| Chain sequence(s) |
A: FGGHKGG
C: FGGHKGG B: FGGHKGG E: FGGHKGG D: FGGHKGG G: FGGHKGG F: FGGHKGG H: FGGHKGG 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:25)
[INFO] Main: Simulation completed successfully. (00:02:26)
|
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 | 5.5220 | |
| 2 | G | A | 1.0849 | |
| 3 | G | A | -1.7622 | |
| 4 | H | A | -4.5415 | |
| 5 | K | A | -5.8026 | |
| 6 | G | A | -3.6288 | |
| 7 | G | A | -2.9958 | |
| 1 | F | B | 6.0971 | |
| 2 | G | B | 0.0000 | |
| 3 | G | B | 0.0000 | |
| 4 | H | B | -4.8656 | |
| 5 | K | B | -6.0102 | |
| 6 | G | B | 0.0000 | |
| 7 | G | B | -3.0288 | |
| 1 | F | C | 6.2343 | |
| 2 | G | C | 0.0000 | |
| 3 | G | C | -0.7539 | |
| 4 | H | C | -3.7703 | |
| 5 | K | C | -5.0105 | |
| 6 | G | C | 0.0000 | |
| 7 | G | C | -2.8988 | |
| 1 | F | D | 6.0003 | |
| 2 | G | D | 2.8907 | |
| 3 | G | D | -0.2032 | |
| 4 | H | D | -2.7313 | |
| 5 | K | D | -5.0007 | |
| 6 | G | D | -3.3233 | |
| 7 | G | D | -2.5825 | |
| 1 | F | E | 5.1772 | |
| 2 | G | E | 2.1280 | |
| 3 | G | E | -0.7999 | |
| 4 | H | E | -3.1713 | |
| 5 | K | E | -3.8131 | |
| 6 | G | E | -2.6673 | |
| 7 | G | E | -1.8931 | |
| 1 | F | F | 5.6814 | |
| 2 | G | F | 1.6913 | |
| 3 | G | F | -0.1867 | |
| 4 | H | F | -1.9688 | |
| 5 | K | F | -2.8809 | |
| 6 | G | F | -1.7576 | |
| 7 | G | F | -1.3705 | |
| 1 | F | G | 5.8155 | |
| 2 | G | G | 1.6398 | |
| 3 | G | G | -0.8821 | |
| 4 | H | G | -2.9956 | |
| 5 | K | G | -2.7311 | |
| 6 | G | G | -2.3092 | |
| 7 | G | G | -1.5930 | |
| 1 | F | H | 4.1433 | |
| 2 | G | H | 0.0134 | |
| 3 | G | H | -1.4545 | |
| 4 | H | H | -2.4957 | |
| 5 | K | H | -3.3434 | |
| 6 | G | H | -2.1136 | |
| 7 | G | H | -1.3852 |