Chain sequence(s) |
A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV E: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV G: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV F: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV I: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV H: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV input PDB |
Selected Chain(s) | A,C,B,E,D,G,F,I,H |
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 (00:00:01) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:48) [INFO] Main: Simulation completed successfully. (00:05:52) |
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 | D | A | -2.9905 | |
2 | A | A | -2.1747 | |
3 | E | A | -3.0530 | |
4 | F | A | -1.5099 | |
5 | R | A | -2.4793 | |
6 | H | A | -2.3623 | |
7 | D | A | 0.0000 | |
8 | S | A | -0.7406 | |
9 | G | A | -0.1633 | |
10 | Y | A | 1.0879 | |
11 | E | A | 0.6749 | |
12 | V | A | 1.3023 | |
13 | H | A | -0.4165 | |
14 | H | A | -1.8285 | |
15 | Q | A | -2.1767 | |
16 | K | A | -1.8735 | |
17 | L | A | 0.3595 | |
18 | V | A | 2.1047 | |
19 | F | A | 1.4950 | |
20 | F | A | 0.1169 | |
21 | A | A | -0.9143 | |
22 | E | A | -3.2093 | |
23 | D | A | -2.7261 | |
24 | V | A | -1.7886 | |
25 | G | A | 0.0000 | |
26 | S | A | -0.8160 | |
27 | N | A | -0.4470 | |
28 | K | A | -0.6394 | |
29 | G | A | -0.4055 | |
30 | A | A | 0.7936 | |
31 | I | A | 1.0174 | |
32 | I | A | 1.3741 | |
33 | G | A | 0.4359 | |
34 | L | A | 0.7945 | |
35 | M | A | 0.9650 | |
36 | V | A | 0.5866 | |
37 | G | A | -0.2929 | |
38 | G | A | 0.8544 | |
39 | V | A | 2.0548 | |
40 | V | A | 2.2128 | |
1 | D | B | -2.8627 | |
2 | A | B | -1.9757 | |
3 | E | B | -2.7606 | |
4 | F | B | -1.1399 | |
5 | R | B | -2.2714 | |
6 | H | B | -2.2045 | |
7 | D | B | 0.0000 | |
8 | S | B | -0.5488 | |
9 | G | B | -0.0328 | |
10 | Y | B | 1.2328 | |
11 | E | B | 0.5024 | |
12 | V | B | 0.7051 | |
13 | H | B | -0.8520 | |
14 | H | B | -2.1638 | |
15 | Q | B | -2.3177 | |
16 | K | B | -1.9870 | |
17 | L | B | 0.3008 | |
18 | V | B | 2.0346 | |
19 | F | B | 1.4517 | |
20 | F | B | 0.2105 | |
21 | A | B | -0.8252 | |
22 | E | B | -3.0247 | |
23 | D | B | -2.4285 | |
24 | V | B | -1.6210 | |
25 | G | B | 0.0000 | |
26 | S | B | -0.8222 | |
27 | N | B | -0.5972 | |
28 | K | B | -0.8643 | |
29 | G | B | -0.5109 | |
30 | A | B | 0.8727 | |
31 | I | B | 1.0421 | |
32 | I | B | 1.3705 | |
33 | G | B | 0.3235 | |
34 | L | B | 0.6674 | |
35 | M | B | 0.8673 | |
36 | V | B | 0.5529 | |
37 | G | B | -0.3820 | |
38 | G | B | 0.7354 | |
39 | V | B | 2.0252 | |
40 | V | B | 2.1455 | |
1 | D | C | -2.8461 | |
2 | A | C | -1.9415 | |
3 | E | C | -2.6742 | |
4 | F | C | -0.9595 | |
5 | R | C | -2.1731 | |
6 | H | C | -2.1164 | |
7 | D | C | 0.0000 | |
8 | S | C | -0.5598 | |
9 | G | C | 0.0207 | |
10 | Y | C | 1.3046 | |
11 | E | C | 0.8749 | |
12 | V | C | 1.4886 | |
13 | H | C | -0.4087 | |
14 | H | C | -1.9688 | |
15 | Q | C | -2.2926 | |
16 | K | C | -1.9903 | |
17 | L | C | 0.2886 | |
18 | V | C | 2.0421 | |
19 | F | C | 1.4539 | |
20 | F | C | 0.0973 | |
21 | A | C | -0.9505 | |
22 | E | C | -3.2320 | |
