| Chain sequence(s) |
A: FFKGHGG
C: FFKGHGG B: FFKGHGG E: FFKGHGG D: FFKGHGG G: FFKGHGG F: FFKGHGG H: FFKGHGG 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 (00:02:08)
[INFO] Main: Simulation completed successfully. (00:02:10)
|
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 | 2.4348 | |
| 2 | F | A | 0.0000 | |
| 3 | K | A | -1.4084 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -2.1999 | |
| 6 | G | A | 0.0000 | |
| 7 | G | A | -0.2343 | |
| 1 | F | B | 2.4549 | |
| 2 | F | B | 0.9954 | |
| 3 | K | B | -1.4747 | |
| 4 | G | B | -2.2712 | |
| 5 | H | B | -2.3192 | |
| 6 | G | B | -0.9683 | |
| 7 | G | B | -0.4526 | |
| 1 | F | C | 2.3763 | |
| 2 | F | C | 0.4784 | |
| 3 | K | C | -1.1522 | |
| 4 | G | C | -1.8139 | |
| 5 | H | C | -1.4309 | |
| 6 | G | C | -0.2901 | |
| 7 | G | C | 0.1801 | |
| 1 | F | D | 2.5232 | |
| 2 | F | D | 0.0000 | |
| 3 | K | D | -1.2276 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -2.2019 | |
| 6 | G | D | 0.0000 | |
| 7 | G | D | -0.4427 | |
| 1 | F | E | 1.8191 | |
| 2 | F | E | 0.0000 | |
| 3 | K | E | -1.8135 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -1.8052 | |
| 6 | G | E | -0.1141 | |
| 7 | G | E | -0.0211 | |
| 1 | F | F | 2.9680 | |
| 2 | F | F | 2.0224 | |
| 3 | K | F | -0.8954 | |
| 4 | G | F | -1.4992 | |
| 5 | H | F | -2.2658 | |
| 6 | G | F | -1.2653 | |
| 7 | G | F | -1.0127 | |
| 1 | F | G | 2.4159 | |
| 2 | F | G | 0.8364 | |
| 3 | K | G | -1.2654 | |
| 4 | G | G | -2.1343 | |
| 5 | H | G | -2.2343 | |
| 6 | G | G | 0.0000 | |
| 7 | G | G | -0.9046 | |
| 1 | F | H | 1.7208 | |
| 2 | F | H | 0.0000 | |
| 3 | K | H | -1.6224 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -1.9130 | |
| 6 | G | H | 0.0000 | |
| 7 | G | H | -0.4120 |