| Chain sequence(s) |
A: FTGHKTF
C: FTGHKTF B: FTGHKTF E: FTGHKTF D: FTGHKTF G: FTGHKTF F: FTGHKTF H: FTGHKTF 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 (00:01:01)
[INFO] Main: Simulation completed successfully. (00:01:03)
|
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 | 2.9380 | |
| 2 | T | A | 1.3881 | |
| 3 | G | A | 0.1408 | |
| 4 | H | A | 0.0000 | |
| 5 | K | A | 0.0084 | |
| 6 | T | A | 1.2653 | |
| 7 | F | A | 3.2359 | |
| 1 | F | B | 2.4614 | |
| 2 | T | B | 0.9591 | |
| 3 | G | B | -0.1335 | |
| 4 | H | B | -1.0279 | |
| 5 | K | B | -0.5850 | |
| 6 | T | B | 0.7039 | |
| 7 | F | B | 2.5808 | |
| 1 | F | C | 2.1493 | |
| 2 | T | C | 0.7340 | |
| 3 | G | C | -0.4429 | |
| 4 | H | C | -1.4355 | |
| 5 | K | C | -1.2733 | |
| 6 | T | C | 0.3283 | |
| 7 | F | C | 2.3657 | |
| 1 | F | D | 2.3049 | |
| 2 | T | D | 1.0811 | |
| 3 | G | D | -0.0600 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | -0.4543 | |
| 6 | T | D | 0.8518 | |
| 7 | F | D | 2.9559 | |
| 1 | F | E | 2.2310 | |
| 2 | T | E | 1.2560 | |
| 3 | G | E | 0.2063 | |
| 4 | H | E | 0.0000 | |
| 5 | K | E | -0.1275 | |
| 6 | T | E | 0.9668 | |
| 7 | F | E | 2.7437 | |
| 1 | F | F | 2.2629 | |
| 2 | T | F | 1.0691 | |
| 3 | G | F | 0.0217 | |
| 4 | H | F | -0.8000 | |
| 5 | K | F | -0.2758 | |
| 6 | T | F | 0.6442 | |
| 7 | F | F | 2.4319 | |
| 1 | F | G | 2.0733 | |
| 2 | T | G | 0.8783 | |
| 3 | G | G | -0.3295 | |
| 4 | H | G | -1.2999 | |
| 5 | K | G | -0.9623 | |
| 6 | T | G | 0.3891 | |
| 7 | F | G | 2.4491 | |
| 1 | F | H | 2.0257 | |
| 2 | T | H | 1.2280 | |
| 3 | G | H | -0.0319 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | -0.3897 | |
| 6 | T | H | 1.0090 | |
| 7 | F | H | 3.0978 |