23 | D | C | -2.7725 | |
24 | V | C | -1.9021 | |
25 | G | C | 0.0000 | |
26 | S | C | -1.0339 | |
27 | N | C | -0.8090 | |
28 | K | C | -1.2193 | |
29 | G | C | -0.6800 | |
30 | A | C | 0.6758 | |
31 | I | C | 0.9133 | |
32 | I | C | 1.5929 | |
33 | G | C | 0.6772 | |
34 | L | C | 1.2060 | |
35 | M | C | 1.9177 | |
36 | V | C | 1.0713 | |
37 | G | C | -0.1580 | |
38 | G | C | 1.2032 | |
39 | V | C | 2.5198 | |
40 | V | C | 2.9603 | |
1 | D | D | -3.8795 | |
2 | A | D | -2.8122 | |
3 | E | D | -3.5698 | |
4 | F | D | -1.3848 | |
5 | R | D | -1.8353 | |
6 | H | D | -1.9840 | |
7 | D | D | 0.0000 | |
8 | S | D | -0.5061 | |
9 | G | D | 0.0000 | |
10 | Y | D | 1.0791 | |
11 | E | D | 0.6982 | |
12 | V | D | 0.7569 | |
13 | H | D | 0.0000 | |
14 | H | D | -1.8813 | |
15 | Q | D | 0.0000 | |
16 | K | D | -2.0855 | |
17 | L | D | 0.0000 | |
18 | V | D | 1.6226 | |
19 | F | D | 0.0000 | |
20 | F | D | 0.0000 | |
21 | A | D | -0.9853 | |
22 | E | D | -3.3255 | |
23 | D | D | 0.0000 | |
24 | V | D | 0.0000 | |
25 | G | D | 0.0000 | |
26 | S | D | 0.0000 | |
27 | N | D | 0.0000 | |
28 | K | D | 0.0000 | |
29 | G | D | -0.3879 | |
30 | A | D | 0.0000 | |
31 | I | D | 0.0000 | |
32 | I | D | 1.2645 | |
33 | G | D | 0.7441 | |
34 | L | D | 0.0000 | |
35 | M | D | 1.1703 | |
36 | V | D | 0.0000 | |
37 | G | D | 0.0000 | |
38 | G | D | 1.2686 | |
39 | V | D | 1.9270 | |
40 | V | D | 2.3356 | |
1 | D | E | -3.6714 | |
2 | A | E | -2.4025 | |
3 | E | E | -2.8648 | |
4 | F | E | -1.2146 | |
5 | R | E | -1.8090 | |
6 | H | E | -1.9561 | |
7 | D | E | 0.0000 | |
8 | S | E | -0.3470 | |
9 | G | E | 0.0000 | |
10 | Y | E | 1.7771 | |
11 | E | E | 1.0800 | |
12 | V | E | 0.8007 | |
13 | H | E | -0.9915 | |
14 | H | E | -2.4856 | |
15 | Q | E | 0.0000 | |
16 | K | E | -2.2330 | |
17 | L | E | 0.0000 | |
18 | V | E | 1.3993 | |
19 | F | E | 0.0000 | |
20 | F | E | 0.0000 | |
21 | A | E | -0.9161 | |
22 | E | E | -3.0799 | |
23 | D | E | 0.0000 | |
24 | V | E | 0.0000 | |
25 | G | E | 0.0000 | |
26 | S | E | 0.0000 | |
27 | N | E | 0.0000 | |
28 | K | E | 0.0000 | |
29 | G | E | -0.4550 | |
30 | A | E | 0.0000 | |
31 | I | E | 0.0000 | |
32 | I | E | 1.1567 | |
33 | G | E | 0.5287 | |
34 | L | E | 0.0000 | |
35 | M | E | 0.0000 | |
36 | V | E | 0.0000 | |
37 | G | E | 0.0000 | |
38 | G | E | 0.0000 | |
39 | V | E | 1.8026 | |
40 | V | E | 2.1012 | |
1 | D | F | -3.6607 | |
2 | A | F | -2.3609 | |
3 | E | F | -2.7158 | |
4 | F | F | -0.9813 | |
5 | R | F | -1.5206 | |
6 | H | F | -1.7263 | |
7 | D | F | 0.0000 | |
8 | S | F | -0.4407 | |
9 | G | F | 0.0000 | |
10 | Y | F | 1.1968 | |
11 | E | F | 0.9315 | |
12 | V | F | 0.9934 | |
13 | H | F | 0.0000 | |
14 | H | F | -2.3416 | |
15 | Q | F | 0.0000 | |
16 | K | F | -2.2586 | |
17 | L | F | 0.0000 | |
18 | V | F | 1.4633 | |
19 | F | F | 0.0000 | |
20 | F | F | 0.0000 | |
21 | A | F | -1.0123 | |
22 | E | F | -3.3248 | |
23 | D | F | 0.0000 | |
24 | V | F | 0.0000 | |
25 | G | F | 0.0000 | |
26 | S | F | 0.0000 | |
27 | N | F | 0.0000 | |
28 | K | F | 0.0000 | |
29 | G | F | -0.6042 | |
30 | A | F | 0.0000 | |
31 | I | F | 0.0000 | |
