| Chain sequence(s) |
A: QMSLGAENCVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYCTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAEALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEWQIDRLIWGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYSLMSFPQSAPHGVVFLSVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTSWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | IA1130A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.196005 kcal/mol |
| 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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] FoldX: Building mutant model (00:02:15)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:18)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:26)
[INFO] Main: Simulation completed successfully. (00:04:31)
|
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 | |
| 696 | Q | A | -0.7367 | |
| 697 | M | A | 0.6556 | |
| 698 | S | A | 0.6913 | |
| 699 | L | A | 1.2548 | |
| 700 | G | A | -0.1870 | |
| 701 | A | A | -1.0292 | |
| 702 | E | A | -1.9561 | |
| 703 | N | A | -1.3192 | |
| 704 | C | A | 0.7564 | |
| 705 | V | A | 1.8692 | |
| 706 | A | A | 1.5934 | |
| 707 | Y | A | 1.4235 | |
| 708 | S | A | -0.2614 | |
| 709 | N | A | -1.7067 | |
| 710 | N | A | -1.8315 | |
| 711 | S | A | -1.0580 | |
| 712 | I | A | -1.0189 | |
| 713 | A | A | -1.7008 | |
| 714 | I | A | 0.0000 | |
| 715 | P | A | 0.0000 | |
| 716 | T | A | -1.9685 | |
| 717 | N | A | -1.4104 | |
| 718 | F | A | 0.0000 | |
| 719 | T | A | -0.3201 | |
| 720 | I | A | 0.0000 | |
| 721 | S | A | -0.3814 | |
| 722 | V | A | -0.4290 | |
| 723 | T | A | -0.5668 | |
| 724 | T | A | -0.4209 | |
| 725 | E | A | -0.5885 | |
| 726 | I | A | -0.2685 | |
| 727 | L | A | 0.0000 | |
| 728 | P | A | 0.0000 | |
| 729 | V | A | 0.0000 | |
| 730 | S | A | 0.0000 | |
| 731 | M | A | 0.0000 | |
| 732 | T | A | 0.1830 | |
| 733 | K | A | 0.0000 | |
| 734 | T | A | 0.0000 | |
| 735 | S | A | 0.0733 | |
| 736 | V | A | 0.0000 | |
| 737 | D | A | -1.2603 | |
| 738 | C | A | 0.0000 | |
| 739 | T | A | -0.6604 | |
| 740 | M | A | -0.5946 | |
| 741 | Y | A | 0.0000 | |
| 742 | I | A | 0.0000 | |
| 743 | C | A | 0.0000 | |
| 744 | G | A | 0.0000 | |
| 745 | D | A | -1.4805 | |
| 746 | S | A | -1.3319 | |
| 747 | T | A | -1.3704 | |
| 748 | E | A | -2.4103 | |
| 749 | C | A | -1.1949 | |
| 750 | S | A | -0.8885 | |
| 751 | N | A | -1.3627 | |
| 752 | L | A | -0.6828 | |
| 753 | L | A | 0.0723 | |
| 754 | L | A | 0.5584 | |
| 755 | Q | A | -0.5633 | |
| 756 | Y | A | 0.2538 | |
| 757 | G | A | -0.0776 | |
| 758 | S | A | -0.1057 | |
| 759 | F | A | 0.2271 | |
| 760 | C | A | 0.0000 | |
| 761 | T | A | -1.1962 | |
