| Chain sequence(s) |
A: FFGHKGG
C: FFGHKGG B: FFGHKGG E: FFGHKGG D: FFGHKGG G: FFGHKGG F: FFGHKGG H: FFGHKGG 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 (00:01:32)
[INFO] Main: Simulation completed successfully. (00:01:34)
|
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 | 2.4679 | |
| 2 | F | A | 3.1823 | |
| 3 | G | A | 0.7654 | |
| 4 | H | A | 0.0000 | |
| 5 | K | A | -2.6604 | |
| 6 | G | A | 0.0000 | |
| 7 | G | A | -1.5304 | |
| 1 | F | B | 3.0243 | |
| 2 | F | B | 3.1474 | |
| 3 | G | B | 0.5581 | |
| 4 | H | B | -0.6684 | |
| 5 | K | B | -2.4971 | |
| 6 | G | B | -1.9112 | |
| 7 | G | B | -1.0756 | |
| 1 | F | C | 2.8387 | |
| 2 | F | C | 3.0598 | |
| 3 | G | C | 0.5979 | |
| 4 | H | C | -0.5665 | |
| 5 | K | C | -2.3916 | |
| 6 | G | C | -1.8318 | |
| 7 | G | C | -1.0032 | |
| 1 | F | D | 2.5853 | |
| 2 | F | D | 2.8885 | |
| 3 | G | D | 0.7531 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | -2.6466 | |
| 6 | G | D | 0.0000 | |
| 7 | G | D | -1.4297 | |
| 1 | F | E | 2.3088 | |
| 2 | F | E | 2.5583 | |
| 3 | G | E | 0.4026 | |
| 4 | H | E | 0.0000 | |
| 5 | K | E | -2.6988 | |
| 6 | G | E | -1.8826 | |
| 7 | G | E | -1.4056 | |
| 1 | F | F | 1.9739 | |
| 2 | F | F | 2.5229 | |
| 3 | G | F | 0.2641 | |
| 4 | H | F | -1.1042 | |
| 5 | K | F | -2.6547 | |
| 6 | G | F | -1.8098 | |
| 7 | G | F | -1.2534 | |
| 1 | F | G | 1.6019 | |
| 2 | F | G | 2.5766 | |
| 3 | G | G | 0.4075 | |
| 4 | H | G | -0.8164 | |
| 5 | K | G | -2.4571 | |
| 6 | G | G | -1.5893 | |
| 7 | G | G | -1.1103 | |
| 1 | F | H | 1.9388 | |
| 2 | F | H | 3.0322 | |
| 3 | G | H | 0.6158 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | -2.6041 | |
| 6 | G | H | -1.7920 | |
| 7 | G | H | -1.3393 |