| Chain sequence(s) |
A: FFGHKFG
C: FFGHKFG B: FFGHKFG D: FFGHKFG input PDB |
| Selected Chain(s) | A,C,B,D |
| 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 (00:00:01)
[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 (00:00:59)
[INFO] Main: Simulation completed successfully. (00:00:59)
|
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 | 3.1594 | |
| 2 | F | A | 3.2151 | |
| 3 | G | A | 0.7689 | |
| 4 | H | A | -0.6658 | |
| 5 | K | A | -1.1825 | |
| 6 | F | A | 0.5897 | |
| 7 | G | A | -0.1161 | |
| 1 | F | B | 3.2378 | |
| 2 | F | B | 3.4820 | |
| 3 | G | B | 1.1515 | |
| 4 | H | B | -0.2679 | |
| 5 | K | B | -1.2353 | |
| 6 | F | B | -0.0685 | |
| 7 | G | B | -0.4369 | |
| 1 | F | C | 3.5796 | |
| 2 | F | C | 3.5973 | |
| 3 | G | C | 0.0000 | |
| 4 | H | C | -0.2716 | |
| 5 | K | C | -1.2522 | |
| 6 | F | C | -0.0800 | |
| 7 | G | C | -0.5731 | |
| 1 | F | D | 3.2866 | |
| 2 | F | D | 3.2477 | |
| 3 | G | D | 0.7491 | |
| 4 | H | D | -0.9232 | |
| 5 | K | D | -1.5246 | |
| 6 | F | D | -0.0271 | |
| 7 | G | D | -0.3779 |