| 762 | Q | A | -1.7567 | |
| 763 | L | A | 0.0000 | |
| 764 | N | A | -1.8613 | |
| 765 | R | A | -2.5238 | |
| 766 | A | A | -1.3150 | |
| 767 | L | A | 0.0000 | |
| 768 | T | A | -0.9023 | |
| 769 | G | A | -0.6047 | |
| 770 | I | A | 0.0000 | |
| 771 | A | A | 0.0000 | |
| 772 | V | A | 0.2900 | |
| 773 | E | A | -1.3085 | |
| 774 | Q | A | 0.0000 | |
| 775 | D | A | -1.2355 | |
| 776 | K | A | -2.5038 | |
| 777 | N | A | 0.0000 | |
| 778 | T | A | -1.5771 | |
| 779 | Q | A | -2.2595 | |
| 780 | E | A | -2.4250 | |
| 781 | V | A | 0.0000 | |
| 782 | F | A | 0.0000 | |
| 783 | A | A | -1.3595 | |
| 784 | Q | A | -1.4130 | |
| 785 | V | A | 0.0000 | |
| 786 | K | A | -2.0601 | |
| 787 | Q | A | -1.3282 | |
| 788 | I | A | 0.4279 | |
| 789 | Y | A | 0.5965 | |
| 790 | C | A | 1.0542 | |
| 791 | T | A | 0.5977 | |
| 792 | P | A | 0.2087 | |
| 793 | P | A | 0.1924 | |
| 794 | I | A | 0.5367 | |
| 795 | K | A | -1.9592 | |
| 796 | D | A | -2.3543 | |
| 797 | F | A | 0.0000 | |
| 798 | G | A | -1.6550 | |
| 799 | G | A | -2.1462 | |
| 800 | F | A | 0.0000 | |
| 801 | N | A | -2.3389 | |
| 802 | F | A | 0.0000 | |
| 803 | S | A | -1.1122 | |
| 804 | Q | A | -1.0215 | |
| 805 | I | A | 0.0000 | |
| 806 | L | A | 0.0000 | |
| 807 | P | A | -1.3253 | |
| 808 | D | A | -1.5987 | |
| 809 | P | A | -1.5664 | |
| 810 | S | A | -1.2714 | |
| 811 | K | A | -1.7466 | |
| 812 | P | A | -1.8043 | |
| 813 | S | A | -2.4604 | |
| 814 | K | A | -3.1544 | |
| 815 | R | A | -2.1846 | |
| 816 | S | A | 0.0000 | |
| 817 | P | A | -0.7356 | |
| 818 | I | A | 0.0000 | |
| 819 | E | A | 0.0000 | |
| 820 | D | A | -1.0010 | |
| 821 | L | A | -0.2978 | |
| 822 | L | A | 0.0000 | |
| 823 | F | A | -0.1048 | |
| 824 | N | A | -1.0291 | |
| 825 | K | A | -0.6527 | |
| 826 | V | A | 0.0000 | |
| 827 | T | A | -0.3447 | |
| 828 | L | A | -0.0992 | |
| 829 | A | A | -1.1686 | |
| 830 | D | A | -1.6192 | |
| 831 | A | A | -0.5152 | |
| 832 | G | A | 0.1636 | |
| 833 | F | A | 1.0709 | |
| 834 | I | A | 1.2011 | |
| 835 | K | A | -0.8456 | |
| 836 | Q | A | -1.6630 | |
| 837 | Y | A | -1.0885 | |
| 838 | G | A | -1.4244 | |
| 839 | D | A | -1.9540 | |
| 840 | C | A | -0.7873 | |
| 841 | L | A | 0.6212 | |
| 842 | G | A | -0.4837 | |
| 843 | D | A | -1.5120 | |
| 844 | I | A | -0.5270 | |
| 845 | A | A | 0.0000 | |
| 846 | A | A | -1.1578 | |
| 847 | R | A | -2.2642 | |
| 848 | D | A | -1.4522 | |
| 849 | L | A | 0.3354 | |
| 850 | I | A | 0.1349 | |
| 851 | C | A | 0.0000 | |
| 852 | A | A | 0.0000 | |
| 853 | Q | A | 0.0000 | |
| 854 | K | A | -0.3060 | |
| 855 | F | A | 0.0000 | |
| 856 | N | A | 0.0000 | |
| 857 | G | A | -0.6639 | |
| 858 | L | A | 0.0000 | |
