| Chain sequence(s) |
A: FGKGHGF
C: FGKGHGF B: FGKGHGF E: FGKGHGF D: FGKGHGF G: FGKGHGF F: FGKGHGF H: FGKGHGF 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 (00:02:48)
[INFO] Main: Simulation completed successfully. (00:02:50)
|
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 | 3.3873 | |
| 2 | G | A | 0.0000 | |
| 3 | K | A | -0.7722 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -1.9271 | |
| 6 | G | A | 0.0000 | |
| 7 | F | A | 1.4778 | |
| 1 | F | B | 3.3791 | |
| 2 | G | B | 1.6209 | |
| 3 | K | B | -0.7219 | |
| 4 | G | B | 0.0000 | |
| 5 | H | B | -1.5012 | |
| 6 | G | B | 0.0000 | |
| 7 | F | B | 1.9556 | |
| 1 | F | C | 2.5459 | |
| 2 | G | C | 0.5909 | |
| 3 | K | C | -1.4357 | |
| 4 | G | C | -1.9107 | |
| 5 | H | C | -1.4445 | |
| 6 | G | C | 0.0571 | |
| 7 | F | C | 2.2496 | |
| 1 | F | D | 3.0148 | |
| 2 | G | D | 1.5067 | |
| 3 | K | D | -1.1163 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -1.8475 | |
| 6 | G | D | 0.0000 | |
| 7 | F | D | 1.8391 | |
| 1 | F | E | 3.4112 | |
| 2 | G | E | 0.0000 | |
| 3 | K | E | -0.7807 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -1.7531 | |
| 6 | G | E | 0.0000 | |
| 7 | F | E | 1.6795 | |
| 1 | F | F | 2.9264 | |
| 2 | G | F | 1.2583 | |
| 3 | K | F | -1.1730 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | -1.9323 | |
| 6 | G | F | 0.0000 | |
| 7 | F | F | 1.4573 | |
| 1 | F | G | 2.4505 | |
| 2 | G | G | 0.7755 | |
| 3 | K | G | -1.8194 | |
| 4 | G | G | -2.5687 | |
| 5 | H | G | -2.1882 | |
| 6 | G | G | -0.6720 | |
| 7 | F | G | 1.7071 | |
| 1 | F | H | 2.7970 | |
| 2 | G | H | 1.2156 | |
| 3 | K | H | -1.4653 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -2.2838 | |
| 6 | G | H | -0.8348 | |
| 7 | F | H | 1.2792 |