| Chain sequence(s) |
A: GSGHKFF
C: GSGHKFF B: GSGHKFF E: GSGHKFF D: GSGHKFF G: GSGHKFF F: GSGHKFF H: GSGHKFF 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:13)
[INFO] Main: Simulation completed successfully. (00:01:16)
|
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 | G | A | -0.9821 | |
| 2 | S | A | -0.8868 | |
| 3 | G | A | -1.4016 | |
| 4 | H | A | -1.3457 | |
| 5 | K | A | -1.3709 | |
| 6 | F | A | 0.6796 | |
| 7 | F | A | 2.4382 | |
| 1 | G | B | -0.9641 | |
| 2 | S | B | -0.9366 | |
| 3 | G | B | -1.5632 | |
| 4 | H | B | -1.6069 | |
| 5 | K | B | -1.3503 | |
| 6 | F | B | 0.8339 | |
| 7 | F | B | 2.4814 | |
| 1 | G | C | -1.0968 | |
| 2 | S | C | -0.9831 | |
| 3 | G | C | -1.3262 | |
| 4 | H | C | 0.0000 | |
| 5 | K | C | -0.6533 | |
| 6 | F | C | 0.0000 | |
| 7 | F | C | 2.7055 | |
| 1 | G | D | -1.0848 | |
| 2 | S | D | -0.8564 | |
| 3 | G | D | -0.9670 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | -0.4600 | |
| 6 | F | D | 0.0000 | |
| 7 | F | D | 3.2234 | |
| 1 | G | E | -1.0793 | |
| 2 | S | E | -1.0462 | |
| 3 | G | E | -1.3831 | |
| 4 | H | E | 0.0000 | |
| 5 | K | E | -0.2875 | |
| 6 | F | E | 0.0000 | |
| 7 | F | E | 3.3307 | |
| 1 | G | F | -0.8793 | |
| 2 | S | F | -1.0549 | |
| 3 | G | F | -1.5129 | |
| 4 | H | F | -1.6466 | |
| 5 | K | F | -0.6979 | |
| 6 | F | F | 2.1873 | |
| 7 | F | F | 3.2713 | |
| 1 | G | G | -0.8793 | |
| 2 | S | G | -0.9250 | |
| 3 | G | G | -1.1648 | |
| 4 | H | G | -1.1605 | |
| 5 | K | G | -0.8483 | |
| 6 | F | G | 1.2020 | |
| 7 | F | G | 2.7175 | |
| 1 | G | H | -1.1073 | |
| 2 | S | H | -1.0431 | |
| 3 | G | H | -1.5035 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | -0.6288 | |
| 6 | F | H | 0.0000 | |
| 7 | F | H | 2.8157 |