| Chain sequence(s) |
A: FFKGHGF
C: FFKGHGF B: FFKGHGF E: FFKGHGF D: FFKGHGF G: FFKGHGF F: FFKGHGF H: FFKGHGF 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 (00:01:27)
[INFO] Main: Simulation completed successfully. (00:01:29)
|
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 | 3.7898 | |
| 2 | F | A | 0.0000 | |
| 3 | K | A | -0.1600 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -0.0314 | |
| 6 | G | A | 0.0000 | |
| 7 | F | A | 3.9216 | |
| 1 | F | B | 3.5970 | |
| 2 | F | B | 2.9351 | |
| 3 | K | B | 0.0872 | |
| 4 | G | B | -0.9943 | |
| 5 | H | B | -0.6274 | |
| 6 | G | B | 1.0043 | |
| 7 | F | B | 2.8130 | |
| 1 | F | C | 3.5237 | |
| 2 | F | C | 1.6632 | |
| 3 | K | C | -1.2682 | |
| 4 | G | C | -1.6020 | |
| 5 | H | C | -0.9959 | |
| 6 | G | C | 1.9669 | |
| 7 | F | C | 3.8707 | |
| 1 | F | D | 3.4496 | |
| 2 | F | D | 0.0000 | |
| 3 | K | D | -1.0826 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -0.6817 | |
| 6 | G | D | 0.0000 | |
| 7 | F | D | 3.8733 | |
| 1 | F | E | 3.2937 | |
| 2 | F | E | 0.0000 | |
| 3 | K | E | -1.8312 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -1.0364 | |
| 6 | G | E | 0.0000 | |
| 7 | F | E | 3.5173 | |
| 1 | F | F | 3.1220 | |
| 2 | F | F | 1.5138 | |
| 3 | K | F | -1.3480 | |
| 4 | G | F | -1.7775 | |
| 5 | H | F | -1.1675 | |
| 6 | G | F | 0.8886 | |
| 7 | F | F | 3.1425 | |
| 1 | F | G | 3.2517 | |
| 2 | F | G | 0.0000 | |
| 3 | K | G | -0.9031 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | -0.3528 | |
| 6 | G | G | 0.0000 | |
| 7 | F | G | 3.9561 | |
| 1 | F | H | 3.1708 | |
| 2 | F | H | 0.0000 | |
| 3 | K | H | -0.8382 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -0.0153 | |
| 6 | G | H | 0.0000 | |
| 7 | F | H | 4.6138 |