| Chain sequence(s) |
A: FFKGHFF
C: FFKGHFF B: FFKGHFF E: FFKGHFF D: FFKGHFF G: FFKGHFF F: FFKGHFF H: FFKGHFF 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 (00:01:46)
[INFO] Main: Simulation completed successfully. (00:01:48)
|
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 | 2.8759 | |
| 2 | F | A | 1.0570 | |
| 3 | K | A | -1.1895 | |
| 4 | G | A | -1.1048 | |
| 5 | H | A | -0.2431 | |
| 6 | F | A | 2.2394 | |
| 7 | F | A | 2.9554 | |
| 1 | F | B | 1.9042 | |
| 2 | F | B | 0.0000 | |
| 3 | K | B | -1.6950 | |
| 4 | G | B | -1.3932 | |
| 5 | H | B | -0.5265 | |
| 6 | F | B | 1.9707 | |
| 7 | F | B | 3.0370 | |
| 1 | F | C | 1.5869 | |
| 2 | F | C | 0.0000 | |
| 3 | K | C | -1.3271 | |
| 4 | G | C | 0.0000 | |
| 5 | H | C | -0.0185 | |
| 6 | F | C | 2.4445 | |
| 7 | F | C | 3.4444 | |
| 1 | F | D | 3.5794 | |
| 2 | F | D | 0.0000 | |
| 3 | K | D | -0.7228 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | 0.1559 | |
| 6 | F | D | 2.4266 | |
| 7 | F | D | 3.6589 | |
| 1 | F | E | 2.4414 | |
| 2 | F | E | 1.4001 | |
| 3 | K | E | -0.8218 | |
| 4 | G | E | -0.8358 | |
| 5 | H | E | -0.4378 | |
| 6 | F | E | 2.0349 | |
| 7 | F | E | 2.7615 | |
| 1 | F | F | 2.8654 | |
| 2 | F | F | 0.0000 | |
| 3 | K | F | -0.9194 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | 0.0570 | |
| 6 | F | F | 0.0000 | |
| 7 | F | F | 3.5768 | |
| 1 | F | G | 2.7291 | |
| 2 | F | G | 0.8513 | |
| 3 | K | G | -1.4483 | |
| 4 | G | G | -1.4647 | |
| 5 | H | G | -0.5984 | |
| 6 | F | G | 1.6158 | |
| 7 | F | G | 2.9557 | |
| 1 | F | H | 0.2862 | |
| 2 | F | H | 0.0000 | |
| 3 | K | H | -0.8487 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | 1.3925 | |
| 6 | F | H | 3.0456 | |
| 7 | F | H | 3.2137 |