| Chain sequence(s) |
A: SGHKGHK
C: SGHKGHK B: SGHKGHK E: SGHKGHK D: SGHKGHK G: SGHKGHK F: SGHKGHK H: SGHKGHK 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 (00:02:02)
[INFO] Main: Simulation completed successfully. (00:02:04)
|
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 | S | A | -2.4838 | |
| 2 | G | A | -2.4782 | |
| 3 | H | A | -3.1813 | |
| 4 | K | A | -3.6185 | |
| 5 | G | A | -3.8271 | |
| 6 | H | A | -3.3326 | |
| 7 | K | A | -2.8319 | |
| 1 | S | B | 0.0000 | |
| 2 | G | B | 0.0000 | |
| 3 | H | B | -3.6965 | |
| 4 | K | B | -4.3418 | |
| 5 | G | B | 0.0000 | |
| 6 | H | B | -3.4478 | |
| 7 | K | B | -3.1711 | |
| 1 | S | C | -2.1288 | |
| 2 | G | C | -2.9866 | |
| 3 | H | C | -3.2315 | |
| 4 | K | C | -4.1766 | |
| 5 | G | C | -3.4057 | |
| 6 | H | C | -3.2297 | |
| 7 | K | C | -3.5240 | |
| 1 | S | D | -0.6780 | |
| 2 | G | D | -1.2389 | |
| 3 | H | D | -2.4293 | |
| 4 | K | D | 0.0000 | |
| 5 | G | D | 0.0000 | |
| 6 | H | D | -3.8313 | |
| 7 | K | D | -4.1126 | |
| 1 | S | E | -1.3075 | |
| 2 | G | E | -2.2647 | |
| 3 | H | E | -2.9386 | |
| 4 | K | E | -3.7781 | |
| 5 | G | E | 0.0000 | |
| 6 | H | E | -3.0095 | |
| 7 | K | E | -3.0481 | |
| 1 | S | F | -1.9741 | |
| 2 | G | F | 0.0000 | |
| 3 | H | F | -3.3559 | |
| 4 | K | F | -4.0313 | |
| 5 | G | F | -3.0318 | |
| 6 | H | F | 0.0000 | |
| 7 | K | F | -3.5561 | |
| 1 | S | G | -1.5554 | |
| 2 | G | G | -2.8869 | |
| 3 | H | G | -3.3069 | |
| 4 | K | G | -4.1067 | |
| 5 | G | G | -3.0668 | |
| 6 | H | G | -3.5400 | |
| 7 | K | G | -3.7313 | |
| 1 | S | H | -1.3716 | |
| 2 | G | H | -1.6531 | |
| 3 | H | H | -2.3055 | |
| 4 | K | H | -2.8263 | |
| 5 | G | H | -2.4789 | |
| 6 | H | H | -2.5948 | |
| 7 | K | H | -2.7724 |