0000 | |
| 950 | G | A | 0.0000 | |
| 951 | M | A | 1.0931 | |
| 952 | G | A | 0.0775 | |
| 953 | I | A | 0.0000 | |
| 954 | D | A | -0.8130 | |
| 955 | K | A | 0.0000 | |
| 956 | P | A | -0.7227 | |
| 957 | D | A | 0.0000 | |
| 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 | -0.3003 | |
| 968 | K | A | -0.9043 | |
| 969 | S | A | -1.2712 | |
| 970 | V | A | 0.0000 | |
| 971 | E | A | -1.8108 | |
| 972 | G | A | -1.1182 | |
| 973 | Y | A | 0.0000 | |
| 974 | Y | A | -0.9225 | |
| 975 | Q | A | -1.4189 | |
| 976 | E | A | 0.0000 | |
| 977 | S | A | 0.0000 | |
| 978 | G | A | -0.5190 | |
| 979 | R | A | 0.0000 | |
| 980 | A | A | 0.0000 | |
| 981 | G | A | 0.0000 | |
| 982 | R | A | -0.8378 | |
| 983 | D | A | -0.7949 | |
| 984 | G | A | -0.9748 | |
| 985 | E | A | -0.6658 | |
| 986 | I | A | -0.3936 | |
| 987 | S | A | 0.0000 | |
| 988 | H | A | -0.1073 | |
| 989 | C | A | 0.0000 | |
| 990 | L | A | 0.0000 | |
| 991 | L | A | 0.0000 | |
| 992 | F | A | 0.0000 | |
| 993 | Y | A | -0.2453 | |
| 994 | T | A | 0.0000 | |
| 995 | Y | A | -0.4766 | |
| 996 | H | A | -0.9873 | |
| 997 | D | A | 0.0000 | |
| 998 | V | A | 0.0000 | |
| 999 | T | A | 0.0000 | |
| 1000 | R | A | -0.6815 | |
| 1001 | L | A | 0.0000 | |
| 1002 | K | A | 0.0000 | |
| 1003 | R | A | 0.1123 | |
| 1004 | L | A | 0.2819 | |
| 1005 | I | A | 0.0000 | |
| 1006 | M | A | -0.1086 | |
| 1007 | M | A | -0.1307 | |
| 1008 | E | A | -2.4510 | |
| 1009 | K | A | -3.3438 | |
| 1010 | D | A | -3.5570 | |
| 1014 | H | A | -2.5042 | |
| 1015 | T | A | -2.5267 | |
| 1016 | R | A | -2.8638 | |
| 1017 | E | A | -2.9334 | |
| 1018 | T | A | -1.9578 | |
| 1019 | H | A | -1.5573 | |
| 1020 | F | A | -1.2291 | |
| 1021 | N | A | -1.7391 | |
| 1022 | N | A | -1.5738 | |
| 1023 | L | A | 0.0000 | |
| 1024 | Y | A | -0.7629 | |
| 1025 | S | A | -0.8720 | |
| 1026 | M | A | 0.0000 | |
| 1027 | V | A | 0.0000 | |
| 1028 | H | A | -1.2787 | |
| 1029 | Y | A | 0.0000 | |
| 1030 | C | A | 0.0000 | |
| 1031 | E | A | -0.8663 | |
| 1032 | N | A | -1.0080 | |
| 1033 | I | A | -1.0256 | |
| 1034 | T | A | -0.6093 | |
| 1035 | E | A | -1.0588 | |
| 1036 | C | A | 0.0000 | |
| 1037 | R | A | 0.0000 | |
| 1038 | R | A | 0.0000 | |
| 1039 | I | A | 0.0000 | |
| 1040 | Q | A | -0.4946 | |
| 1041 | L | A | 0.0000 | |
| 1042 | L | A | 0.0000 | |
| 1043 | A | A | -0.3792 | |
| 1044 | Y | A | 0.0779 | |
| 1045 | F | A | 0.0000 | |
| 1046 | G | A | -1.1106 | |
| 1047 | E | A | -1.1690 | |
| 1048 | N | A | -1.7067 | |
| 1049 | G | A | -1.2447 | |
| 1050 | F | A | -0.9508 | |
| 1051 | N | A | -1.5882 | |
| 1052 | P | A | -1.6888 | |
| 1053 | D | A | -2.7392 | |
| 1054 | F | A | -2.1750 | |
| 1055 | C | A | 0.0000 | |
| 1056 | K | A | -3.4321 | |
| 1057 | K | A | -3.5323 | |
| 1058 | H | A | -2.9876 | |
| 1059 | P | A | -2.4624 | |
| 1060 | D | A | -2.5073 | |
| 1061 | V | A | 0.0000 | |
| 1062 | S | A | 0.0000 | |
| 1063 | C | A | 0.0000 | |
| 1064 | D | A | -0.3419 | |
| 1065 | N | A | 0.0000 | |
| 1066 | C | A | -0.9351 | |
| 1067 | C | A | -0.4460 | |
| 1068 | K | A | -1.5087 | |
