Chain sequence(s) |
A: MSAKNNIQDQLLNTARKDKLDLTIYLLNGVPLKGKVVSFDNFTIVLEQENKQSLVYKHAISTIIPAKIIKLYTEEAKDNKDAAQG
C: MSAKNNIQDQLLNTARKDKLDLTIYLLNGVPLKGKVVSFDNFTIVLEQENKQSLVYKHAISTIIPAKIIKLYTEEAKDNKDAAQG B: MSAKNNIQDQLLNTARKDKLDLTIYLLNGVPLKGKVVSFDNFTIVLEQENKQSLVYKHAISTIIPAKIIKLYTEEAKDNKDAAQG E: MSAKNNIQDQLLNTARKDKLDLTIYLLNGVPLKGKVVSFDNFTIVLEQENKQSLVYKHAISTIIPAKIIKLYTEEAKDNKDAAQG D: MSAKNNIQDQLLNTARKDKLDLTIYLLNGVPLKGKVVSFDNFTIVLEQENKQSLVYKHAISTIIPAKIIKLYTEEAKDNKDAAQG F: MSAKNNIQDQLLNTARKDKLDLTIYLLNGVPLKGKVVSFDNFTIVLEQENKQSLVYKHAISTIIPAKIIKLYTEEAKDNKDAAQG input PDB |
Selected Chain(s) | A,C,B,E,D,F |
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 (00:06:40) [INFO] Main: Simulation completed successfully. (00:06:45) |
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 | M | A | 0.7341 | |
2 | S | A | -0.2816 | |
3 | A | A | -0.8175 | |
4 | K | A | -2.2723 | |
5 | N | A | -2.1066 | |
6 | N | A | -1.2766 | |
7 | I | A | 0.0000 | |
8 | Q | A | -0.5015 | |
9 | D | A | -1.0713 | |
10 | Q | A | -0.9557 | |
11 | L | A | 0.0000 | |
12 | L | A | 0.0000 | |
13 | N | A | -1.4392 | |
14 | T | A | -2.0087 | |
15 | A | A | 0.0000 | |
16 | R | A | -2.6305 | |
17 | K | A | -3.3615 | |
18 | D | A | -3.9206 | |
19 | K | A | -3.8093 | |
20 | L | A | 0.0000 | |
21 | D | A | -3.4646 | |
22 | L | A | 0.0000 | |
23 | T | A | -0.7861 | |
24 | I | A | 0.0000 | |
25 | Y | A | 0.7058 | |
26 | L | A | 0.0000 | |
27 | L | A | -0.1215 | |
28 | N | A | -0.5141 | |
29 | G | A | 0.3698 | |
30 | V | A | 0.9114 | |
31 | P | A | 0.3140 | |
32 | L | A | -0.4425 | |
33 | K | A | -2.3506 | |
34 | G | A | 0.0000 | |
35 | K | A | -3.0325 | |
36 | V | A | 0.0000 | |
37 | V | A | -0.2646 | |
38 | S | A | 0.0000 | |
39 | F | A | 0.1997 | |
40 | D | A | -0.2709 | |
41 | N | A | -0.4561 | |
42 | F | A | 1.0711 | |
43 | T | A | 0.0000 | |
44 | I | A | 0.0000 | |
45 | V | A | 0.0000 | |
46 | L | A | 0.0000 | |
47 | E | A | -2.4489 | |
48 | Q | A | -3.5523 | |
49 | E | A | -3.6353 | |
50 | N | A | -3.2477 | |
51 | K | A | -3.0967 | |
52 | Q | A | 0.0000 | |
53 | S | A | -0.4136 | |
54 | L | A | 0.0000 | |
55 | V | A | 0.0000 | |
56 | Y | A | 0.0000 | |
57 | K | A | 0.0000 | |
58 | H | A | -0.6841 | |
59 | A | A | 0.0000 | |
60 | I | A | 0.0000 | |
61 | S | A | 0.0000 | |
62 | T | A | 0.0000 | |
63 | I | A | 0.0000 | |
64 | I | A | -0.4588 | |
65 | P | A | 0.0000 | |
66 | A | A | -1.2574 | |
67 | K | A | -1.9903 | |
68 | I | A | -0.7537 | |
69 | I | A | 0.0000 | |
70 | K | A | -1.4904 | |
71 | L | A | 0.0000 | |
72 | Y | A | -0.7454 | |
73 | T | A | -1.6238 | |
74 | E | A | -3.1902 | |
75 | E | A | -3.4707 | |
76 | A | A | -3.1169 | |
77 | K | A | -4.5365 | |
