| Chain sequence(s) |
A: GGGHKFF
C: GGGHKFF B: GGGHKFF E: GGGHKFF D: GGGHKFF G: GGGHKFF F: GGGHKFF H: GGGHKFF 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 (00:02:43)
[INFO] Main: Simulation completed successfully. (00:02:46)
|
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 | -1.1160 | |
| 2 | G | A | -1.4481 | |
| 3 | G | A | -1.5009 | |
| 4 | H | A | -1.2791 | |
| 5 | K | A | -0.9585 | |
| 6 | F | A | 0.6335 | |
| 7 | F | A | 1.2950 | |
| 1 | G | B | -1.2359 | |
| 2 | G | B | -1.5590 | |
| 3 | G | B | -1.7579 | |
| 4 | H | B | 0.0000 | |
| 5 | K | B | -1.2884 | |
| 6 | F | B | 0.7181 | |
| 7 | F | B | 1.9379 | |
| 1 | G | C | -1.1399 | |
| 2 | G | C | -1.4355 | |
| 3 | G | C | -1.9195 | |
| 4 | H | C | -1.4009 | |
| 5 | K | C | -1.1844 | |
| 6 | F | C | 0.7878 | |
| 7 | F | C | 2.0452 | |
| 1 | G | D | -0.8639 | |
| 2 | G | D | -0.8602 | |
| 3 | G | D | -0.3746 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | -0.3322 | |
| 6 | F | D | 0.2126 | |
| 7 | F | D | 0.0000 | |
| 1 | G | E | -0.7916 | |
| 2 | G | E | -0.9889 | |
| 3 | G | E | -1.0539 | |
| 4 | H | E | -0.8272 | |
| 5 | K | E | -0.2058 | |
| 6 | F | E | 0.8500 | |
| 7 | F | E | 1.6502 | |
| 1 | G | F | -0.9497 | |
| 2 | G | F | -1.1734 | |
| 3 | G | F | -1.3648 | |
| 4 | H | F | -1.5740 | |
| 5 | K | F | -1.1855 | |
| 6 | F | F | 0.2848 | |
| 7 | F | F | 0.1151 | |
| 1 | G | G | -0.9394 | |
| 2 | G | G | -1.2356 | |
| 3 | G | G | 0.0000 | |
| 4 | H | G | -1.0004 | |
| 5 | K | G | -0.7171 | |
| 6 | F | G | 0.0000 | |
| 7 | F | G | 0.4865 | |
| 1 | G | H | -0.5798 | |
| 2 | G | H | -0.7921 | |
| 3 | G | H | -0.4487 | |
| 4 | H | H | -0.2388 | |
| 5 | K | H | -0.5989 | |
| 6 | F | H | 0.0000 | |
| 7 | F | H | -0.6599 |