| Chain sequence(s) |
A: GSKGHFF
C: GSKGHFF B: GSKGHFF E: GSKGHFF D: GSKGHFF G: GSKGHFF F: GSKGHFF H: GSKGHFF 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 (00:01:43)
[INFO] Main: Simulation completed successfully. (00:01:45)
|
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 | -0.5592 | |
| 2 | S | A | 0.0000 | |
| 3 | K | A | -0.9513 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -0.6091 | |
| 6 | F | A | 0.0000 | |
| 7 | F | A | 1.3255 | |
| 1 | G | B | 0.1878 | |
| 2 | S | B | 0.0000 | |
| 3 | K | B | -0.5376 | |
| 4 | G | B | 0.0000 | |
| 5 | H | B | -1.0355 | |
| 6 | F | B | 0.0000 | |
| 7 | F | B | 1.0447 | |
| 1 | G | C | 0.3403 | |
| 2 | S | C | 0.0423 | |
| 3 | K | C | -1.5584 | |
| 4 | G | C | -1.5227 | |
| 5 | H | C | -1.5605 | |
| 6 | F | C | -0.4695 | |
| 7 | F | C | 0.7721 | |
| 1 | G | D | -0.7931 | |
| 2 | S | D | -1.2452 | |
| 3 | K | D | -2.6432 | |
| 4 | G | D | -1.9690 | |
| 5 | H | D | -1.1198 | |
| 6 | F | D | 1.0756 | |
| 7 | F | D | 2.2983 | |
| 1 | G | E | -0.6842 | |
| 2 | S | E | -0.9472 | |
| 3 | K | E | -2.1133 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -0.8233 | |
| 6 | F | E | 0.0000 | |
| 7 | F | E | 2.0437 | |
| 1 | G | F | -0.0137 | |
| 2 | S | F | 0.0000 | |
| 3 | K | F | 0.4260 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | -0.6769 | |
| 6 | F | F | 0.0000 | |
| 7 | F | F | -0.1251 | |
| 1 | G | G | -0.1052 | |
| 2 | S | G | 0.0866 | |
| 3 | K | G | -1.2476 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | -0.6481 | |
| 6 | F | G | -0.0156 | |
| 7 | F | G | 1.3410 | |
| 1 | G | H | -0.9003 | |
| 2 | S | H | -1.0775 | |
| 3 | K | H | -1.9577 | |
| 4 | G | H | -1.5191 | |
| 5 | H | H | -0.5468 | |
| 6 | F | H | 0.9193 | |
| 7 | F | H | 2.0385 |