| Chain sequence(s) |
A: NWKCFSKILRRCLCTK
input PDB |
| Selected Chain(s) | A |
| 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 A 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 (00:00:18)
[INFO] Main: Simulation completed successfully. (00:00:19)
|
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 | N | A | -1.5299 | |
| 2 | W | A | -0.5973 | |
| 3 | K | A | -0.8967 | |
| 4 | C | A | 0.7733 | |
| 5 | F | A | 2.1976 | |
| 6 | S | A | 0.0000 | |
| 7 | K | A | -0.5477 | |
| 8 | I | A | 1.4220 | |
| 9 | L | A | 0.9517 | |
| 10 | R | A | -1.6120 | |
| 11 | R | A | -1.2493 | |
| 12 | C | A | 0.4029 | |
| 13 | L | A | 1.2328 | |
| 14 | C | A | 0.5446 | |
| 15 | T | A | -0.1550 | |
| 16 | K | A | -1.6517 |