78 | D | A | -4.8130 | |
79 | N | A | -4.3177 | |
80 | K | A | -4.3069 | |
81 | D | A | -4.1758 | |
82 | A | A | -2.7131 | |
83 | A | A | -2.1196 | |
84 | Q | A | -2.3868 | |
85 | G | A | -1.6008 | |
1 | M | B | 0.7076 | |
2 | S | B | -0.2538 | |
3 | A | B | -0.7202 | |
4 | K | B | -2.1088 | |
5 | N | B | -1.9026 | |
6 | N | B | -1.1320 | |
7 | I | B | 0.0000 | |
8 | Q | B | 0.0000 | |
9 | D | B | -1.1827 | |
10 | Q | B | -0.8547 | |
11 | L | B | 0.0000 | |
12 | L | B | 0.0000 | |
13 | N | B | -1.4698 | |
14 | T | B | -1.9959 | |
15 | A | B | 0.0000 | |
16 | R | B | -2.5672 | |
17 | K | B | -3.3212 | |
18 | D | B | -3.8572 | |
19 | K | B | -3.7310 | |
20 | L | B | -2.9351 | |
21 | D | B | -3.3929 | |
22 | L | B | 0.0000 | |
23 | T | B | -0.8226 | |
24 | I | B | 0.0000 | |
25 | Y | B | 0.5227 | |
26 | L | B | 0.0000 | |
27 | L | B | -0.1526 | |
28 | N | B | -0.5508 | |
29 | G | B | 0.2714 | |
30 | V | B | 0.8260 | |
31 | P | B | 0.2000 | |
32 | L | B | -0.5172 | |
33 | K | B | -2.3966 | |
34 | G | B | -2.8385 | |
35 | K | B | -3.0087 | |
36 | V | B | 0.0000 | |
37 | V | B | -0.2923 | |
38 | S | B | 0.0000 | |
39 | F | B | 0.1772 | |
40 | D | B | -0.2879 | |
41 | N | B | -0.5134 | |
42 | F | B | 1.1527 | |
43 | T | B | 0.0000 | |
44 | I | B | 0.0000 | |
45 | V | B | 0.0000 | |
46 | L | B | 0.0000 | |
47 | E | B | -2.4327 | |
48 | Q | B | -3.5826 | |
49 | E | B | -3.6622 | |
50 | N | B | -3.2459 | |
51 | K | B | -3.1285 | |
52 | Q | B | 0.0000 | |
53 | S | B | -0.4127 | |
54 | L | B | 0.0000 | |
55 | V | B | 0.0000 | |
56 | Y | B | 0.0000 | |
57 | K | B | -0.0407 | |
58 | H | B | -0.2112 | |
59 | A | B | 0.0000 | |
60 | I | B | 0.0000 | |
61 | S | B | 0.0000 | |
62 | T | B | 0.0000 | |
63 | I | B | 0.0000 | |
64 | I | B | -0.4723 | |
65 | P | B | 0.0000 | |
66 | A | B | -1.2202 | |
67 | K | B | -1.9711 | |
68 | I | B | -0.7482 | |
69 | I | B | 0.0000 | |
70 | K | B | -1.3511 | |
71 | L | B | 0.0000 | |
72 | Y | B | -0.1691 | |
73 | T | B | -1.4395 | |
74 | E | B | -3.4303 | |
75 | E | B | -3.6494 | |
76 | A | B | -3.1606 | |
77 | K | B | -4.6485 | |
78 | D | B | -4.9459 | |
79 | N | B | -4.3892 | |
80 | K | B | -4.4420 | |
81 | D | B | -4.2487 | |
82 | A | B | -2.7689 | |
83 | A | B | -2.1584 | |
84 | Q | B | -2.4244 | |
85 | G | B | -1.6118 | |
1 | M | C | 0.7049 | |
2 | S | C | -0.2372 | |
3 | A | C | -0.6646 | |
4 | K | C | -1.9855 | |
5 | N | C | -1.4871 | |
6 | N | C | -1.0151 | |
7 | I | C | 0.0000 | |
8 | Q | C | 0.0000 | |
9 | D | C | -1.2241 | |
10 | Q | C | -0.8849 | |
11 | L | C | 0.0000 | |
12 | L | C | 0.0000 | |
13 | N | C | -1.5962 | |
14 | T | C | -2.0900 | |
15 | A | C | 0.0000 | |
