| Chain sequence(s) |
A: FFKGHGG
C: FFKGHGG B: FFKGHGG E: FFKGHGG D: FFKGHGG G: FFKGHGG F: FFKGHGG H: FFKGHGG 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:46)
[INFO] Main: Simulation completed successfully. (00:11:49)
|
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 | F | A | 3.3761 | |
| 2 | F | A | 1.1535 | |
| 3 | K | A | -1.4751 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -2.5441 | |
| 6 | G | A | -1.8002 | |
| 7 | G | A | -1.6301 | |
| 1 | F | B | 4.0806 | |
| 2 | F | B | 2.8579 | |
| 3 | K | B | 0.1919 | |
| 4 | G | B | -1.3074 | |
| 5 | H | B | -2.4722 | |
| 6 | G | B | -1.8140 | |
| 7 | G | B | -1.7292 | |
| 1 | F | C | 3.7427 | |
| 2 | F | C | 2.4179 | |
| 3 | K | C | -0.5425 | |
| 4 | G | C | -1.8697 | |
| 5 | H | C | -2.6686 | |
| 6 | G | C | -1.8153 | |
| 7 | G | C | -1.7741 | |
| 1 | F | D | 2.4384 | |
| 2 | F | D | 1.8915 | |
| 3 | K | D | -1.0487 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -2.3856 | |
| 6 | G | D | -1.8522 | |
| 7 | G | D | -1.1569 | |
| 1 | F | E | 2.2662 | |
| 2 | F | E | 1.9253 | |
| 3 | K | E | -0.9287 | |
| 4 | G | E | -1.1817 | |
| 5 | H | E | -1.9617 | |
| 6 | G | E | -1.9056 | |
| 7 | G | E | -1.1843 | |
| 1 | F | F | 0.0000 | |
| 2 | F | F | 3.0225 | |
| 3 | K | F | 0.8467 | |
| 4 | G | F | -0.7887 | |
| 5 | H | F | -2.2742 | |
| 6 | G | F | 0.0000 | |
| 7 | G | F | -1.6171 | |
| 1 | F | G | 3.5792 | |
| 2 | F | G | 3.6794 | |
| 3 | K | G | 1.6047 | |
| 4 | G | G | 0.0362 | |
| 5 | H | G | -1.4625 | |
| 6 | G | G | -1.5584 | |
| 7 | G | G | -1.2468 | |
| 1 | F | H | 3.7266 | |
| 2 | F | H | 3.2426 | |
| 3 | K | H | 0.7087 | |
| 4 | G | H | -0.7561 | |
| 5 | H | H | -1.9025 | |
| 6 | G | H | -1.5738 | |
| 7 | G | H | -1.3858 |