| Chain sequence(s) |
A: FFKGHGF
C: FFKGHGF B: FFKGHGF E: FFKGHGF D: FFKGHGF G: FFKGHGF F: FFKGHGF H: FFKGHGF 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 (00:01:24)
[INFO] Main: Simulation completed successfully. (00:01:26)
|
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 | F | A | 2.5589 | |
| 2 | F | A | 1.0259 | |
| 3 | K | A | -1.0739 | |
| 4 | G | A | -1.7733 | |
| 5 | H | A | -1.8327 | |
| 6 | G | A | -0.6856 | |
| 7 | F | A | 1.4182 | |
| 1 | F | B | 2.4396 | |
| 2 | F | B | 0.9565 | |
| 3 | K | B | -1.4192 | |
| 4 | G | B | -2.0097 | |
| 5 | H | B | -1.4919 | |
| 6 | G | B | -0.5277 | |
| 7 | F | B | 1.3791 | |
| 1 | F | C | 1.9414 | |
| 2 | F | C | -0.1548 | |
| 3 | K | C | -1.4794 | |
| 4 | G | C | -1.9510 | |
| 5 | H | C | -1.6119 | |
| 6 | G | C | -0.4882 | |
| 7 | F | C | 1.3015 | |
| 1 | F | D | 1.5656 | |
| 2 | F | D | 0.2517 | |
| 3 | K | D | -2.0690 | |
| 4 | G | D | -1.5435 | |
| 5 | H | D | -1.4432 | |
| 6 | G | D | -0.5738 | |
| 7 | F | D | 1.4175 | |
| 1 | F | E | 1.6212 | |
| 2 | F | E | 1.1635 | |
| 3 | K | E | -0.7381 | |
| 4 | G | E | -1.3285 | |
| 5 | H | E | -1.6347 | |
| 6 | G | E | -0.2951 | |
| 7 | F | E | 1.4737 | |
| 1 | F | F | 2.0317 | |
| 2 | F | F | 1.1174 | |
| 3 | K | F | -0.7489 | |
| 4 | G | F | -1.6199 | |
| 5 | H | F | -1.4579 | |
| 6 | G | F | -0.1677 | |
| 7 | F | F | 1.7646 | |
| 1 | F | G | 2.3739 | |
| 2 | F | G | 1.5945 | |
| 3 | K | G | -0.5804 | |
| 4 | G | G | -0.9813 | |
| 5 | H | G | -1.4697 | |
| 6 | G | G | -0.1278 | |
| 7 | F | G | 1.7994 | |
| 1 | F | H | 2.6225 | |
| 2 | F | H | 2.2232 | |
| 3 | K | H | 0.3106 | |
| 4 | G | H | -0.1773 | |
| 5 | H | H | -0.8426 | |
| 6 | G | H | -0.1991 | |
| 7 | F | H | 1.6169 |