| Chain sequence(s) |
A: GHKGHKG
C: GHKGHKG B: GHKGHKG E: GHKGHKG D: GHKGHKG G: GHKGHKG F: GHKGHKG H: GHKGHKG 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 (00:02:51)
[INFO] Main: Simulation completed successfully. (00:02:53)
|
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 | -1.7259 | |
| 2 | H | A | -2.9026 | |
| 3 | K | A | -3.3232 | |
| 4 | G | A | -2.4495 | |
| 5 | H | A | -2.1615 | |
| 6 | K | A | -2.0115 | |
| 7 | G | A | -1.3664 | |
| 1 | G | B | -1.7151 | |
| 2 | H | B | -2.9180 | |
| 3 | K | B | -3.3282 | |
| 4 | G | B | -2.4859 | |
| 5 | H | B | -2.7386 | |
| 6 | K | B | -2.5278 | |
| 7 | G | B | -1.6499 | |
| 1 | G | C | -1.9462 | |
| 2 | H | C | -2.8852 | |
| 3 | K | C | -3.1525 | |
| 4 | G | C | 0.0000 | |
| 5 | H | C | -2.5128 | |
| 6 | K | C | 0.0000 | |
| 7 | G | C | -1.7407 | |
| 1 | G | D | -1.9654 | |
| 2 | H | D | -2.7050 | |
| 3 | K | D | -3.3775 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -2.8821 | |
| 6 | K | D | -2.4138 | |
| 7 | G | D | -1.7829 | |
| 1 | G | E | -1.7111 | |
| 2 | H | E | -2.5181 | |
| 3 | K | E | -3.6748 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -3.1899 | |
| 6 | K | E | -3.3532 | |
| 7 | G | E | -1.9550 | |
| 1 | G | F | -1.9218 | |
| 2 | H | F | -2.9182 | |
| 3 | K | F | -3.9354 | |
| 4 | G | F | -3.2260 | |
| 5 | H | F | -3.3922 | |
| 6 | K | F | -3.5759 | |
| 7 | G | F | -2.0311 | |
| 1 | G | G | -2.1612 | |
| 2 | H | G | -3.1614 | |
| 3 | K | G | -3.9292 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | -3.3082 | |
| 6 | K | G | 0.0000 | |
| 7 | G | G | -1.9931 | |
| 1 | G | H | -2.0146 | |
| 2 | H | H | -3.0046 | |
| 3 | K | H | -3.2971 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -2.3473 | |
| 6 | K | H | -1.8700 | |
| 7 | G | H | -1.4871 |