| Chain sequence(s) |
A: KGHKGHK
C: KGHKGHK B: KGHKGHK E: KGHKGHK D: KGHKGHK G: KGHKGHK F: KGHKGHK H: KGHKGHK 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:31)
[INFO] Main: Simulation completed successfully. (00:06:33)
|
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 | -3.6344 | |
| 2 | G | A | -2.3382 | |
| 3 | H | A | -1.8169 | |
| 4 | K | A | -1.9545 | |
| 5 | G | A | 0.0000 | |
| 6 | H | A | -2.9554 | |
| 7 | K | A | -3.9299 | |
| 1 | K | B | -3.5033 | |
| 2 | G | B | -2.6554 | |
| 3 | H | B | -2.4467 | |
| 4 | K | B | 0.0000 | |
| 5 | G | B | 0.0000 | |
| 6 | H | B | -3.3091 | |
| 7 | K | B | -3.8589 | |
| 1 | K | C | -3.1677 | |
| 2 | G | C | -2.5765 | |
| 3 | H | C | -2.7699 | |
| 4 | K | C | -3.0903 | |
| 5 | G | C | -2.4039 | |
| 6 | H | C | -3.2645 | |
| 7 | K | C | -3.4345 | |
| 1 | K | D | -3.3653 | |
| 2 | G | D | -2.8654 | |
| 3 | H | D | -2.9382 | |
| 4 | K | D | -3.1607 | |
| 5 | G | D | -2.4144 | |
| 6 | H | D | -3.1654 | |
| 7 | K | D | -3.3196 | |
| 1 | K | E | -3.9606 | |
| 2 | G | E | -3.4005 | |
| 3 | H | E | -3.6204 | |
| 4 | K | E | -3.1513 | |
| 5 | G | E | 0.0000 | |
| 6 | H | E | -3.2551 | |
| 7 | K | E | -3.7110 | |
| 1 | K | F | -3.1814 | |
| 2 | G | F | -2.8091 | |
| 3 | H | F | -2.7615 | |
| 4 | K | F | -2.8418 | |
| 5 | G | F | -2.4272 | |
| 6 | H | F | -2.4320 | |
| 7 | K | F | -3.1360 | |
| 1 | K | G | -3.1616 | |
| 2 | G | G | -2.6635 | |
| 3 | H | G | -2.5306 | |
| 4 | K | G | -2.8619 | |
| 5 | G | G | -2.4645 | |
| 6 | H | G | -2.8625 | |
| 7 | K | G | -3.3729 | |
| 1 | K | H | -3.7382 | |
| 2 | G | H | -2.6654 | |
| 3 | H | H | -2.1984 | |
| 4 | K | H | 0.0000 | |
| 5 | G | H | 0.0000 | |
| 6 | H | H | -3.0250 | |
| 7 | K | H | -3.7859 |