| Chain sequence(s) |
A: FQKGHQF
C: FQKGHQF B: FQKGHQF E: FQKGHQF D: FQKGHQF G: FQKGHQF F: FQKGHQF H: FQKGHQF 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 (00:03:00)
[INFO] Main: Simulation completed successfully. (00:03:02)
|
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 | 1.3372 | |
| 2 | Q | A | 0.0000 | |
| 3 | K | A | -1.9555 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -0.4269 | |
| 6 | Q | A | -0.2096 | |
| 7 | F | A | 2.2523 | |
| 1 | F | B | 1.9442 | |
| 2 | Q | B | 0.0000 | |
| 3 | K | B | -1.9282 | |
| 4 | G | B | 0.0000 | |
| 5 | H | B | -0.8879 | |
| 6 | Q | B | -0.4317 | |
| 7 | F | B | 2.0023 | |
| 1 | F | C | 1.1923 | |
| 2 | Q | C | -1.4273 | |
| 3 | K | C | -2.6616 | |
| 4 | G | C | -1.3718 | |
| 5 | H | C | -1.5523 | |
| 6 | Q | C | -1.2750 | |
| 7 | F | C | 1.2433 | |
| 1 | F | D | 1.8821 | |
| 2 | Q | D | -0.2814 | |
| 3 | K | D | -2.0016 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -1.8936 | |
| 6 | Q | D | -2.1038 | |
| 7 | F | D | 1.0918 | |
| 1 | F | E | 1.1789 | |
| 2 | Q | E | -1.0706 | |
| 3 | K | E | -1.0862 | |
| 4 | G | E | -1.1519 | |
| 5 | H | E | -1.4037 | |
| 6 | Q | E | -1.1239 | |
| 7 | F | E | 1.0578 | |
| 1 | F | F | 1.5528 | |
| 2 | Q | F | 0.7904 | |
| 3 | K | F | -0.4518 | |
| 4 | G | F | -0.9652 | |
| 5 | H | F | -0.9802 | |
| 6 | Q | F | -0.8224 | |
| 7 | F | F | 1.4467 | |
| 1 | F | G | -0.5691 | |
| 2 | Q | G | -1.8550 | |
| 3 | K | G | -2.1890 | |
| 4 | G | G | -1.5737 | |
| 5 | H | G | -0.9541 | |
| 6 | Q | G | -0.6613 | |
| 7 | F | G | 1.3096 | |
| 1 | F | H | 0.4923 | |
| 2 | Q | H | -1.4848 | |
| 3 | K | H | -2.8828 | |
| 4 | G | H | -2.3672 | |
| 5 | H | H | -2.4862 | |
| 6 | Q | H | -2.0262 | |
| 7 | F | H | 0.2320 |