| 1072 | Y | A | 0.2011 | |
| 1073 | K | A | -1.1838 | |
| 1074 | T | A | -1.5870 | |
| 1075 | R | A | -2.3334 | |
| 1076 | D | A | -3.4374 | |
| 1077 | V | A | 0.0000 | |
| 1078 | T | A | -2.5886 | |
| 1079 | D | A | -2.4877 | |
| 1080 | D | A | -1.6826 | |
| 1081 | V | A | 0.0000 | |
| 1082 | K | A | -1.5399 | |
| 1083 | S | A | -1.5525 | |
| 1084 | I | A | 0.0000 | |
| 1085 | V | A | 0.0000 | |
| 1086 | R | A | -2.5804 | |
| 1087 | F | A | 0.0000 | |
| 1088 | V | A | 0.0000 | |
| 1089 | Q | A | -2.6099 | |
| 1090 | E | A | -3.1433 | |
| 1091 | H | A | -2.2453 | |
| 1092 | S | A | -1.6902 | |
| 1105 | P | A | -0.2569 | |
| 1106 | S | A | -0.6876 | |
| 1107 | G | A | -1.6238 | |
| 1108 | R | A | -2.1719 | |
| 1109 | F | A | 0.0000 | |
| 1110 | T | A | -0.5962 | |
| 1111 | M | A | 0.0000 | |
| 1112 | N | A | -1.3460 | |
| 1113 | M | A | -1.0252 | |
| 1114 | L | A | 0.0000 | |
| 1115 | V | A | 0.0000 | |
| 1116 | D | A | -1.3382 | |
| 1117 | I | A | 0.0000 | |
| 1118 | F | A | 0.0000 | |
| 1119 | L | A | -0.7992 | |
| 1120 | G | A | -0.9080 | |
| 1121 | S | A | -1.3502 | |
| 1122 | K | A | -2.1579 | |
| 1123 | S | A | -1.4468 | |
| 1124 | A | A | -1.6521 | |
| 1125 | K | A | -1.9361 | |
| 1126 | I | A | -1.1209 | |
| 1127 | Q | A | -1.6738 | |
| 1128 | S | A | -1.0645 | |
| 1129 | G | A | -1.1951 | |
| 1130 | I | A | 0.0000 | |
| 1131 | F | A | -0.7484 | |
| 1132 | G | A | -0.9003 | |
| 1133 | K | A | -1.4563 | |
| 1134 | G | A | 0.0000 | |
| 1135 | S | A | -0.7093 | |
| 1136 | A | A | -0.4264 | |
| 1137 | Y | A | 0.0000 | |
| 1138 | S | A | -1.2703 | |
| 1139 | R | A | -1.7955 | |
| 1140 | H | A | -1.8517 | |
| 1141 | N | A | 0.0000 | |
| 1142 | A | A | 0.0000 | |
| 1143 | E | A | -1.6697 | |
| 1144 | R | A | -1.0952 | |
| 1145 | L | A | 0.0000 | |
| 1146 | F | A | 0.0000 | |
| 1147 | K | A | -0.9919 | |
| 1148 | K | A | -1.2285 | |
| 1149 | L | A | 0.0000 | |
| 1150 | I | A | 0.0000 | |
| 1151 | L | A | 0.0000 | |
| 1152 | D | A | -1.4314 | |
| 1153 | K | A | -1.8150 | |
| 1154 | I | A | 0.0000 | |
| 1155 | L | A | 0.0000 | |
| 1156 | D | A | -1.2252 | |
| 1157 | E | A | 0.0000 | |
| 1158 | D | A | -0.3148 | |
| 1159 | L | A | 0.3979 | |
| 1160 | Y | A | 0.8142 | |
| 1161 | I | A | 0.3356 | |
| 1162 | N | A | -0.7506 | |
| 1163 | A | A | -1.1295 | |
| 1164 | N | A | -2.3541 | |
| 1165 | D | A | -2.4953 | |
| 1166 | Q | A | -1.8789 | |
| 1167 | A | A | -0.5451 | |
| 1168 | I | A | 0.3519 | |
| 1169 | A | A | 0.0303 | |
| 1170 | Y | A | -0.4192 | |
| 1171 | V | A | 0.0000 | |
| 1172 | M | A | -1.0109 | |
| 1173 | L | A | -1.1174 | |
| 1174 | G | A | 0.0000 | |
| 1175 | N | A | -2.0455 | |
| 1176 | K | A | -1.6920 | |
| 1177 | A | A | 0.0000 | |
| 1178 | Q | A | -2.1826 | |
| 1179 | T | A | -1.7640 | |
| 1180 | V | A | 0.0000 | |
| 1181 | L | A | -1.7189 | |
| 1182 | N | A | -1.9113 | |
| 1183 | G | A | -1.8327 | |
| 1184 | N | A | -2.0684 | |
| 1185 | L | A | -1.6286 | |
| 1186 | K | A | -2.8857 | |
| 1187 | V | A | 0.0000 | |
| 1188 | D | A | -3.0028 | |
| 1189 | F | A | 0.0000 | |