| 859 | T | A | 0.4797 | |
| 860 | V | A | 1.7430 | |
| 861 | L | A | 1.0802 | |
| 862 | P | A | 0.3784 | |
| 863 | P | A | 0.0523 | |
| 864 | L | A | 0.4068 | |
| 865 | L | A | -0.1517 | |
| 866 | T | A | -0.8534 | |
| 867 | D | A | -2.4795 | |
| 868 | E | A | -2.6546 | |
| 869 | M | A | -0.8717 | |
| 870 | I | A | -0.8357 | |
| 871 | A | A | 0.0000 | |
| 872 | Q | A | -1.3275 | |
| 873 | Y | A | -0.5118 | |
| 874 | T | A | 0.0000 | |
| 875 | S | A | -0.2296 | |
| 876 | A | A | 0.0000 | |
| 877 | L | A | 0.0000 | |
| 878 | L | A | 0.0000 | |
| 879 | A | A | 0.0000 | |
| 880 | G | A | 0.0000 | |
| 881 | T | A | 0.0000 | |
| 882 | I | A | 0.0000 | |
| 883 | T | A | 0.0426 | |
| 884 | S | A | 0.0000 | |
| 885 | G | A | 0.0000 | |
| 886 | W | A | 0.5562 | |
| 887 | T | A | 0.3298 | |
| 888 | F | A | 0.0000 | |
| 889 | G | A | -0.7613 | |
| 890 | A | A | -0.8180 | |
| 891 | G | A | -0.3240 | |
| 892 | P | A | -0.0509 | |
| 893 | A | A | 0.2215 | |
| 894 | L | A | 1.0705 | |
| 895 | Q | A | -0.1641 | |
| 896 | I | A | 0.4816 | |
| 897 | P | A | -0.0020 | |
| 898 | F | A | 0.0000 | |
| 899 | P | A | 0.4228 | |
| 900 | M | A | 0.9077 | |
| 901 | Q | A | 0.0000 | |
| 902 | M | A | 0.0000 | |
| 903 | A | A | 0.0000 | |
| 904 | Y | A | 0.9020 | |
| 905 | R | A | 0.0000 | |
| 906 | F | A | 0.0000 | |
| 907 | N | A | -0.8136 | |
| 908 | G | A | -0.5254 | |
| 909 | I | A | 0.0000 | |
| 910 | G | A | -1.0503 | |
| 911 | V | A | 0.0000 | |
| 912 | T | A | -1.0901 | |
| 913 | Q | A | -1.5200 | |
| 914 | N | A | -2.1785 | |
| 915 | V | A | 0.0000 | |
| 916 | L | A | 0.0000 | |
| 917 | Y | A | -1.5034 | |
| 918 | E | A | -2.5798 | |
| 919 | N | A | -1.8362 | |
| 920 | Q | A | -1.8631 | |
| 921 | K | A | -2.3545 | |
| 922 | L | A | -1.2614 | |
| 923 | I | A | 0.0000 | |
| 924 | A | A | 0.0000 | |
| 925 | N | A | -2.0252 | |
| 926 | Q | A | -1.2568 | |
| 927 | F | A | 0.0000 | |
| 928 | N | A | -1.6745 | |
| 929 | S | A | -1.5127 | |
| 930 | A | A | -1.0661 | |
| 931 | I | A | 0.0000 | |
| 932 | G | A | -1.7134 | |
| 933 | K | A | -2.4529 | |
| 934 | I | A | -1.3499 | |
| 935 | Q | A | -1.6130 | |
| 936 | D | A | -2.5204 | |
| 937 | S | A | -1.5153 | |
| 938 | L | A | -1.0253 | |
| 939 | S | A | -1.3061 | |
| 940 | S | A | -0.8858 | |
| 941 | T | A | -0.6180 | |
| 942 | P | A | -0.4467 | |
| 943 | S | A | -0.4461 | |
| 944 | A | A | -0.7047 | |
| 945 | L | A | -0.7332 | |
| 946 | G | A | -1.4171 | |
| 947 | K | A | -2.0564 | |
| 948 | L | A | 0.0000 | |
| 949 | Q | A | -1.6359 | |
| 950 | D | A | -2.5322 | |
| 951 | V | A | 0.0000 | |
| 952 | V | A | 0.0000 | |
| 953 | N | A | -2.5226 | |
| 954 | Q | A | -2.2905 | |
| 955 | N | A | -1.6201 | |
