| Chain sequence(s) |
A: FEFEFEGSKGH
C: FEFEFEGSKGH B: FEFEFEGSKGH E: FEFEFEGSKGH D: FEFEFEGSKGH G: FEFEFEGSKGH F: FEFEFEGSKGH H: FEFEFEGSKGH 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 (00:04:17)
[INFO] Main: Simulation completed successfully. (00:04:20)
|
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 | -0.9946 | |
| 2 | E | A | -2.9182 | |
| 3 | F | A | 0.0000 | |
| 4 | E | A | -3.5574 | |
| 5 | F | A | 0.0000 | |
| 6 | E | A | -4.0512 | |
| 7 | G | A | -2.9681 | |
| 8 | S | A | -2.7679 | |
| 9 | K | A | 0.0000 | |
| 10 | G | A | -1.9695 | |
| 11 | H | A | -1.4664 | |
| 1 | F | B | -1.6406 | |
| 2 | E | B | -3.2466 | |
| 3 | F | B | 0.0000 | |
| 4 | E | B | -3.6265 | |
| 5 | F | B | 0.0000 | |
| 6 | E | B | -4.0421 | |
| 7 | G | B | -2.9265 | |
| 8 | S | B | -2.7185 | |
| 9 | K | B | 0.0000 | |
| 10 | G | B | -1.6629 | |
| 11 | H | B | -1.0409 | |
| 1 | F | C | 0.8704 | |
| 2 | E | C | -1.7002 | |
| 3 | F | C | -1.4978 | |
| 4 | E | C | -3.0391 | |
| 5 | F | C | -2.2466 | |
| 6 | E | C | -3.3622 | |
| 7 | G | C | -1.9976 | |
| 8 | S | C | -2.2791 | |
| 9 | K | C | -2.4116 | |
| 10 | G | C | -2.3411 | |
| 11 | H | C | -1.8619 | |
| 1 | F | D | 0.2100 | |
| 2 | E | D | -1.9660 | |
| 3 | F | D | -1.5265 | |
| 4 | E | D | -2.9590 | |
| 5 | F | D | -2.2754 | |
| 6 | E | D | -3.3958 | |
| 7 | G | D | -2.3242 | |
| 8 | S | D | -2.5577 | |
| 9 | K | D | -3.0101 | |
| 10 | G | D | -2.4751 | |
| 11 | H | D | -1.9140 | |
| 1 | F | E | -1.4476 | |
| 2 | E | E | -3.2254 | |
| 3 | F | E | 0.0000 | |
| 4 | E | E | -3.6662 | |
| 5 | F | E | 0.0000 | |
| 6 | E | E | -4.1519 | |
| 7 | G | E | -2.9968 | |
| 8 | S | E | -2.7183 | |
| 9 | K | E | 0.0000 | |
| 10 | G | E | -1.8372 | |
| 11 | H | E | -1.2968 | |
| 1 | F | F | -1.2136 | |
| 2 | E | F | -2.9990 | |
| 3 | F | F | 0.0000 | |
| 4 | E | F | -3.5826 | |
| 5 | F | F | 0.0000 | |
| 6 | E | F | -4.2129 | |
| 7 | G | F | -3.0100 | |
| 8 | S | F | -2.7231 | |
| 9 | K | F | 0.0000 | |
| 10 | G | F | -1.8881 | |
| 11 | H | F | -1.3804 | |
| 1 | F | G | 0.0705 | |
| 2 | E | G | -1.9884 | |
| 3 | F | G | -1.5276 | |
| 4 | E | G | -2.9828 | |
| 5 | F | G | -2.3036 | |
| 6 | E | G | -3.4213 | |
| 7 | G | G | -2.1921 | |
| 8 | S | G | -2.3035 | |
| 9 | K | G | -2.4607 | |
| 10 | G | G | -2.1833 | |
| 11 | H | G | -1.7502 | |
| 1 | F | H | 0.3962 | |
| 2 | E | H | -1.9205 | |
| 3 | F | H | -1.4906 | |
| 4 | E | H | -2.9853 | |
| 5 | F | H | -2.2393 | |
| 6 | E | H | -3.3511 | |
| 7 | G | H | -2.1628 | |
| 8 | S | H | -2.2364 | |
| 9 | K | H | -2.3099 | |
| 10 | G | H | -2.0707 | |
| 11 | H | H | -1.5332 |