| Chain sequence(s) |
A: FYGHKYF
C: FYGHKYF B: FYGHKYF E: FYGHKYF D: FYGHKYF G: FYGHKYF F: FYGHKYF H: FYGHKYF 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 (00:00:52)
[INFO] Main: Simulation completed successfully. (00:00:54)
|
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 | 3.9485 | |
| 2 | Y | A | 3.2080 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | 0.0000 | |
| 5 | K | A | 0.3728 | |
| 6 | Y | A | 0.0000 | |
| 7 | F | A | 3.5130 | |
| 1 | F | B | 3.3463 | |
| 2 | Y | B | 2.8914 | |
| 3 | G | B | 1.2051 | |
| 4 | H | B | 0.2311 | |
| 5 | K | B | 0.1764 | |
| 6 | Y | B | 1.5459 | |
| 7 | F | B | 2.9415 | |
| 1 | F | C | 2.9142 | |
| 2 | Y | C | 2.4961 | |
| 3 | G | C | 0.8894 | |
| 4 | H | C | 0.0494 | |
| 5 | K | C | 0.5180 | |
| 6 | Y | C | 2.2130 | |
| 7 | F | C | 3.2874 | |
| 1 | F | D | 2.5426 | |
| 2 | Y | D | 2.2040 | |
| 3 | G | D | 0.0000 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | 0.5074 | |
| 6 | Y | D | 2.1302 | |
| 7 | F | D | 3.7467 | |
| 1 | F | E | 2.4898 | |
| 2 | Y | E | 2.0330 | |
| 3 | G | E | 0.0000 | |
| 4 | H | E | 0.0000 | |
| 5 | K | E | 0.0233 | |
| 6 | Y | E | 1.7453 | |
| 7 | F | E | 3.3834 | |
| 1 | F | F | 2.8550 | |
| 2 | Y | F | 2.1516 | |
| 3 | G | F | 0.7088 | |
| 4 | H | F | -0.4802 | |
| 5 | K | F | -0.8361 | |
| 6 | Y | F | 1.0201 | |
| 7 | F | F | 2.6506 | |
| 1 | F | G | 3.1259 | |
| 2 | Y | G | 2.4323 | |
| 3 | G | G | 0.7859 | |
| 4 | H | G | -0.6895 | |
| 5 | K | G | -1.0035 | |
| 6 | Y | G | 0.7930 | |
| 7 | F | G | 2.5584 | |
| 1 | F | H | 3.1296 | |
| 2 | Y | H | 2.7966 | |
| 3 | G | H | 0.0000 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | 0.0196 | |
| 6 | Y | H | 0.0000 | |
| 7 | F | H | 3.2655 |