32 | I | F | 1.3504 | |
33 | G | F | 0.9706 | |
34 | L | F | 0.0000 | |
35 | M | F | 1.4671 | |
36 | V | F | 0.0000 | |
37 | G | F | 0.0000 | |
38 | G | F | 1.1437 | |
39 | V | F | 2.1245 | |
40 | V | F | 2.3377 | |
1 | D | G | -2.8668 | |
2 | A | G | -2.0201 | |
3 | E | G | -2.4259 | |
4 | F | G | -0.2433 | |
5 | R | G | -1.6621 | |
6 | H | G | -2.0342 | |
7 | D | G | -2.2921 | |
8 | S | G | -1.1858 | |
9 | G | G | 0.0000 | |
10 | Y | G | 0.8127 | |
11 | E | G | -0.0678 | |
12 | V | G | 0.5561 | |
13 | H | G | -0.9507 | |
14 | H | G | -1.8568 | |
15 | Q | G | -2.4137 | |
16 | K | G | -2.1096 | |
17 | L | G | -0.2284 | |
18 | V | G | 1.7060 | |
19 | F | G | 1.7333 | |
20 | F | G | 0.6948 | |
21 | A | G | -0.4048 | |
22 | E | G | -2.5372 | |
23 | D | G | -1.5689 | |
24 | V | G | -1.4504 | |
25 | G | G | -1.1174 | |
26 | S | G | 0.0000 | |
27 | N | G | -0.7501 | |
28 | K | G | -0.6053 | |
29 | G | G | -0.2363 | |
30 | A | G | 0.8695 | |
31 | I | G | 1.2140 | |
32 | I | G | 1.6722 | |
33 | G | G | 0.7950 | |
34 | L | G | 1.2672 | |
35 | M | G | 1.8800 | |
36 | V | G | 0.9365 | |
37 | G | G | -0.3789 | |
38 | G | G | 0.7471 | |
39 | V | G | 2.1769 | |
40 | V | G | 2.8228 | |
1 | D | H | -2.6785 | |
2 | A | H | -1.6967 | |
3 | E | H | -1.9782 | |
4 | F | H | -0.2266 | |
5 | R | H | -2.0469 | |
6 | H | H | -2.3423 | |
7 | D | H | -2.4716 | |
8 | S | H | -1.1368 | |
9 | G | H | 0.0000 | |
10 | Y | H | 1.3383 | |
11 | E | H | 0.7957 | |
12 | V | H | 1.0775 | |
13 | H | H | -0.9121 | |
14 | H | H | -2.0151 | |
15 | Q | H | -2.5850 | |
16 | K | H | -2.1971 | |
17 | L | H | -0.2649 | |
18 | V | H | 1.6519 | |
19 | F | H | 1.6672 | |
20 | F | H | 0.6657 | |
21 | A | H | -0.3886 | |
22 | E | H | -2.4556 | |
23 | D | H | -1.4677 | |
24 | V | H | -1.3268 | |
25 | G | H | -1.0972 | |
26 | S | H | 0.0000 | |
27 | N | H | -0.9146 | |
28 | K | H | -0.5918 | |
29 | G | H | -0.3008 | |
30 | A | H | 0.8574 | |
31 | I | H | 1.2153 | |
32 | I | H | 1.6415 | |
33 | G | H | 0.7979 | |
34 | L | H | 1.0837 | |
35 | M | H | 1.4203 | |
36 | V | H | 0.7318 | |
37 | G | H | -0.4944 | |
38 | G | H | 0.6994 | |
39 | V | H | 1.8990 | |
40 | V | H | 2.6542 | |
1 | D | I | -2.6602 | |
2 | A | I | -1.6640 | |
3 | E | I | -1.8260 | |
4 | F | I | 0.0131 | |
5 | R | I | -1.5942 | |
6 | H | I | -2.1098 | |
7 | D | I | -2.3512 | |
8 | S | I | -1.2294 | |
9 | G | I | 0.0000 | |
10 | Y | I | 0.8674 | |
11 | E | I | 0.0984 | |
12 | V | I | 0.7611 | |
13 | H | I | -0.8478 | |
14 | H | I | -1.9636 | |
15 | Q | I | -2.6536 | |
16 | K | I | -2.2490 | |
17 | L | I | -0.2667 | |
18 | V | I | 1.7112 | |
19 | F | I | 1.7121 | |
20 | F | I | 0.6908 | |
21 | A | I | -0.3992 | |
22 | E | I | -2.5104 | |
23 | D | I | -1.5189 | |
24 | V | I | -1.3298 | |
25 | G | I | -1.0899 | |
26 | S | I | 0.0000 | |
27 | N | I | -0.9141 | |
28 | K | I | -0.5819 | |
29 | G | I | -0.2679 | |
30 | A | I | 0.9135 | |
31 | I | I | 1.2574 | |
32 | I | I | 1.7492 | |
33 | G | I | 1.0206 | |
34 | L | I | 1.2596 | |
35 | M | I | 1.5558 | |
36 | V | I | 0.7859 | |
37 | G | I | -0.4951 | |
38 | G | I | 0.6238 | |
39 | V | I | 1.8691 | |
40 | V | I | 2.6276 |