| 1190 | M | A | -0.8903 | |
| 1191 | E | A | -0.9668 | |
| 1192 | T | A | 0.0000 | |
| 1193 | E | A | -2.2852 | |
| 1194 | N | A | -2.3465 | |
| 1207 | K | A | -0.9800 | |
| 1208 | V | A | -0.3162 | |
| 1209 | S | A | -1.3629 | |
| 1210 | Q | A | -2.0290 | |
| 1211 | R | A | -2.7857 | |
| 1212 | E | A | -3.3309 | |
| 1213 | E | A | -3.5709 | |
| 1214 | M | A | -2.9229 | |
| 1215 | V | A | 0.0000 | |
| 1216 | K | A | -3.8736 | |
| 1217 | K | A | -3.2314 | |
| 1218 | C | A | 0.0000 | |
| 1219 | L | A | -1.9686 | |
| 1220 | G | A | -1.5921 | |
| 1221 | E | A | -1.6102 | |
| 1222 | L | A | 0.0000 | |
| 1223 | T | A | -1.2075 | |
| 1224 | E | A | -2.0493 | |
| 1225 | V | A | -1.1782 | |
| 1226 | C | A | 0.0000 | |
| 1227 | K | A | -1.4241 | |
| 1228 | S | A | -0.9065 | |
| 1229 | L | A | 0.0000 | |
| 1230 | G | A | 0.0000 | |
| 1231 | K | A | -0.7882 | |
| 1232 | V | A | 1.3612 | |
| 1233 | F | A | 1.3554 | |
| 1234 | G | A | 0.1540 | |
| 1235 | V | A | 0.1002 | |
| 1236 | H | A | -0.7192 | |
| 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 | -0.9438 | |
| 1243 | T | A | -0.5765 | |
| 1244 | V | A | -0.4985 | |
| 1245 | T | A | 0.0000 | |
| 1246 | L | A | 0.0000 | |
| 1247 | K | A | -1.4216 | |
| 1248 | K | A | -1.6933 | |
| 1249 | L | A | 0.0000 | |
| 1250 | A | A | 0.0000 | |
| 1251 | E | A | -2.7064 | |
| 1252 | S | A | -1.1797 | |
| 1253 | L | A | 0.0000 | |
| 1254 | S | A | 0.0000 | |
| 1255 | S | A | -1.2218 | |
| 1256 | D | A | -1.6241 | |
| 1257 | P | A | -1.4704 | |
| 1258 | E | A | -2.0000 | |
| 1259 | V | A | -0.7361 | |
| 1260 | L | A | 0.0000 | |
| 1261 | L | A | -1.2261 | |
| 1262 | Q | A | -1.4781 | |
| 1263 | I | A | 0.0000 | |
| 1264 | D | A | -1.2508 | |
| 1265 | G | A | -0.8395 | |
| 1266 | V | A | 0.0000 | |
| 1267 | T | A | 0.0000 | |
| 1268 | E | A | -2.2665 | |
| 1269 | D | A | -2.3758 | |
| 1270 | K | A | 0.0000 | |
| 1271 | L | A | -1.4319 | |
| 1272 | E | A | -2.4570 | |
| 1273 | K | A | -1.8678 | |
| 1274 | Y | A | 0.0000 | |
| 1275 | G | A | 0.0000 | |
| 1276 | A | A | -0.6830 | |
| 1277 | E | A | -0.8299 | |
| 1278 | V | A | 0.0000 | |
| 1279 | I | A | -0.5764 | |
| 1280 | S | A | -0.8858 | |
| 1281 | V | A | 0.0000 | |
| 1282 | L | A | 0.0000 | |
| 1283 | Q | A | -2.1784 | |
| 1284 | K | A | -2.4749 | |
| 1285 | Y | A | 0.0000 | |
| 1286 | S | A | -1.9268 | |
| 1287 | E | A | -2.3426 | |
| 1288 | W | A | -1.4874 | |
| 1289 | T | A | -1.2894 | |
| 1290 | S | A | -0.7268 | |
| 1291 | P | A | -0.7257 |
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 | -0.8885 | 3.23 | View | CSV | PDB |
| 4.5 | -0.9509 | 3.2306 | View | CSV | PDB |
| 5.0 | -1.0253 | 3.2323 | View | CSV | PDB |
| 5.5 | -1.0965 | 3.2369 | View | CSV | PDB |
| 6.0 | -1.1498 | 3.2468 | View | CSV | PDB |
| 6.5 | -1.1758 | 3.2629 | View | CSV | PDB |
| 7.0 | -1.1744 | 3.2829 | View | CSV | PDB |
| 7.5 | -1.1534 | 3.3047 | View | CSV | PDB |
| 8.0 | -1.121 | 3.3271 | View | CSV | PDB |
| 8.5 | -1.0798 | 3.3496 | View | CSV | PDB |
| 9.0 | -1.0284 | 3.3719 | 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