| Chain sequence(s) |
A: GGGHKGF
C: GGGHKGF B: GGGHKGF E: GGGHKGF D: GGGHKGF G: GGGHKGF F: GGGHKGF H: GGGHKGF 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 (00:01:10)
[INFO] Main: Simulation completed successfully. (00:01:12)
|
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 | -1.0672 | |
| 2 | G | A | -1.3545 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | -2.3551 | |
| 5 | K | A | -1.2507 | |
| 6 | G | A | 0.1839 | |
| 7 | F | A | 1.9746 | |
| 1 | G | B | -1.1288 | |
| 2 | G | B | -1.5090 | |
| 3 | G | B | -2.0488 | |
| 4 | H | B | -2.5272 | |
| 5 | K | B | -1.8993 | |
| 6 | G | B | -0.1710 | |
| 7 | F | B | 1.9844 | |
| 1 | G | C | -0.9957 | |
| 2 | G | C | -1.1221 | |
| 3 | G | C | -0.9810 | |
| 4 | H | C | -1.5874 | |
| 5 | K | C | -0.6328 | |
| 6 | G | C | 0.4632 | |
| 7 | F | C | 2.1654 | |
| 1 | G | D | -1.1810 | |
| 2 | G | D | -1.4640 | |
| 3 | G | D | 0.0000 | |
| 4 | H | D | -1.6034 | |
| 5 | K | D | 0.0000 | |
| 6 | G | D | 0.6122 | |
| 7 | F | D | 1.9669 | |
| 1 | G | E | -0.9926 | |
| 2 | G | E | -1.2416 | |
| 3 | G | E | -0.9082 | |
| 4 | H | E | -1.7468 | |
| 5 | K | E | -0.8517 | |
| 6 | G | E | 0.2999 | |
| 7 | F | E | 2.1026 | |
| 1 | G | F | -0.9994 | |
| 2 | G | F | -1.1216 | |
| 3 | G | F | -1.0892 | |
| 4 | H | F | -1.9308 | |
| 5 | K | F | -1.2950 | |
| 6 | G | F | 0.0578 | |
| 7 | F | F | 1.8930 | |
| 1 | G | G | -1.1951 | |
| 2 | G | G | -1.2652 | |
| 3 | G | G | 0.0000 | |
| 4 | H | G | -1.5714 | |
| 5 | K | G | 0.0000 | |
| 6 | G | G | 0.3348 | |
| 7 | F | G | 1.6030 | |
| 1 | G | H | -1.2170 | |
| 2 | G | H | -1.0233 | |
| 3 | G | H | 0.0000 | |
| 4 | H | H | -1.5595 | |
| 5 | K | H | 0.0000 | |
| 6 | G | H | 0.5179 | |
| 7 | F | H | 1.8594 |