| Chain sequence(s) |
A: KGHKGHG
C: KGHKGHG B: KGHKGHG E: KGHKGHG D: KGHKGHG G: KGHKGHG F: KGHKGHG H: KGHKGHG 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 (00:02:00)
[INFO] Main: Simulation completed successfully. (00:02:01)
|
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 | K | A | -2.7419 | |
| 2 | G | A | -2.5323 | |
| 3 | H | A | -2.9677 | |
| 4 | K | A | -2.9920 | |
| 5 | G | A | -2.5557 | |
| 6 | H | A | -2.4178 | |
| 7 | G | A | -1.5908 | |
| 1 | K | B | -2.6380 | |
| 2 | G | B | -2.3275 | |
| 3 | H | B | -2.5783 | |
| 4 | K | B | -2.7138 | |
| 5 | G | B | 0.0000 | |
| 6 | H | B | -1.9775 | |
| 7 | G | B | -1.2622 | |
| 1 | K | C | -3.2339 | |
| 2 | G | C | -2.6626 | |
| 3 | H | C | 0.0000 | |
| 4 | K | C | -2.5407 | |
| 5 | G | C | 0.0000 | |
| 6 | H | C | -1.8869 | |
| 7 | G | C | -1.4769 | |
| 1 | K | D | -3.3504 | |
| 2 | G | D | -2.9123 | |
| 3 | H | D | 0.0000 | |
| 4 | K | D | -2.8396 | |
| 5 | G | D | 0.0000 | |
| 6 | H | D | -1.9225 | |
| 7 | G | D | -1.5259 | |
| 1 | K | E | -2.8085 | |
| 2 | G | E | -2.8104 | |
| 3 | H | E | -3.1215 | |
| 4 | K | E | -3.2331 | |
| 5 | G | E | -2.5547 | |
| 6 | H | E | -1.9034 | |
| 7 | G | E | -1.3250 | |
| 1 | K | F | -2.6451 | |
| 2 | G | F | -2.5324 | |
| 3 | H | F | -2.6467 | |
| 4 | K | F | -3.2162 | |
| 5 | G | F | 0.0000 | |
| 6 | H | F | -2.0257 | |
| 7 | G | F | -1.3650 | |
| 1 | K | G | -3.0944 | |
| 2 | G | G | -2.6820 | |
| 3 | H | G | 0.0000 | |
| 4 | K | G | -2.6129 | |
| 5 | G | G | 0.0000 | |
| 6 | H | G | -2.0761 | |
| 7 | G | G | -1.5766 | |
| 1 | K | H | -3.2151 | |
| 2 | G | H | -2.8278 | |
| 3 | H | H | 0.0000 | |
| 4 | K | H | -2.9797 | |
| 5 | G | H | 0.0000 | |
| 6 | H | H | -2.1450 | |
| 7 | G | H | -1.6896 |