| Chain sequence(s) |
A: DAEFRHDSGYEVHHQKLVLLAEDVGSNKGAIIGLMVGGVVIA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LA20A,LA19A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.04592 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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 A 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] FoldX: Building mutant model (00:00:11)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:13)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:25)
[INFO] Main: Simulation completed successfully. (00:00:26)
|
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 | D | A | -2.7194 | |
| 2 | A | A | -2.4178 | |
| 3 | E | A | -2.5496 | |
| 4 | F | A | -0.9645 | |
| 5 | R | A | -2.7335 | |
| 6 | H | A | -3.0352 | |
| 7 | D | A | -2.5501 | |
| 8 | S | A | -1.2960 | |
| 9 | G | A | -0.5579 | |
| 10 | Y | A | -0.1686 | |
| 11 | E | A | -0.9670 | |
| 12 | V | A | 0.5090 | |
| 13 | H | A | -1.0270 | |
| 14 | H | A | -1.2803 | |
| 15 | Q | A | -1.3988 | |
| 16 | K | A | -1.5478 | |
| 17 | L | A | -0.4463 | |
| 18 | V | A | -0.9574 | |
| 19 | A | A | -0.8495 | mutated: LA19A |
| 20 | A | A | -0.5796 | mutated: LA20A |
| 21 | A | A | -0.6467 | |
| 22 | E | A | -1.9968 | |
| 23 | D | A | -2.1816 | |
| 24 | V | A | -0.7760 | |
| 25 | G | A | -1.3285 | |
| 26 | S | A | -1.7156 | |
| 27 | N | A | -2.0365 | |
| 28 | K | A | -1.6433 | |
| 29 | G | A | -0.1713 | |
| 30 | A | A | 0.3509 | |
| 31 | I | A | 2.3685 | |
| 32 | I | A | 3.2225 | |
| 33 | G | A | 2.3451 | |
| 34 | L | A | 3.0691 | |
| 35 | M | A | 3.4472 | |
| 36 | V | A | 2.9578 | |
| 37 | G | A | 1.9952 | |
| 38 | G | A | 1.8605 | |
| 39 | V | A | 3.0341 | |
| 40 | V | A | 3.8560 | |
| 41 | I | A | 3.4891 | |
| 42 | A | A | 1.8362 |