| Chain sequence(s) |
A: FFGHKGF
C: FFGHKGF B: FFGHKGF E: FFGHKGF D: FFGHKGF G: FFGHKGF F: FFGHKGF H: FFGHKGF 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 (00:01:05)
[INFO] Main: Simulation completed successfully. (00:01:07)
|
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 | 5.0699 | |
| 2 | F | A | 3.4312 | |
| 3 | G | A | 0.7087 | |
| 4 | H | A | -0.8941 | |
| 5 | K | A | -1.9270 | |
| 6 | G | A | -0.7106 | |
| 7 | F | A | 1.1978 | |
| 1 | F | B | 4.9183 | |
| 2 | F | B | 2.6350 | |
| 3 | G | B | 0.0000 | |
| 4 | H | B | -0.9871 | |
| 5 | K | B | -1.8592 | |
| 6 | G | B | -0.5433 | |
| 7 | F | B | 1.1488 | |
| 1 | F | C | 4.6797 | |
| 2 | F | C | 2.6918 | |
| 3 | G | C | 0.1003 | |
| 4 | H | C | -1.0341 | |
| 5 | K | C | -1.9106 | |
| 6 | G | C | -0.5441 | |
| 7 | F | C | 1.1520 | |
| 1 | F | D | 4.7222 | |
| 2 | F | D | 2.5426 | |
| 3 | G | D | 0.2309 | |
| 4 | H | D | -1.0455 | |
| 5 | K | D | -2.0645 | |
| 6 | G | D | -0.6382 | |
| 7 | F | D | 1.1615 | |
| 1 | F | E | 4.0533 | |
| 2 | F | E | 2.9745 | |
| 3 | G | E | 0.3888 | |
| 4 | H | E | -1.0711 | |
| 5 | K | E | -1.7463 | |
| 6 | G | E | -0.6510 | |
| 7 | F | E | 1.1961 | |
| 1 | F | F | 5.3005 | |
| 2 | F | F | 3.9771 | |
| 3 | G | F | 0.6864 | |
| 4 | H | F | -0.5482 | |
| 5 | K | F | -1.7267 | |
| 6 | G | F | -0.5589 | |
| 7 | F | F | 1.1313 | |
| 1 | F | G | 6.0110 | |
| 2 | F | G | 3.3361 | |
| 3 | G | G | 0.5636 | |
| 4 | H | G | -1.0826 | |
| 5 | K | G | -2.1200 | |
| 6 | G | G | -0.6610 | |
| 7 | F | G | 1.2096 | |
| 1 | F | H | 4.9961 | |
| 2 | F | H | 3.0919 | |
| 3 | G | H | 0.2687 | |
| 4 | H | H | -1.0582 | |
| 5 | K | H | -1.9928 | |
| 6 | G | H | -0.6746 | |
| 7 | F | H | 1.1421 |