| 956 | A | A | -1.9804 | |
| 957 | E | A | -2.7006 | |
| 958 | A | A | -1.6147 | |
| 959 | L | A | -0.9537 | |
| 960 | N | A | -2.2793 | |
| 961 | T | A | -1.6962 | |
| 962 | L | A | 0.0000 | |
| 963 | V | A | -1.1368 | |
| 964 | K | A | -2.2589 | |
| 965 | Q | A | -1.4999 | |
| 966 | L | A | 0.0000 | |
| 967 | S | A | -1.2092 | |
| 968 | S | A | -1.1335 | |
| 969 | N | A | -0.8994 | |
| 970 | F | A | -0.3229 | |
| 971 | G | A | -0.4147 | |
| 972 | A | A | 0.3683 | |
| 973 | I | A | 1.2944 | |
| 974 | S | A | 0.2048 | |
| 975 | S | A | -0.5367 | |
| 976 | V | A | 0.0000 | |
| 977 | L | A | 0.0000 | |
| 978 | N | A | -1.4285 | |
| 979 | D | A | -0.8276 | |
| 980 | I | A | 0.0000 | |
| 981 | L | A | -0.9872 | |
| 982 | S | A | -1.2521 | |
| 983 | R | A | -1.9582 | |
| 984 | L | A | -2.0066 | |
| 985 | D | A | -2.9233 | |
| 986 | P | A | -2.1145 | |
| 987 | P | A | -1.9770 | |
| 988 | E | A | -2.6546 | |
| 989 | A | A | 0.0000 | |
| 990 | E | A | -2.2427 | |
| 991 | W | A | -0.6830 | |
| 992 | Q | A | -0.7391 | |
| 993 | I | A | 0.0000 | |
| 994 | D | A | -0.6003 | |
| 995 | R | A | -0.8187 | |
| 996 | L | A | 0.0000 | |
| 997 | I | A | 0.0000 | |
| 998 | W | A | 0.2945 | |
| 999 | G | A | 0.0000 | |
| 1000 | R | A | 0.0000 | |
| 1001 | L | A | 0.0000 | |
| 1002 | Q | A | -1.1420 | |
| 1003 | S | A | 0.0000 | |
| 1004 | L | A | 0.0000 | |
| 1005 | Q | A | -1.1657 | |
| 1006 | T | A | -0.8316 | |
| 1007 | Y | A | -0.5584 | |
| 1008 | V | A | 0.0000 | |
| 1009 | T | A | -0.0241 | |
| 1010 | Q | A | -0.4183 | |
| 1011 | Q | A | 0.0000 | |
| 1012 | L | A | 0.9196 | |
| 1013 | I | A | 1.3791 | |
| 1014 | R | A | -0.1747 | |
| 1015 | A | A | -0.3242 | |
| 1016 | A | A | -0.4442 | |
| 1017 | E | A | -1.5661 | |
| 1018 | I | A | 0.0000 | |
| 1019 | R | A | -1.6713 | |
| 1020 | A | A | -1.0526 | |
| 1021 | S | A | 0.0000 | |
| 1022 | A | A | 0.0000 | |
| 1023 | N | A | -1.2796 | |
| 1024 | L | A | -0.0243 | |
| 1025 | A | A | 0.0000 | |
| 1026 | A | A | -0.7791 | |
| 1027 | T | A | -0.4109 | |
| 1028 | K | A | 0.0000 | |
| 1029 | M | A | 0.0000 | |
| 1030 | S | A | -0.4789 | |
| 1031 | E | A | -1.1614 | |
| 1032 | C | A | 0.0000 | |
| 1033 | V | A | 0.0000 | |
| 1034 | L | A | -0.0895 | |
| 1035 | G | A | -0.4272 | |
| 1036 | Q | A | -0.8535 | |
| 1037 | S | A | 0.0000 | |
| 1038 | K | A | -2.3424 | |
| 1039 | R | A | -2.1779 | |
| 1040 | V | A | -0.4906 | |
| 1041 | D | A | -1.9583 | |
| 1042 | F | A | -1.1927 | |
| 1043 | C | A | 0.0000 | |
| 1044 | G | A | -1.1864 | |
| 1045 | K | A | -1.8501 | |
| 1046 | G | A | -0.6344 | |
| 1047 | Y | A | -0.3338 | |
| 1048 | S | A | 0.0000 | |
| 1049 | L | A | 0.0000 | |
| 1050 | M | A | 0.0000 | |
