| Chain sequence(s) |
A: GHKGHKS
C: GHKGHKS B: GHKGHKS E: GHKGHKS D: GHKGHKS G: GHKGHKS F: GHKGHKS H: GHKGHKS 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 (00:01:24)
[INFO] Main: Simulation completed successfully. (00:01:25)
|
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 | -2.7382 | |
| 2 | H | A | -3.5660 | |
| 3 | K | A | -3.6821 | |
| 4 | G | A | -3.1770 | |
| 5 | H | A | -2.7409 | |
| 6 | K | A | -2.6510 | |
| 7 | S | A | -1.3603 | |
| 1 | G | B | -1.5017 | |
| 2 | H | B | -2.2943 | |
| 3 | K | B | -3.1269 | |
| 4 | G | B | -2.9519 | |
| 5 | H | B | -3.5553 | |
| 6 | K | B | -3.0962 | |
| 7 | S | B | -1.9610 | |
| 1 | G | C | -2.1023 | |
| 2 | H | C | -3.4307 | |
| 3 | K | C | -4.0649 | |
| 4 | G | C | -3.7005 | |
| 5 | H | C | -3.2444 | |
| 6 | K | C | -3.1131 | |
| 7 | S | C | -1.5832 | |
| 1 | G | D | -2.0401 | |
| 2 | H | D | -2.3107 | |
| 3 | K | D | -2.9974 | |
| 4 | G | D | -2.6349 | |
| 5 | H | D | -2.6320 | |
| 6 | K | D | -2.8582 | |
| 7 | S | D | -1.3688 | |
| 1 | G | E | -2.0723 | |
| 2 | H | E | -2.3425 | |
| 3 | K | E | -3.2073 | |
| 4 | G | E | -2.6242 | |
| 5 | H | E | -2.7527 | |
| 6 | K | E | -2.6675 | |
| 7 | S | E | -1.2700 | |
| 1 | G | F | -1.5100 | |
| 2 | H | F | -2.6435 | |
| 3 | K | F | -3.3886 | |
| 4 | G | F | -3.3171 | |
| 5 | H | F | -3.2755 | |
| 6 | K | F | -3.0544 | |
| 7 | S | F | -1.8403 | |
| 1 | G | G | -2.9888 | |
| 2 | H | G | -3.0857 | |
| 3 | K | G | -3.6970 | |
| 4 | G | G | -3.1734 | |
| 5 | H | G | -3.3513 | |
| 6 | K | G | -3.5897 | |
| 7 | S | G | -2.3837 | |
| 1 | G | H | -3.7171 | |
| 2 | H | H | -3.5445 | |
| 3 | K | H | -3.7971 | |
| 4 | G | H | -2.7787 | |
| 5 | H | H | -2.7966 | |
| 6 | K | H | -2.5974 | |
| 7 | S | H | -1.3414 |