| Chain sequence(s) |
A: FEFEFEGGGKGH
B: FEFEFEGGGKGH input PDB |
| Selected Chain(s) | A,B |
| 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 (00:00:19)
[INFO] Main: Simulation completed successfully. (00:00:20)
|
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 | 1.4156 | |
| 2 | E | A | -0.4530 | |
| 3 | F | A | 1.0426 | |
| 4 | E | A | -1.3799 | |
| 5 | F | A | -0.4155 | |
| 6 | E | A | -2.7730 | |
| 7 | G | A | 0.0000 | |
| 8 | G | A | -2.5618 | |
| 9 | G | A | -2.4747 | |
| 10 | K | A | -2.9738 | |
| 11 | G | A | -1.8690 | |
| 12 | H | A | -1.5691 | |
| 1 | F | B | 1.4141 | |
| 2 | E | B | -0.2333 | |
| 3 | F | B | 1.2234 | |
| 4 | E | B | -1.0943 | |
| 5 | F | B | 0.1166 | |
| 6 | E | B | -2.6164 | |
| 7 | G | B | -2.8275 | |
| 8 | G | B | -2.9621 | |
| 9 | G | B | -3.0070 | |
| 10 | K | B | -3.0456 | |
| 11 | G | B | -1.9875 | |
| 12 | H | B | -1.7310 |