| 1051 | S | A | 0.0000 | |
| 1052 | F | A | 0.0000 | |
| 1053 | P | A | 0.0000 | |
| 1054 | Q | A | 0.0000 | |
| 1055 | S | A | -0.5003 | |
| 1056 | A | A | -0.1945 | |
| 1057 | P | A | -0.2995 | |
| 1058 | H | A | -0.5328 | |
| 1059 | G | A | 0.0000 | |
| 1060 | V | A | 0.0000 | |
| 1061 | V | A | 0.0000 | |
| 1062 | F | A | 0.0000 | |
| 1063 | L | A | 0.0000 | |
| 1064 | S | A | 0.0000 | |
| 1065 | V | A | 0.0000 | |
| 1066 | T | A | 0.0000 | |
| 1067 | Y | A | 0.0000 | |
| 1068 | V | A | -0.0288 | |
| 1069 | P | A | -0.7825 | |
| 1070 | A | A | -1.4140 | |
| 1071 | Q | A | -2.6220 | |
| 1072 | E | A | -3.3684 | |
| 1073 | K | A | -3.0727 | |
| 1074 | N | A | -2.3458 | |
| 1075 | F | A | 0.0000 | |
| 1076 | T | A | -1.1095 | |
| 1077 | T | A | -0.8006 | |
| 1078 | A | A | -0.3606 | |
| 1079 | P | A | -0.2066 | |
| 1080 | A | A | 0.0000 | |
| 1081 | I | A | 0.0000 | |
| 1082 | C | A | 0.0000 | |
| 1083 | H | A | -1.8050 | |
| 1084 | D | A | -2.7467 | |
| 1085 | G | A | -2.5078 | |
| 1086 | K | A | -1.9333 | |
| 1087 | A | A | 0.0000 | |
| 1088 | H | A | 0.0000 | |
| 1089 | F | A | 0.5403 | |
| 1090 | P | A | -0.9984 | |
| 1091 | R | A | -2.4923 | |
| 1092 | E | A | -2.9174 | |
| 1093 | G | A | -2.1164 | |
| 1094 | V | A | -0.7940 | |
| 1095 | F | A | 0.0000 | |
| 1096 | V | A | 0.0000 | |
| 1097 | S | A | 0.0000 | |
| 1098 | N | A | -1.6065 | |
| 1099 | G | A | -1.1322 | |
| 1100 | T | A | -0.6522 | |
| 1101 | S | A | -0.4459 | |
| 1102 | W | A | -0.0449 | |
| 1103 | F | A | 0.1163 | |
| 1104 | V | A | 0.0000 | |
| 1105 | T | A | 0.0000 | |
| 1106 | Q | A | -2.0132 | |
| 1107 | R | A | -2.2556 | |
| 1108 | N | A | -1.1365 | |
| 1109 | F | A | -0.8559 | |
| 1110 | Y | A | -1.3408 | |
| 1111 | E | A | -1.4015 | |
| 1112 | P | A | -0.6919 | |
| 1113 | Q | A | -0.6767 | |
| 1114 | I | A | 0.3514 | |
| 1115 | I | A | 0.0000 | |
| 1116 | T | A | 0.0000 | |
| 1117 | T | A | -0.8594 | |
| 1118 | D | A | -2.1343 | |
| 1119 | N | A | -2.0958 | |
| 1120 | T | A | 0.0000 | |
| 1121 | F | A | 1.3026 | |
| 1122 | V | A | 1.2987 | |
| 1123 | S | A | 0.2026 | |
| 1124 | G | A | -1.4458 | |
| 1125 | N | A | -1.9042 | |
| 1126 | C | A | -1.2826 | |
| 1127 | D | A | -1.2660 | |
| 1128 | V | A | 0.7324 | |
| 1129 | V | A | 0.4562 | |
| 1130 | A | A | 0.3118 | mutated: IA1130A |
| 1131 | G | A | -0.3280 | |
| 1132 | I | A | 0.1723 | |
| 1133 | V | A | -0.2389 | |
| 1134 | N | A | -1.6268 | |
| 1135 | N | A | -1.1649 | |
| 1136 | T | A | -0.7929 | |
| 1137 | V | A | 0.0000 | |
| 1138 | Y | A | -0.1805 | |
| 1139 | D | A | -1.3517 | |
| 1140 | P | A | -0.6786 | |
| 1141 | L | A | 0.8785 |
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