| Chain sequence(s) |
A: GNNQQNY
C: GNNQQNY B: GNNQQNY E: GNNQQNY D: GNNQQNY G: GNNQQNY F: GNNQQNY H: GNNQQNY 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 (00:00:26)
[INFO] Main: Simulation completed successfully. (00:00:28)
|
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 | -1.6240 | |
| 2 | N | A | -1.8929 | |
| 3 | N | A | -1.7234 | |
| 4 | Q | A | 0.0000 | |
| 5 | Q | A | -0.6163 | |
| 6 | N | A | 0.0000 | |
| 7 | Y | A | 1.7380 | |
| 1 | G | B | -1.4915 | |
| 2 | N | B | -2.3983 | |
| 3 | N | B | -2.0003 | |
| 4 | Q | B | -1.9692 | |
| 5 | Q | B | -1.1397 | |
| 6 | N | B | -0.9058 | |
| 7 | Y | B | 1.1160 | |
| 1 | G | C | -1.2941 | |
| 2 | N | C | -1.8261 | |
| 3 | N | C | -1.6453 | |
| 4 | Q | C | -1.4972 | |
| 5 | Q | C | -0.7764 | |
| 6 | N | C | -0.2642 | |
| 7 | Y | C | 1.5786 | |
| 1 | G | D | -1.3676 | |
| 2 | N | D | -1.5249 | |
| 3 | N | D | -1.4234 | |
| 4 | Q | D | 0.0000 | |
| 5 | Q | D | -0.1688 | |
| 6 | N | D | 0.0000 | |
| 7 | Y | D | 2.1434 | |
| 1 | G | E | -1.5887 | |
| 2 | N | E | -1.9504 | |
| 3 | N | E | -1.8633 | |
| 4 | Q | E | 0.0000 | |
| 5 | Q | E | -0.3377 | |
| 6 | N | E | 0.0000 | |
| 7 | Y | E | 2.1483 | |
| 1 | G | F | -1.7363 | |
| 2 | N | F | -2.5385 | |
| 3 | N | F | -2.5851 | |
| 4 | Q | F | -1.9588 | |
| 5 | Q | F | -0.9713 | |
| 6 | N | F | -0.0276 | |
| 7 | Y | F | 1.5557 | |
| 1 | G | G | -1.3171 | |
| 2 | N | G | -1.7318 | |
| 3 | N | G | -2.0358 | |
| 4 | Q | G | 0.0000 | |
| 5 | Q | G | -1.0564 | |
| 6 | N | G | 0.0000 | |
| 7 | Y | G | 1.4830 | |
| 1 | G | H | -1.4568 | |
| 2 | N | H | -1.4888 | |
| 3 | N | H | -1.5595 | |
| 4 | Q | H | 0.0000 | |
| 5 | Q | H | -0.3251 | |
| 6 | N | H | 0.0000 | |
| 7 | Y | H | 1.6576 |