| Chain sequence(s) |
A: FGKGHGF
C: FGKGHGF B: FGKGHGF E: FGKGHGF D: FGKGHGF G: FGKGHGF F: FGKGHGF H: FGKGHGF 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 (00:11:06)
[INFO] Main: Simulation completed successfully. (00:11:08)
|
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 | 1.6071 | |
| 2 | G | A | 0.1619 | |
| 3 | K | A | 0.2786 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | 0.9330 | |
| 6 | G | A | 1.4751 | |
| 7 | F | A | 2.2676 | |
| 1 | F | B | 1.9729 | |
| 2 | G | B | 0.0000 | |
| 3 | K | B | -1.0664 | |
| 4 | G | B | -0.3205 | |
| 5 | H | B | -0.7500 | |
| 6 | G | B | 1.1018 | |
| 7 | F | B | 3.6884 | |
| 1 | F | C | 2.8675 | |
| 2 | G | C | 0.6337 | |
| 3 | K | C | -0.5685 | |
| 4 | G | C | -0.0128 | |
| 5 | H | C | -0.4913 | |
| 6 | G | C | 1.2767 | |
| 7 | F | C | 2.9572 | |
| 1 | F | D | 2.5824 | |
| 2 | G | D | 1.5036 | |
| 3 | K | D | 0.4365 | |
| 4 | G | D | 1.0012 | |
| 5 | H | D | 1.6302 | |
| 6 | G | D | 0.0000 | |
| 7 | F | D | 3.1252 | |
| 1 | F | E | 1.7009 | |
| 2 | G | E | -0.1854 | |
| 3 | K | E | -1.8677 | |
| 4 | G | E | -0.7650 | |
| 5 | H | E | -0.8157 | |
| 6 | G | E | 0.7820 | |
| 7 | F | E | 3.6825 | |
| 1 | F | F | 1.9756 | |
| 2 | G | F | 0.7937 | |
| 3 | K | F | 0.5668 | |
| 4 | G | F | 0.2707 | |
| 5 | H | F | 0.0000 | |
| 6 | G | F | 0.6805 | |
| 7 | F | F | 1.8772 | |
| 1 | F | G | 2.5498 | |
| 2 | G | G | 0.0000 | |
| 3 | K | G | -0.5674 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | -0.7266 | |
| 6 | G | G | 0.9295 | |
| 7 | F | G | 2.7988 | |
| 1 | F | H | 2.0574 | |
| 2 | G | H | 0.0000 | |
| 3 | K | H | 0.2710 | |
| 4 | G | H | -0.4892 | |
| 5 | H | H | -0.6329 | |
| 6 | G | H | -0.0933 | |
| 7 | F | H | 1.5654 |