| Chain sequence(s) |
A: GGHKGHK
C: GGHKGHK B: GGHKGHK E: GGHKGHK D: GGHKGHK G: GGHKGHK F: GGHKGHK H: GGHKGHK 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 (00:03:56)
[INFO] Main: Simulation completed successfully. (00:03:58)
|
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 | -1.1613 | |
| 2 | G | A | -2.0410 | |
| 3 | H | A | -2.3807 | |
| 4 | K | A | -2.9942 | |
| 5 | G | A | -2.6880 | |
| 6 | H | A | -3.0274 | |
| 7 | K | A | -3.1568 | |
| 1 | G | B | -1.2010 | |
| 2 | G | B | -1.9325 | |
| 3 | H | B | 0.0000 | |
| 4 | K | B | -2.3931 | |
| 5 | G | B | 0.0000 | |
| 6 | H | B | -3.0820 | |
| 7 | K | B | -3.6537 | |
| 1 | G | C | -1.2627 | |
| 2 | G | C | -2.0752 | |
| 3 | H | C | 0.0000 | |
| 4 | K | C | -2.7326 | |
| 5 | G | C | 0.0000 | |
| 6 | H | C | -3.1229 | |
| 7 | K | C | -3.6363 | |
| 1 | G | D | -1.1774 | |
| 2 | G | D | -1.7702 | |
| 3 | H | D | -2.5950 | |
| 4 | K | D | -2.7906 | |
| 5 | G | D | -2.7907 | |
| 6 | H | D | -2.7519 | |
| 7 | K | D | -3.0606 | |
| 1 | G | E | -1.0290 | |
| 2 | G | E | -1.6702 | |
| 3 | H | E | -2.1479 | |
| 4 | K | E | -2.6598 | |
| 5 | G | E | -2.7283 | |
| 6 | H | E | -2.8544 | |
| 7 | K | E | -3.0172 | |
| 1 | G | F | -1.1331 | |
| 2 | G | F | -1.7819 | |
| 3 | H | F | 0.0000 | |
| 4 | K | F | -2.4191 | |
| 5 | G | F | 0.0000 | |
| 6 | H | F | -2.9888 | |
| 7 | K | F | -3.4605 | |
| 1 | G | G | -1.3055 | |
| 2 | G | G | -2.1554 | |
| 3 | H | G | 0.0000 | |
| 4 | K | G | -3.0929 | |
| 5 | G | G | 0.0000 | |
| 6 | H | G | -3.2196 | |
| 7 | K | G | -3.2136 | |
| 1 | G | H | -1.2416 | |
| 2 | G | H | -2.1269 | |
| 3 | H | H | -2.5485 | |
| 4 | K | H | -3.1953 | |
| 5 | G | H | -2.6050 | |
| 6 | H | H | -2.9845 | |
| 7 | K | H | -2.9770 |