| Chain sequence(s) |
A: FGGHKGF
C: FGGHKGF B: FGGHKGF E: FGGHKGF D: FGGHKGF G: FGGHKGF F: FGGHKGF H: FGGHKGF 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] (00:00:01)
[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 (00:08:14)
[INFO] Main: Simulation completed successfully. (00:08:16)
|
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 | 2.3297 | |
| 2 | G | A | 0.0000 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | -1.5236 | |
| 5 | K | A | -0.7420 | |
| 6 | G | A | 1.8986 | |
| 7 | F | A | 4.7654 | |
| 1 | F | B | 2.2796 | |
| 2 | G | B | -0.5518 | |
| 3 | G | B | -2.0453 | |
| 4 | H | B | -1.7180 | |
| 5 | K | B | -0.9517 | |
| 6 | G | B | 0.0000 | |
| 7 | F | B | 4.8985 | |
| 1 | F | C | 2.9287 | |
| 2 | G | C | 0.0000 | |
| 3 | G | C | -1.8262 | |
| 4 | H | C | -2.0048 | |
| 5 | K | C | -1.6244 | |
| 6 | G | C | 0.0000 | |
| 7 | F | C | 4.2025 | |
| 1 | F | D | 3.6279 | |
| 2 | G | D | 1.7847 | |
| 3 | G | D | -0.0912 | |
| 4 | H | D | -1.8978 | |
| 5 | K | D | -2.5455 | |
| 6 | G | D | -1.4713 | |
| 7 | F | D | 0.7447 | |
| 1 | F | E | 3.5156 | |
| 2 | G | E | 2.8520 | |
| 3 | G | E | 1.0568 | |
| 4 | H | E | -0.9789 | |
| 5 | K | E | -2.7832 | |
| 6 | G | E | -1.9332 | |
| 7 | F | E | -0.2555 | |
| 1 | F | F | 3.6682 | |
| 2 | G | F | 0.0000 | |
| 3 | G | F | 0.0000 | |
| 4 | H | F | -2.7169 | |
| 5 | K | F | -2.6584 | |
| 6 | G | F | 0.0000 | |
| 7 | F | F | 2.7675 | |
| 1 | F | G | 2.9777 | |
| 2 | G | G | -0.6143 | |
| 3 | G | G | 0.0000 | |
| 4 | H | G | -3.0222 | |
| 5 | K | G | -1.0542 | |
| 6 | G | G | 1.8553 | |
| 7 | F | G | 2.8299 | |
| 1 | F | H | 3.3471 | |
| 2 | G | H | 0.1743 | |
| 3 | G | H | -1.7503 | |
| 4 | H | H | -2.4016 | |
| 5 | K | H | -1.9989 | |
| 6 | G | H | 0.5601 | |
| 7 | F | H | 2.5327 |