16 | R | C | -2.6645 | |
17 | K | C | -3.3826 | |
18 | D | C | -3.9443 | |
19 | K | C | -3.8408 | |
20 | L | C | 0.0000 | |
21 | D | C | -3.5154 | |
22 | L | C | 0.0000 | |
23 | T | C | -0.8375 | |
24 | I | C | 0.0000 | |
25 | Y | C | 0.5846 | |
26 | L | C | 0.0000 | |
27 | L | C | -0.0440 | |
28 | N | C | -0.5450 | |
29 | G | C | 0.2892 | |
30 | V | C | 0.8306 | |
31 | P | C | 0.2282 | |
32 | L | C | -0.5165 | |
33 | K | C | -2.4183 | |
34 | G | C | -2.9165 | |
35 | K | C | -3.1499 | |
36 | V | C | 0.0000 | |
37 | V | C | -0.2683 | |
38 | S | C | 0.0000 | |
39 | F | C | 0.1156 | |
40 | D | C | -0.4178 | |
41 | N | C | -0.5547 | |
42 | F | C | 1.1536 | |
43 | T | C | 0.0000 | |
44 | I | C | 0.0000 | |
45 | V | C | 0.0000 | |
46 | L | C | 0.0000 | |
47 | E | C | -2.5014 | |
48 | Q | C | -3.6208 | |
49 | E | C | -3.6692 | |
50 | N | C | -3.2653 | |
51 | K | C | -3.1354 | |
52 | Q | C | 0.0000 | |
53 | S | C | -0.4285 | |
54 | L | C | 0.0000 | |
55 | V | C | 0.0000 | |
56 | Y | C | 0.0000 | |
57 | K | C | 0.0000 | |
58 | H | C | -0.0142 | |
59 | A | C | 0.0000 | |
60 | I | C | 0.0000 | |
61 | S | C | 0.0000 | |
62 | T | C | 0.0000 | |
63 | I | C | 0.0000 | |
64 | I | C | -0.4618 | |
65 | P | C | 0.0000 | |
66 | A | C | -1.2364 | |
67 | K | C | -1.9304 | |
68 | I | C | -0.6063 | |
69 | I | C | 0.0000 | |
70 | K | C | -1.3129 | |
71 | L | C | 0.0000 | |
72 | Y | C | -0.1229 | |
73 | T | C | -1.1773 | |
74 | E | C | -3.2462 | |
75 | E | C | -3.5322 | |
76 | A | C | -3.0950 | |
77 | K | C | -4.5824 | |
78 | D | C | -4.9103 | |
79 | N | C | -4.3694 | |
80 | K | C | -4.4229 | |
81 | D | C | -4.2304 | |
82 | A | C | -2.7509 | |
83 | A | C | -1.9678 | |
84 | Q | C | -2.4113 | |
85 | G | C | -1.6107 | |
1 | M | D | 0.7010 | |
2 | S | D | -0.2516 | |
3 | A | D | -0.6884 | |
4 | K | D | -2.1029 | |
5 | N | D | -1.6648 | |
6 | N | D | -1.0840 | |
7 | I | D | 0.0000 | |
8 | Q | D | -0.5500 | |
9 | D | D | -1.3859 | |
10 | Q | D | -0.9280 | |
11 | L | D | 0.0000 | |
12 | L | D | 0.0000 | |
13 | N | D | -1.7172 | |
14 | T | D | -2.1505 | |
15 | A | D | 0.0000 | |
16 | R | D | -2.7052 | |
17 | K | D | -3.4183 | |
18 | D | D | -3.9497 | |
19 | K | D | -3.8336 | |
20 | L | D | 0.0000 | |
21 | D | D | -3.4620 | |
22 | L | D | 0.0000 | |
23 | T | D | -0.8345 | |
24 | I | D | 0.0000 | |
25 | Y | D | 0.5266 | |
26 | L | D | 0.0000 | |
27 | L | D | -0.0519 | |
28 | N | D | -0.5423 | |
29 | G | D | 0.2769 | |
30 | V | D | 0.8404 | |
31 | P | D | 0.2220 | |
32 | L | D | -0.4954 | |
33 | K | D | -2.3748 | |
34 | G | D | -2.8086 | |
35 | K | D | -3.0151 | |
36 | V | D | 0.0000 | |
37 | V | D | -0.2866 | |
38 | S | D | 0.0000 | |
