| Chain sequence(s) |
A: GGKGHGF
C: GGKGHGF B: GGKGHGF E: GGKGHGF D: GGKGHGF G: GGKGHGF F: GGKGHGF H: GGKGHGF 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 (00:04:57)
[INFO] Main: Simulation completed successfully. (00:04:58)
|
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 | G | A | -2.2881 | |
| 2 | G | A | -2.9285 | |
| 3 | K | A | -4.2351 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -1.5004 | |
| 6 | G | A | 0.4530 | |
| 7 | F | A | 2.5481 | |
| 1 | G | B | -2.0927 | |
| 2 | G | B | -2.9369 | |
| 3 | K | B | -4.1655 | |
| 4 | G | B | -2.5763 | |
| 5 | H | B | -1.5436 | |
| 6 | G | B | 0.6691 | |
| 7 | F | B | 2.8774 | |
| 1 | G | C | -1.7337 | |
| 2 | G | C | -2.7027 | |
| 3 | K | C | -3.5632 | |
| 4 | G | C | -2.1585 | |
| 5 | H | C | 0.0000 | |
| 6 | G | C | 0.4438 | |
| 7 | F | C | 0.0000 | |
| 1 | G | D | -2.0336 | |
| 2 | G | D | -2.2884 | |
| 3 | K | D | -3.3960 | |
| 4 | G | D | -1.4950 | |
| 5 | H | D | -0.8393 | |
| 6 | G | D | 0.0000 | |
| 7 | F | D | 2.8233 | |
| 1 | G | E | -1.9318 | |
| 2 | G | E | -2.6323 | |
| 3 | K | E | -3.4891 | |
| 4 | G | E | -2.9484 | |
| 5 | H | E | -2.0202 | |
| 6 | G | E | 0.0000 | |
| 7 | F | E | 1.6047 | |
| 1 | G | F | -1.6581 | |
| 2 | G | F | -2.3316 | |
| 3 | K | F | -3.5555 | |
| 4 | G | F | -2.6266 | |
| 5 | H | F | -1.1121 | |
| 6 | G | F | 0.5534 | |
| 7 | F | F | 0.0000 | |
| 1 | G | G | -2.0901 | |
| 2 | G | G | -2.5514 | |
| 3 | K | G | -3.6298 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | -0.6711 | |
| 6 | G | G | 0.0000 | |
| 7 | F | G | 0.0000 | |
| 1 | G | H | -2.4592 | |
| 2 | G | H | 0.0000 | |
| 3 | K | H | -3.5480 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -0.4004 | |
| 6 | G | H | 0.0000 | |
| 7 | F | H | 1.9135 |