| Chain sequence(s) |
A: GGHKGHK
C: GGHKGHK B: GGHKGHK E: GGHKGHK D: GGHKGHK G: GGHKGHK F: GGHKGHK H: GGHKGHK 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 (00:08:08)
[INFO] Main: Simulation completed successfully. (00:08:10)
|
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 | G | A | -2.7917 | |
| 2 | G | A | 0.0000 | |
| 3 | H | A | -4.3037 | |
| 4 | K | A | -5.6591 | |
| 5 | G | A | 0.0000 | |
| 6 | H | A | -5.6678 | |
| 7 | K | A | -5.3515 | |
| 1 | G | B | -1.6080 | |
| 2 | G | B | -2.6222 | |
| 3 | H | B | -3.6971 | |
| 4 | K | B | -4.5700 | |
| 5 | G | B | 0.0000 | |
| 6 | H | B | -4.5973 | |
| 7 | K | B | -3.4268 | |
| 1 | G | C | -2.3092 | |
| 2 | G | C | -2.6080 | |
| 3 | H | C | -3.9854 | |
| 4 | K | C | -5.1243 | |
| 5 | G | C | -4.2848 | |
| 6 | H | C | -5.0417 | |
| 7 | K | C | -4.8277 | |
| 1 | G | D | -1.8668 | |
| 2 | G | D | -2.5007 | |
| 3 | H | D | -3.0554 | |
| 4 | K | D | -4.3093 | |
| 5 | G | D | 0.0000 | |
| 6 | H | D | -4.2141 | |
| 7 | K | D | -5.3258 | |
| 1 | G | E | -1.6050 | |
| 2 | G | E | -2.0884 | |
| 3 | H | E | -2.7918 | |
| 4 | K | E | -3.1826 | |
| 5 | G | E | -2.5592 | |
| 6 | H | E | -2.9554 | |
| 7 | K | E | -3.7221 | |
| 1 | G | F | 0.0000 | |
| 2 | G | F | -2.9607 | |
| 3 | H | F | -3.2311 | |
| 4 | K | F | -3.7028 | |
| 5 | G | F | -3.3144 | |
| 6 | H | F | -3.6299 | |
| 7 | K | F | -3.3109 | |
| 1 | G | G | -2.7838 | |
| 2 | G | G | -3.6785 | |
| 3 | H | G | -4.2057 | |
| 4 | K | G | -4.9260 | |
| 5 | G | G | -4.0028 | |
| 6 | H | G | -3.9023 | |
| 7 | K | G | -3.2972 | |
| 1 | G | H | -1.4954 | |
| 2 | G | H | -2.3347 | |
| 3 | H | H | -3.3234 | |
| 4 | K | H | -4.3317 | |
| 5 | G | H | -4.2896 | |
| 6 | H | H | -4.0655 | |
| 7 | K | H | -3.5839 |