39 | F | D | 0.1436 | |
40 | D | D | -0.4552 | |
41 | N | D | -0.5384 | |
42 | F | D | 1.1575 | |
43 | T | D | 0.0000 | |
44 | I | D | 0.0000 | |
45 | V | D | 0.0000 | |
46 | L | D | 0.0000 | |
47 | E | D | -2.3814 | |
48 | Q | D | -3.4733 | |
49 | E | D | -3.5884 | |
50 | N | D | -3.1548 | |
51 | K | D | -2.9624 | |
52 | Q | D | 0.0000 | |
53 | S | D | -0.4172 | |
54 | L | D | 0.0000 | |
55 | V | D | 0.0000 | |
56 | Y | D | 0.0000 | |
57 | K | D | 0.0000 | |
58 | H | D | -0.0023 | |
59 | A | D | 0.0000 | |
60 | I | D | 0.0000 | |
61 | S | D | 0.0000 | |
62 | T | D | 0.0000 | |
63 | I | D | 0.0000 | |
64 | I | D | -0.4884 | |
65 | P | D | 0.0000 | |
66 | A | D | -1.2657 | |
67 | K | D | -2.0048 | |
68 | I | D | -0.7670 | |
69 | I | D | 0.0000 | |
70 | K | D | -1.3531 | |
71 | L | D | 0.0000 | |
72 | Y | D | -0.1772 | |
73 | T | D | -1.2790 | |
74 | E | D | -3.4515 | |
75 | E | D | -3.6428 | |
76 | A | D | -3.3641 | |
77 | K | D | -4.6784 | |
78 | D | D | -4.9697 | |
79 | N | D | -4.3923 | |
80 | K | D | -4.4404 | |
81 | D | D | -4.2515 | |
82 | A | D | -2.7665 | |
83 | A | D | -2.1480 | |
84 | Q | D | -2.4129 | |
85 | G | D | -1.6122 | |
1 | M | E | 0.7064 | |
2 | S | E | -0.3071 | |
3 | A | E | -0.8134 | |
4 | K | E | -2.2867 | |
5 | N | E | -2.3236 | |
6 | N | E | -1.4561 | |
7 | I | E | 0.0000 | |
8 | Q | E | -0.6962 | |
9 | D | E | -1.4532 | |
10 | Q | E | -1.2770 | |
11 | L | E | 0.0000 | |
12 | L | E | 0.0000 | |
13 | N | E | -1.8173 | |
14 | T | E | -2.1637 | |
15 | A | E | 0.0000 | |
16 | R | E | -2.6960 | |
17 | K | E | -3.3679 | |
18 | D | E | -3.8140 | |
19 | K | E | -3.7412 | |
20 | L | E | -2.8463 | |
21 | D | E | -3.3356 | |
22 | L | E | 0.0000 | |
23 | T | E | -0.8356 | |
24 | I | E | 0.0000 | |
25 | Y | E | 0.5267 | |
26 | L | E | 0.0000 | |
27 | L | E | -0.0622 | |
28 | N | E | -0.5604 | |
29 | G | E | 0.2711 | |
30 | V | E | 0.8236 | |
31 | P | E | 0.2104 | |
32 | L | E | -0.5200 | |
33 | K | E | -2.4167 | |
34 | G | E | -2.8916 | |
35 | K | E | -3.0870 | |
36 | V | E | 0.0000 | |
37 | V | E | -0.2883 | |
38 | S | E | 0.0000 | |
39 | F | E | 0.1340 | |
40 | D | E | -0.3366 | |
41 | N | E | -0.5207 | |
42 | F | E | 1.1849 | |
43 | T | E | 0.0000 | |
44 | I | E | 0.0000 | |
45 | V | E | 0.0000 | |
46 | L | E | 0.0000 | |
47 | E | E | -2.5162 | |
48 | Q | E | -3.6428 | |
49 | E | E | -3.7024 | |
50 | N | E | -3.3364 | |
51 | K | E | -3.2654 | |
52 | Q | E | 0.0000 | |
53 | S | E | -0.4494 | |
54 | L | E | 0.0000 | |
55 | V | E | 0.0000 | |
56 | Y | E | 0.0000 | |
57 | K | E | 0.0000 | |
58 | H | E | 0.0014 | |
59 | A | E | 0.0000 | |
60 | I | E | 0.0000 | |
61 | S | E | 0.0000 | |
62 | T | E | 0.0000 | |
