Chain sequence(s) |
A: GIVEQCCTSICSLYQLENYCN
B: FVNQHLCGSHLVVEALYLVCGERRGFFYTPKA input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | CC7A |
Energy difference between WT (input) and mutated protein (by FoldX) | -0.0593577 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 all chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimalization (00:00:00) [INFO] FoldX: Building mutant model (00:00:16) [INFO] FoldX: Starting FoldX energy minimalization (00:00:16) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:25) [INFO] Main: Simulation completed successfully. (00:00:26) |
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 | G | A | -1.3962 | |
2 | I | A | 0.0000 | |
3 | V | A | -1.2637 | |
4 | E | A | -1.9368 | |
5 | Q | A | -1.4234 | |
6 | C | A | 0.0000 | |
7 | C | A | -0.7770 | mutated: CC7A |
8 | T | A | -0.6218 | |
9 | S | A | -0.3610 | |
10 | I | A | 0.1208 | |
11 | C | A | 0.0000 | |
12 | S | A | 0.4535 | |
13 | L | A | 1.1358 | |
14 | Y | A | 1.0767 | |
15 | Q | A | -0.1636 | |
16 | L | A | 0.0000 | |
17 | E | A | -1.1070 | |
18 | N | A | -1.3552 | |
19 | Y | A | -0.5266 | |
20 | C | A | -1.0763 | |
21 | N | A | -1.8180 | |
1 | F | B | 1.2502 | |
2 | V | B | 0.5758 | |
3 | N | B | -0.6775 | |
4 | Q | B | -0.9723 | |
5 | H | B | -0.9635 | |
6 | L | B | 0.0000 | |
7 | C | B | -0.8281 | |
8 | G | B | -0.6429 | |
9 | S | B | -1.0965 | |
10 | H | B | -1.3049 | |
11 | L | B | 0.0000 | |
12 | V | B | 0.0959 | |
13 | E | B | -0.9569 | |
14 | A | B | 0.0000 | |
15 | L | B | 0.0000 | |
16 | Y | B | 1.0305 | |
17 | L | B | 1.2745 | |
18 | V | B | 0.4971 | |
19 | C | B | 0.0000 | |
20 | G | B | -1.0482 | |
21 | E | B | -2.4178 | |
22 | R | B | -2.3712 | |
23 | G | B | -0.7523 | |
24 | F | B | 0.2440 | |
25 | F | B | 1.5308 | |
26 | Y | B | 1.1737 | |
27 | T | B | 0.0038 | |
28 | P | B | -0.9523 | |
29 | K | B | -1.7191 | |
30 | A | B | -1.0456 |