| Chain sequence(s) |
A: FEFEFEGGGKGH
C: FEFEFEGGGKGH B: FEFEFEGGGKGH D: FEFEFEGGGKGH input PDB |
| Selected Chain(s) | A,C,B,D |
| 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 (00:01:29)
[INFO] Main: Simulation completed successfully. (00:01:30)
|
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 | 1.6953 | |
| 2 | E | A | -0.7830 | |
| 3 | F | A | 0.6111 | |
| 4 | E | A | -2.0504 | |
| 5 | F | A | 0.0000 | |
| 6 | E | A | -3.3371 | |
| 7 | G | A | 0.0000 | |
| 8 | G | A | 0.0000 | |
| 9 | G | A | -3.8993 | |
| 10 | K | A | -4.4952 | |
| 11 | G | A | -3.0370 | |
| 12 | H | A | -2.8268 | |
| 1 | F | B | 1.7699 | |
| 2 | E | B | -0.0956 | |
| 3 | F | B | 1.2276 | |
| 4 | E | B | -1.3338 | |
| 5 | F | B | -1.3369 | |
| 6 | E | B | -3.3009 | |
| 7 | G | B | 0.0000 | |
| 8 | G | B | 0.0000 | |
| 9 | G | B | -3.6770 | |
| 10 | K | B | -3.8017 | |
| 11 | G | B | -2.5858 | |
| 12 | H | B | -2.2219 | |
| 1 | F | C | 1.5657 | |
| 2 | E | C | -0.8496 | |
| 3 | F | C | 0.0112 | |
| 4 | E | C | -1.7684 | |
| 5 | F | C | -0.7328 | |
| 6 | E | C | -3.0143 | |
| 7 | G | C | -3.4372 | |
| 8 | G | C | -3.4874 | |
| 9 | G | C | -3.5854 | |
| 10 | K | C | -4.6393 | |
| 11 | G | C | -3.1173 | |
| 12 | H | C | -2.5779 | |
| 1 | F | D | 1.2855 | |
| 2 | E | D | -0.9142 | |
| 3 | F | D | -0.1828 | |
| 4 | E | D | -1.7651 | |
| 5 | F | D | -0.8964 | |
| 6 | E | D | -3.0319 | |
| 7 | G | D | -3.2951 | |
| 8 | G | D | 0.0000 | |
| 9 | G | D | -2.6223 | |
| 10 | K | D | -3.6119 | |
| 11 | G | D | -2.4875 | |
| 12 | H | D | -1.9783 |