| Chain sequence(s) |
A: GGGHKGF
C: GGGHKGF B: GGGHKGF E: GGGHKGF D: GGGHKGF G: GGGHKGF F: GGGHKGF H: GGGHKGF 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 (00:02:52)
[INFO] Main: Simulation completed successfully. (00:02:54)
|
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 | -1.1701 | |
| 2 | G | A | -2.0188 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | -3.1769 | |
| 5 | K | A | -2.5292 | |
| 6 | G | A | -0.6184 | |
| 7 | F | A | 1.9572 | |
| 1 | G | B | -1.8345 | |
| 2 | G | B | 0.0000 | |
| 3 | G | B | -3.1003 | |
| 4 | H | B | -2.5428 | |
| 5 | K | B | -1.6303 | |
| 6 | G | B | -0.5389 | |
| 7 | F | B | 1.0678 | |
| 1 | G | C | -1.6315 | |
| 2 | G | C | 0.0000 | |
| 3 | G | C | 0.0000 | |
| 4 | H | C | -3.0695 | |
| 5 | K | C | -1.3710 | |
| 6 | G | C | 0.4265 | |
| 7 | F | C | 2.5750 | |
| 1 | G | D | -2.0465 | |
| 2 | G | D | -1.6035 | |
| 3 | G | D | -2.0948 | |
| 4 | H | D | -3.3413 | |
| 5 | K | D | -3.5618 | |
| 6 | G | D | 0.0000 | |
| 7 | F | D | -0.7026 | |
| 1 | G | E | -2.5981 | |
| 2 | G | E | -1.8815 | |
| 3 | G | E | -2.1275 | |
| 4 | H | E | -3.1467 | |
| 5 | K | E | -3.5942 | |
| 6 | G | E | -2.4430 | |
| 7 | F | E | -1.4700 | |
| 1 | G | F | -2.8839 | |
| 2 | G | F | 0.0000 | |
| 3 | G | F | -2.2923 | |
| 4 | H | F | -1.2838 | |
| 5 | K | F | 0.0000 | |
| 6 | G | F | 0.2191 | |
| 7 | F | F | 1.7597 | |
| 1 | G | G | -2.3845 | |
| 2 | G | G | -3.2262 | |
| 3 | G | G | -3.1730 | |
| 4 | H | G | -2.0058 | |
| 5 | K | G | -1.9132 | |
| 6 | G | G | -0.5100 | |
| 7 | F | G | 1.5309 | |
| 1 | G | H | -2.1229 | |
| 2 | G | H | -2.0449 | |
| 3 | G | H | -2.4908 | |
| 4 | H | H | -3.3152 | |
| 5 | K | H | -3.8057 | |
| 6 | G | H | 0.0000 | |
| 7 | F | H | -0.8364 |