| 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] (00:00:01)
[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 (00:05:15)
[INFO] Main: Simulation completed successfully. (00:05:17)
|
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 | 0.0000 | |
| 2 | H | A | -3.9380 | |
| 3 | K | A | -4.2948 | |
| 4 | G | A | -3.6144 | |
| 5 | H | A | -2.8229 | |
| 6 | K | A | -2.7018 | |
| 7 | G | A | -1.6057 | |
| 1 | G | B | -1.2842 | |
| 2 | H | B | -2.4990 | |
| 3 | K | B | -3.7251 | |
| 4 | G | B | 0.0000 | |
| 5 | H | B | -4.2468 | |
| 6 | K | B | -4.1785 | |
| 7 | G | B | -2.2266 | |
| 1 | G | C | -2.8005 | |
| 2 | H | C | -3.1925 | |
| 3 | K | C | -3.5587 | |
| 4 | G | C | -4.1779 | |
| 5 | H | C | -4.7276 | |
| 6 | K | C | -4.4083 | |
| 7 | G | C | -3.2579 | |
| 1 | G | D | -2.2483 | |
| 2 | H | D | -2.7956 | |
| 3 | K | D | -3.4407 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -4.0218 | |
| 6 | K | D | -4.5859 | |
| 7 | G | D | -3.7246 | |
| 1 | G | E | -5.0723 | |
| 2 | H | E | 0.0000 | |
| 3 | K | E | -4.3461 | |
| 4 | G | E | -2.6698 | |
| 5 | H | E | -2.6809 | |
| 6 | K | E | -3.1522 | |
| 7 | G | E | 0.0000 | |
| 1 | G | F | -3.3135 | |
| 2 | H | F | -4.0249 | |
| 3 | K | F | -5.3812 | |
| 4 | G | F | -5.6141 | |
| 5 | H | F | -5.0382 | |
| 6 | K | F | -4.4572 | |
| 7 | G | F | -3.3847 | |
| 1 | G | G | -2.7421 | |
| 2 | H | G | -4.2512 | |
| 3 | K | G | -5.3152 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | -5.1184 | |
| 6 | K | G | -4.1898 | |
| 7 | G | G | -1.8166 | |
| 1 | G | H | -2.5176 | |
| 2 | H | H | -3.2142 | |
| 3 | K | H | -4.6800 | |
| 4 | G | H | -4.4743 | |
| 5 | H | H | -4.0128 | |
| 6 | K | H | -3.8011 | |
| 7 | G | H | -2.5139 |