| Chain sequence(s) |
A: KLVFFAE
C: KLVFFAE B: KLVFFAE E: KLVFFAE D: KLVFFAE G: KLVFFAE F: KLVFFAE H: KLVFFAE input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:44)
[INFO] Main: Simulation completed successfully. (00:01:46)
|
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 | K | A | -2.6385 | |
| 2 | L | A | -0.5819 | |
| 3 | V | A | 1.1699 | |
| 4 | F | A | 2.1002 | |
| 5 | F | A | 0.8850 | |
| 6 | A | A | -0.8884 | |
| 7 | E | A | -2.9304 | |
| 1 | K | B | -2.5481 | |
| 2 | L | B | -0.3475 | |
| 3 | V | B | 1.1738 | |
| 4 | F | B | 2.1713 | |
| 5 | F | B | 0.9620 | |
| 6 | A | B | -0.9532 | |
| 7 | E | B | -2.9121 | |
| 1 | K | C | -2.8397 | |
| 2 | L | C | -0.2702 | |
| 3 | V | C | 1.4440 | |
| 4 | F | C | 2.3191 | |
| 5 | F | C | 1.1470 | |
| 6 | A | C | -0.7288 | |
| 7 | E | C | -2.8466 | |
| 1 | K | D | -2.2186 | |
| 2 | L | D | -0.0163 | |
| 3 | V | D | 2.1734 | |
| 4 | F | D | 3.4084 | |
| 5 | F | D | 2.2334 | |
| 6 | A | D | -0.0056 | |
| 7 | E | D | -2.3648 | |
| 1 | K | E | -1.4404 | |
| 2 | L | E | 1.5400 | |
| 3 | V | E | 3.4042 | |
| 4 | F | E | 3.9346 | |
| 5 | F | E | 2.8130 | |
| 6 | A | E | 0.2445 | |
| 7 | E | E | -1.9951 | |
| 1 | K | F | -1.0844 | |
| 2 | L | F | 1.7710 | |
| 3 | V | F | 3.2763 | |
| 4 | F | F | 4.0717 | |
| 5 | F | F | 1.9301 | |
| 6 | A | F | -0.1077 | |
| 7 | E | F | -2.0284 | |
| 1 | K | G | -2.5020 | |
| 2 | L | G | -0.0774 | |
| 3 | V | G | 1.6793 | |
| 4 | F | G | 3.2719 | |
| 5 | F | G | 2.2468 | |
| 6 | A | G | 0.2251 | |
| 7 | E | G | -2.3488 | |
| 1 | K | H | -2.6447 | |
| 2 | L | H | -0.3771 | |
| 3 | V | H | 1.0957 | |
| 4 | F | H | 2.3484 | |
| 5 | F | H | 0.9158 | |
| 6 | A | H | -0.6930 | |
| 7 | E | H | -2.8375 |