| Chain sequence(s) |
A: FFKGHFF
C: FFKGHFF B: FFKGHFF E: FFKGHFF D: FFKGHFF G: FFKGHFF F: FFKGHFF H: FFKGHFF 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 (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:03)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:08)
[INFO] Main: Simulation completed successfully. (00:04:12)
|
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 | -0.0312 | |
| 2 | F | A | 0.4039 | |
| 3 | K | A | -0.8556 | |
| 4 | G | A | -0.1414 | |
| 5 | H | A | 0.2967 | |
| 6 | F | A | 2.8587 | |
| 7 | F | A | 3.0589 | |
| 1 | F | B | 1.4506 | |
| 2 | F | B | 0.0000 | |
| 3 | K | B | -0.3671 | |
| 4 | G | B | 0.0000 | |
| 5 | H | B | 0.4467 | |
| 6 | F | B | 3.0902 | |
| 7 | F | B | 3.4992 | |
| 1 | F | C | 1.1758 | |
| 2 | F | C | 0.0000 | |
| 3 | K | C | -1.4184 | |
| 4 | G | C | 0.0000 | |
| 5 | H | C | -0.2461 | |
| 6 | F | C | 1.9162 | |
| 7 | F | C | 2.5775 | |
| 1 | F | D | 1.5073 | |
| 2 | F | D | 0.8650 | |
| 3 | K | D | -1.4054 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | 0.2568 | |
| 6 | F | D | 2.1137 | |
| 7 | F | D | 2.7102 | |
| 1 | F | E | 1.3927 | |
| 2 | F | E | 0.0000 | |
| 3 | K | E | -0.0567 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | 0.9381 | |
| 6 | F | E | 2.7260 | |
| 7 | F | E | 2.9139 | |
| 1 | F | F | 1.1839 | |
| 2 | F | F | 0.0000 | |
| 3 | K | F | -0.7206 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | 0.1047 | |
| 6 | F | F | 1.8896 | |
| 7 | F | F | 2.4692 | |
| 1 | F | G | 1.3243 | |
| 2 | F | G | 0.0000 | |
| 3 | K | G | -0.9006 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | 0.1602 | |
| 6 | F | G | 2.8354 | |
| 7 | F | G | 3.2526 | |
| 1 | F | H | 1.5913 | |
| 2 | F | H | 0.6818 | |
| 3 | K | H | -1.0155 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -0.1062 | |
| 6 | F | H | 1.6259 | |
| 7 | F | H | 2.5591 |