| Chain sequence(s) |
A: FFGHKGF
C: FFGHKGF B: FFGHKGF E: FFGHKGF D: FFGHKGF G: FFGHKGF F: FFGHKGF H: FFGHKGF 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 (00:01:35)
[INFO] Main: Simulation completed successfully. (00:01:36)
|
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 | 3.7692 | |
| 2 | F | A | 2.5702 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | 0.4381 | |
| 5 | K | A | -1.1571 | |
| 6 | G | A | 0.6416 | |
| 7 | F | A | 2.9765 | |
| 1 | F | B | 3.6328 | |
| 2 | F | B | 3.2484 | |
| 3 | G | B | 0.7635 | |
| 4 | H | B | 0.0561 | |
| 5 | K | B | -1.5956 | |
| 6 | G | B | 0.0268 | |
| 7 | F | B | 2.2137 | |
| 1 | F | C | 2.9524 | |
| 2 | F | C | 1.6596 | |
| 3 | G | C | 0.3330 | |
| 4 | H | C | -0.2879 | |
| 5 | K | C | -1.6657 | |
| 6 | G | C | 0.0316 | |
| 7 | F | C | 2.1741 | |
| 1 | F | D | 3.4511 | |
| 2 | F | D | 0.0000 | |
| 3 | G | D | 0.0000 | |
| 4 | H | D | 0.4204 | |
| 5 | K | D | -0.9432 | |
| 6 | G | D | 0.5979 | |
| 7 | F | D | 2.5908 | |
| 1 | F | E | 3.0162 | |
| 2 | F | E | 1.3248 | |
| 3 | G | E | 0.4473 | |
| 4 | H | E | 0.2549 | |
| 5 | K | E | -0.6506 | |
| 6 | G | E | 0.5095 | |
| 7 | F | E | 2.3407 | |
| 1 | F | F | 2.8170 | |
| 2 | F | F | 1.6496 | |
| 3 | G | F | 0.0755 | |
| 4 | H | F | -0.2545 | |
| 5 | K | F | -1.6689 | |
| 6 | G | F | 0.1317 | |
| 7 | F | F | 2.1154 | |
| 1 | F | G | 2.6993 | |
| 2 | F | G | 1.7666 | |
| 3 | G | G | 0.0000 | |
| 4 | H | G | 0.0000 | |
| 5 | K | G | -0.9955 | |
| 6 | G | G | 1.0386 | |
| 7 | F | G | 2.8634 | |
| 1 | F | H | 3.0953 | |
| 2 | F | H | 1.8978 | |
| 3 | G | H | 0.0000 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | -0.8134 | |
| 6 | G | H | 1.1702 | |
| 7 | F | H | 3.3419 |