| Chain sequence(s) |
A: FKFEKGH
C: FKFEKGH B: FKFEKGH E: FKFEKGH D: FKFEKGH G: FKFEKGH F: FKFEKGH H: FKFEKGH 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:30)
[INFO] Main: Simulation completed successfully. (00:11:32)
|
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 | -0.8243 | |
| 2 | K | A | -1.5087 | |
| 3 | F | A | -0.7782 | |
| 4 | E | A | -3.2289 | |
| 5 | K | A | -3.3510 | |
| 6 | G | A | -3.1665 | |
| 7 | H | A | -3.0931 | |
| 1 | F | B | -0.0317 | |
| 2 | K | B | -3.3011 | |
| 3 | F | B | -2.5254 | |
| 4 | E | B | -4.9779 | |
| 5 | K | B | -4.5323 | |
| 6 | G | B | -3.9571 | |
| 7 | H | B | -3.3762 | |
| 1 | F | C | -0.4776 | |
| 2 | K | C | -3.7026 | |
| 3 | F | C | 0.0000 | |
| 4 | E | C | -5.0485 | |
| 5 | K | C | 0.0000 | |
| 6 | G | C | 0.0000 | |
| 7 | H | C | -3.1839 | |
| 1 | F | D | -0.5845 | |
| 2 | K | D | -2.4718 | |
| 3 | F | D | -2.3250 | |
| 4 | E | D | -3.4636 | |
| 5 | K | D | -4.1405 | |
| 6 | G | D | -3.2851 | |
| 7 | H | D | -3.2046 | |
| 1 | F | E | 0.0000 | |
| 2 | K | E | -1.7273 | |
| 3 | F | E | -0.4833 | |
| 4 | E | E | -1.9817 | |
| 5 | K | E | -2.7374 | |
| 6 | G | E | -2.7111 | |
| 7 | H | E | -2.2425 | |
| 1 | F | F | -1.0162 | |
| 2 | K | F | -2.9366 | |
| 3 | F | F | 0.0000 | |
| 4 | E | F | -4.0981 | |
| 5 | K | F | -3.2587 | |
| 6 | G | F | 0.0000 | |
| 7 | H | F | -2.0047 | |
| 1 | F | G | -0.2817 | |
| 2 | K | G | -2.7579 | |
| 3 | F | G | -2.5606 | |
| 4 | E | G | -3.4237 | |
| 5 | K | G | 0.0000 | |
| 6 | G | G | -2.3917 | |
| 7 | H | G | -2.6699 | |
| 1 | F | H | 0.8106 | |
| 2 | K | H | -1.9772 | |
| 3 | F | H | 0.0000 | |
| 4 | E | H | -3.5404 | |
| 5 | K | H | 0.0000 | |
| 6 | G | H | -2.6372 | |
| 7 | H | H | -2.7677 |