| Chain sequence(s) |
A: KGHKGHG
C: KGHKGHG B: KGHKGHG E: KGHKGHG D: KGHKGHG G: KGHKGHG F: KGHKGHG H: KGHKGHG 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 (00:06:46)
[INFO] Main: Simulation completed successfully. (00:06:48)
|
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 | K | A | -4.6587 | |
| 2 | G | A | 0.0000 | |
| 3 | H | A | -4.9423 | |
| 4 | K | A | -4.6288 | |
| 5 | G | A | -3.1495 | |
| 6 | H | A | -3.1992 | |
| 7 | G | A | -1.7880 | |
| 1 | K | B | -3.6696 | |
| 2 | G | B | -3.5377 | |
| 3 | H | B | -4.5819 | |
| 4 | K | B | -5.0683 | |
| 5 | G | B | 0.0000 | |
| 6 | H | B | -3.5061 | |
| 7 | G | B | -2.7130 | |
| 1 | K | C | -3.6613 | |
| 2 | G | C | 0.0000 | |
| 3 | H | C | -4.1763 | |
| 4 | K | C | -5.1511 | |
| 5 | G | C | 0.0000 | |
| 6 | H | C | -3.6718 | |
| 7 | G | C | -3.0657 | |
| 1 | K | D | -2.6587 | |
| 2 | G | D | -2.7627 | |
| 3 | H | D | -2.2137 | |
| 4 | K | D | -3.2580 | |
| 5 | G | D | -2.8189 | |
| 6 | H | D | -2.5824 | |
| 7 | G | D | -3.0184 | |
| 1 | K | E | -4.3802 | |
| 2 | G | E | 0.0000 | |
| 3 | H | E | -2.6218 | |
| 4 | K | E | -2.8209 | |
| 5 | G | E | -2.0263 | |
| 6 | H | E | -1.8989 | |
| 7 | G | E | -1.6368 | |
| 1 | K | F | -3.4810 | |
| 2 | G | F | -3.0787 | |
| 3 | H | F | -4.1625 | |
| 4 | K | F | -4.2316 | |
| 5 | G | F | 0.0000 | |
| 6 | H | F | -2.6275 | |
| 7 | G | F | -2.1781 | |
| 1 | K | G | -3.5206 | |
| 2 | G | G | 0.0000 | |
| 3 | H | G | -4.1511 | |
| 4 | K | G | -4.6497 | |
| 5 | G | G | 0.0000 | |
| 6 | H | G | -2.6341 | |
| 7 | G | G | -1.8414 | |
| 1 | K | H | -4.1885 | |
| 2 | G | H | 0.0000 | |
| 3 | H | H | -4.1136 | |
| 4 | K | H | -4.0017 | |
| 5 | G | H | 0.0000 | |
| 6 | H | H | -2.3746 | |
| 7 | G | H | -1.6391 |