63 | I | E | 0.0000 | |
64 | I | E | -0.4214 | |
65 | P | E | 0.0000 | |
66 | A | E | -0.9937 | |
67 | K | E | -1.5143 | |
68 | I | E | -0.6687 | |
69 | I | E | 0.0000 | |
70 | K | E | -1.5383 | |
71 | L | E | 0.0000 | |
72 | Y | E | -1.0923 | |
73 | T | E | -1.8157 | |
74 | E | E | -3.7957 | |
75 | E | E | -3.7639 | |
76 | A | E | -3.3280 | |
77 | K | E | -4.7668 | |
78 | D | E | -4.9544 | |
79 | N | E | -4.3781 | |
80 | K | E | -4.4193 | |
81 | D | E | -4.2273 | |
82 | A | E | -2.7511 | |
83 | A | E | -2.1407 | |
84 | Q | E | -2.3954 | |
85 | G | E | -1.5991 | |
1 | M | F | 0.6971 | |
2 | S | F | -0.2496 | |
3 | A | F | -0.7106 | |
4 | K | F | -2.0631 | |
5 | N | F | -1.6349 | |
6 | N | F | -1.1969 | |
7 | I | F | 0.0000 | |
8 | Q | F | 0.0000 | |
9 | D | F | -1.2330 | |
10 | Q | F | -0.8917 | |
11 | L | F | 0.0000 | |
12 | L | F | 0.0000 | |
13 | N | F | -1.5601 | |
14 | T | F | -2.0821 | |
15 | A | F | 0.0000 | |
16 | R | F | -2.8481 | |
17 | K | F | -3.4659 | |
18 | D | F | -3.9685 | |
19 | K | F | -3.9052 | |
20 | L | F | 0.0000 | |
21 | D | F | -3.5096 | |
22 | L | F | 0.0000 | |
23 | T | F | -0.8216 | |
24 | I | F | 0.0000 | |
25 | Y | F | 0.5795 | |
26 | L | F | 0.0000 | |
27 | L | F | -0.0491 | |
28 | N | F | -0.5809 | |
29 | G | F | 0.2586 | |
30 | V | F | 0.8100 | |
31 | P | F | 0.2074 | |
32 | L | F | -0.5271 | |
33 | K | F | -2.4242 | |
34 | G | F | -2.9339 | |
35 | K | F | -3.1816 | |
36 | V | F | 0.0000 | |
37 | V | F | -0.5528 | |
38 | S | F | 0.0000 | |
39 | F | F | 0.0739 | |
40 | D | F | -0.4653 | |
41 | N | F | -0.5754 | |
42 | F | F | 1.1271 | |
43 | T | F | 0.0000 | |
44 | I | F | 0.0000 | |
45 | V | F | 0.0000 | |
46 | L | F | 0.0000 | |
47 | E | F | -2.6054 | |
48 | Q | F | -3.6689 | |
49 | E | F | -3.6876 | |
50 | N | F | -3.2769 | |
51 | K | F | -3.1384 | |
52 | Q | F | 0.0000 | |
53 | S | F | -0.4740 | |
54 | L | F | 0.0000 | |
55 | V | F | 0.0000 | |
56 | Y | F | 0.0000 | |
57 | K | F | 0.0157 | |
58 | H | F | -0.1038 | |
59 | A | F | 0.0000 | |
60 | I | F | 0.0000 | |
61 | S | F | 0.0000 | |
62 | T | F | 0.0000 | |
63 | I | F | 0.0000 | |
64 | I | F | -0.4852 | |
65 | P | F | 0.0000 | |
66 | A | F | -1.2945 | |
67 | K | F | -2.0602 | |
68 | I | F | -0.8606 | |
69 | I | F | 0.0000 | |
70 | K | F | -1.3671 | |
71 | L | F | 0.0000 | |
72 | Y | F | -0.1524 | |
73 | T | F | -1.2169 | |
74 | E | F | -3.3091 | |
75 | E | F | -3.5654 | |
76 | A | F | -3.1258 | |
77 | K | F | -4.6039 | |
78 | D | F | -4.9116 | |
79 | N | F | -4.3762 | |
80 | K | F | -4.4253 | |
81 | D | F | -4.2258 | |
82 | A | F | -2.7465 | |
83 | A | F | -2.1408 | |
84 | Q | F | -2.4086 | |
85 | G | F | -1.5988 |