| Chain sequence(s) |
A: FEKGHFEF
C: FEKGHFEF B: FEKGHFEF E: FEKGHFEF D: FEKGHFEF G: FEKGHFEF F: FEKGHFEF H: FEKGHFEF 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 (00:03:09)
[INFO] Main: Simulation completed successfully. (00:03:11)
|
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 | 0.6827 | |
| 2 | E | A | -1.3981 | |
| 3 | K | A | -2.3978 | |
| 4 | G | A | -1.1945 | |
| 5 | H | A | -1.5176 | |
| 6 | F | A | -0.4606 | |
| 7 | E | A | -0.5683 | |
| 8 | F | A | 1.0050 | |
| 1 | F | B | 0.9123 | |
| 2 | E | B | -0.8426 | |
| 3 | K | B | -1.7322 | |
| 4 | G | B | 0.0000 | |
| 5 | H | B | -2.3318 | |
| 6 | F | B | -1.6925 | |
| 7 | E | B | -2.0141 | |
| 8 | F | B | 0.5271 | |
| 1 | F | C | 0.6476 | |
| 2 | E | C | -1.6452 | |
| 3 | K | C | -2.5973 | |
| 4 | G | C | 0.0000 | |
| 5 | H | C | -2.1923 | |
| 6 | F | C | 0.0000 | |
| 7 | E | C | -1.4229 | |
| 8 | F | C | 0.0990 | |
| 1 | F | D | 0.9529 | |
| 2 | E | D | -1.1530 | |
| 3 | K | D | -1.8861 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -2.5524 | |
| 6 | F | D | -2.1174 | |
| 7 | E | D | -2.4009 | |
| 8 | F | D | -0.1013 | |
| 1 | F | E | 0.6690 | |
| 2 | E | E | -1.2946 | |
| 3 | K | E | -2.1833 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -2.0087 | |
| 6 | F | E | 0.0000 | |
| 7 | E | E | -1.4948 | |
| 8 | F | E | 0.7198 | |
| 1 | F | F | 0.8714 | |
| 2 | E | F | -1.3505 | |
| 3 | K | F | -2.5444 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | -2.2964 | |
| 6 | F | F | -1.4478 | |
| 7 | E | F | -1.6420 | |
| 8 | F | F | 0.6430 | |
| 1 | F | G | 0.1556 | |
| 2 | E | G | -1.8735 | |
| 3 | K | G | -3.0371 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | -1.6715 | |
| 6 | F | G | -0.4843 | |
| 7 | E | G | -0.5586 | |
| 8 | F | G | 1.1174 | |
| 1 | F | H | 1.0502 | |
| 2 | E | H | -0.8267 | |
| 3 | K | H | -1.2832 | |
| 4 | G | H | -1.2744 | |
| 5 | H | H | -2.6493 | |
| 6 | F | H | 0.0000 | |
| 7 | E | H | -3.5206 | |
| 8 | F | H | -1.6838 |