| Chain sequence(s) |
A: FGGHKGF
C: FGGHKGF B: FGGHKGF E: FGGHKGF D: FGGHKGF G: FGGHKGF F: FGGHKGF H: FGGHKGF 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 (00:01:11)
[INFO] Main: Simulation completed successfully. (00:01:13)
|
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 | 3.2038 | |
| 2 | G | A | 1.1264 | |
| 3 | G | A | -0.8533 | |
| 4 | H | A | 0.0000 | |
| 5 | K | A | -1.5263 | |
| 6 | G | A | 0.0000 | |
| 7 | F | A | 2.0741 | |
| 1 | F | B | 2.7399 | |
| 2 | G | B | 0.6700 | |
| 3 | G | B | -1.1463 | |
| 4 | H | B | -2.5594 | |
| 5 | K | B | -2.1492 | |
| 6 | G | B | 0.0682 | |
| 7 | F | B | 1.8915 | |
| 1 | F | C | 2.2392 | |
| 2 | G | C | 0.3683 | |
| 3 | G | C | -1.2561 | |
| 4 | H | C | -2.2035 | |
| 5 | K | C | -2.0345 | |
| 6 | G | C | 0.0000 | |
| 7 | F | C | 2.5650 | |
| 1 | F | D | 2.1653 | |
| 2 | G | D | 0.9017 | |
| 3 | G | D | -0.7496 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | -1.5299 | |
| 6 | G | D | 0.0000 | |
| 7 | F | D | 1.8206 | |
| 1 | F | E | 2.5354 | |
| 2 | G | E | 0.6616 | |
| 3 | G | E | -1.1655 | |
| 4 | H | E | -2.1053 | |
| 5 | K | E | -2.0708 | |
| 6 | G | E | 0.5525 | |
| 7 | F | E | 2.3753 | |
| 1 | F | F | 2.4597 | |
| 2 | G | F | 0.4503 | |
| 3 | G | F | -1.3237 | |
| 4 | H | F | -2.8810 | |
| 5 | K | F | -2.2956 | |
| 6 | G | F | -0.0524 | |
| 7 | F | F | 1.8682 | |
| 1 | F | G | 2.5874 | |
| 2 | G | G | 1.0441 | |
| 3 | G | G | -0.9669 | |
| 4 | H | G | 0.0000 | |
| 5 | K | G | -1.6498 | |
| 6 | G | G | 0.0000 | |
| 7 | F | G | 2.2907 | |
| 1 | F | H | 3.0697 | |
| 2 | G | H | 1.3608 | |
| 3 | G | H | -0.6563 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | -1.5010 | |
| 6 | G | H | 0.0000 | |
| 7 | F | H | 2.3912 |