| Chain sequence(s) |
A: GGKGHFF
C: GGKGHFF B: GGKGHFF E: GGKGHFF D: GGKGHFF G: GGKGHFF F: GGKGHFF H: GGKGHFF 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 (00:02:37)
[INFO] Main: Simulation completed successfully. (00:02:39)
|
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 | -1.5614 | |
| 2 | G | A | -2.7156 | |
| 3 | K | A | -3.4490 | |
| 4 | G | A | -1.1996 | |
| 5 | H | A | 0.4700 | |
| 6 | F | A | 2.8777 | |
| 7 | F | A | 3.2503 | |
| 1 | G | B | -1.9120 | |
| 2 | G | B | -2.8198 | |
| 3 | K | B | -3.8942 | |
| 4 | G | B | -1.7608 | |
| 5 | H | B | 0.0000 | |
| 6 | F | B | 0.0000 | |
| 7 | F | B | 3.0725 | |
| 1 | G | C | -1.7660 | |
| 2 | G | C | -2.4970 | |
| 3 | K | C | -3.3832 | |
| 4 | G | C | 0.0000 | |
| 5 | H | C | -0.2546 | |
| 6 | F | C | 3.3249 | |
| 7 | F | C | 3.1725 | |
| 1 | G | D | -1.4935 | |
| 2 | G | D | -1.8969 | |
| 3 | K | D | -2.7981 | |
| 4 | G | D | -1.0228 | |
| 5 | H | D | 0.5574 | |
| 6 | F | D | 0.0000 | |
| 7 | F | D | 3.9794 | |
| 1 | G | E | -1.3333 | |
| 2 | G | E | -2.2480 | |
| 3 | K | E | -2.3361 | |
| 4 | G | E | -0.9054 | |
| 5 | H | E | 0.3166 | |
| 6 | F | E | 2.9997 | |
| 7 | F | E | 3.9473 | |
| 1 | G | F | -1.5807 | |
| 2 | G | F | -2.5159 | |
| 3 | K | F | -3.3942 | |
| 4 | G | F | -1.8267 | |
| 5 | H | F | -0.3711 | |
| 6 | F | F | 0.0000 | |
| 7 | F | F | 3.4928 | |
| 1 | G | G | -1.9098 | |
| 2 | G | G | -2.7774 | |
| 3 | K | G | -3.5641 | |
| 4 | G | G | -1.4158 | |
| 5 | H | G | -0.0655 | |
| 6 | F | G | 0.0000 | |
| 7 | F | G | 3.7847 | |
| 1 | G | H | -1.6286 | |
| 2 | G | H | -2.1450 | |
| 3 | K | H | -2.5219 | |
| 4 | G | H | -1.1759 | |
| 5 | H | H | 0.7634 | |
| 6 | F | H | 3.1830 | |
| 7 | F | H | 3.5833 |