| Chain sequence(s) |
A: GHKGHKS
C: GHKGHKS B: GHKGHKS E: GHKGHKS D: GHKGHKS G: GHKGHKS F: GHKGHKS H: GHKGHKS 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 (00:04:48)
[INFO] Main: Simulation completed successfully. (00:04:50)
|
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 | -1.7100 | |
| 2 | H | A | -2.1171 | |
| 3 | K | A | -2.6466 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | 0.0000 | |
| 6 | K | A | -2.2844 | |
| 7 | S | A | -1.2867 | |
| 1 | G | B | -1.5822 | |
| 2 | H | B | -1.8734 | |
| 3 | K | B | -2.3014 | |
| 4 | G | B | 0.0000 | |
| 5 | H | B | 0.0000 | |
| 6 | K | B | -2.0467 | |
| 7 | S | B | -1.2029 | |
| 1 | G | C | -1.7898 | |
| 2 | H | C | -2.5228 | |
| 3 | K | C | -3.1193 | |
| 4 | G | C | 0.0000 | |
| 5 | H | C | -3.2480 | |
| 6 | K | C | -2.8873 | |
| 7 | S | C | -1.6539 | |
| 1 | G | D | -1.8385 | |
| 2 | H | D | -2.7427 | |
| 3 | K | D | -3.7736 | |
| 4 | G | D | -3.2366 | |
| 5 | H | D | -3.3807 | |
| 6 | K | D | -3.3029 | |
| 7 | S | D | -1.6279 | |
| 1 | G | E | -1.6576 | |
| 2 | H | E | -2.2447 | |
| 3 | K | E | -3.3737 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -2.8559 | |
| 6 | K | E | -2.8787 | |
| 7 | S | E | -1.2913 | |
| 1 | G | F | -1.9848 | |
| 2 | H | F | -2.5974 | |
| 3 | K | F | -3.6689 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | 0.0000 | |
| 6 | K | F | -2.6495 | |
| 7 | S | F | -1.5596 | |
| 1 | G | G | -1.6052 | |
| 2 | H | G | -2.5559 | |
| 3 | K | G | -3.0438 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | -2.5988 | |
| 6 | K | G | -2.6994 | |
| 7 | S | G | -1.4719 | |
| 1 | G | H | -1.6069 | |
| 2 | H | H | -2.5820 | |
| 3 | K | H | -3.1020 | |
| 4 | G | H | -2.5404 | |
| 5 | H | H | -2.4405 | |
| 6 | K | H | -2.1455 | |
| 7 | S | H | -1.1274 |