| Chain sequence(s) |
A: FYGHKYF
C: FYGHKYF B: FYGHKYF E: FYGHKYF D: FYGHKYF G: FYGHKYF F: FYGHKYF H: FYGHKYF 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 (00:01:57)
[INFO] Main: Simulation completed successfully. (00:01:59)
|
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 | 2.5397 | |
| 2 | Y | A | 1.8850 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | -0.3189 | |
| 5 | K | A | -0.3090 | |
| 6 | Y | A | 1.0023 | |
| 7 | F | A | 1.5878 | |
| 1 | F | B | 1.8600 | |
| 2 | Y | B | 0.5644 | |
| 3 | G | B | 0.7729 | |
| 4 | H | B | 0.7655 | |
| 5 | K | B | 0.8182 | |
| 6 | Y | B | 2.6304 | |
| 7 | F | B | 2.7717 | |
| 1 | F | C | 2.0708 | |
| 2 | Y | C | 1.1643 | |
| 3 | G | C | 1.2809 | |
| 4 | H | C | 0.8311 | |
| 5 | K | C | 0.8762 | |
| 6 | Y | C | 2.4829 | |
| 7 | F | C | 1.9687 | |
| 1 | F | D | 1.8789 | |
| 2 | Y | D | 1.5398 | |
| 3 | G | D | 1.2792 | |
| 4 | H | D | 0.9663 | |
| 5 | K | D | 0.1216 | |
| 6 | Y | D | 2.6795 | |
| 7 | F | D | 3.5487 | |
| 1 | F | E | 2.1375 | |
| 2 | Y | E | 1.9320 | |
| 3 | G | E | 1.4476 | |
| 4 | H | E | 1.6677 | |
| 5 | K | E | 0.3396 | |
| 6 | Y | E | 2.2152 | |
| 7 | F | E | 2.7739 | |
| 1 | F | F | 3.1884 | |
| 2 | Y | F | 2.5215 | |
| 3 | G | F | 0.7700 | |
| 4 | H | F | -0.1946 | |
| 5 | K | F | -0.8057 | |
| 6 | Y | F | 1.2234 | |
| 7 | F | F | 1.7580 | |
| 1 | F | G | 2.5930 | |
| 2 | Y | G | 2.3280 | |
| 3 | G | G | 1.3165 | |
| 4 | H | G | -0.1070 | |
| 5 | K | G | 0.2188 | |
| 6 | Y | G | 1.7591 | |
| 7 | F | G | 2.9010 | |
| 1 | F | H | 2.4919 | |
| 2 | Y | H | 2.2836 | |
| 3 | G | H | 0.0000 | |
| 4 | H | H | -0.2755 | |
| 5 | K | H | -1.0041 | |
| 6 | Y | H | 1.1983 | |
| 7 | F | H | 1.9264 |