| Chain sequence(s) |
A: GGKGHFF
C: GGKGHFF B: GGKGHFF E: GGKGHFF D: GGKGHFF G: GGKGHFF F: GGKGHFF H: GGKGHFF 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:16)
[INFO] Main: Simulation completed successfully. (00:02:20)
|
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 | -0.9418 | |
| 2 | G | A | 0.0000 | |
| 3 | K | A | -2.4849 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -0.1361 | |
| 6 | F | A | 0.0000 | |
| 7 | F | A | 3.2552 | |
| 1 | G | B | -0.3757 | |
| 2 | G | B | -0.8099 | |
| 3 | K | B | -2.3570 | |
| 4 | G | B | -1.4362 | |
| 5 | H | B | -0.4507 | |
| 6 | F | B | 2.1649 | |
| 7 | F | B | 2.8689 | |
| 1 | G | C | 0.2102 | |
| 2 | G | C | 0.1742 | |
| 3 | K | C | -1.4416 | |
| 4 | G | C | -1.0797 | |
| 5 | H | C | -0.3265 | |
| 6 | F | C | 1.5942 | |
| 7 | F | C | 2.1230 | |
| 1 | G | D | -0.4779 | |
| 2 | G | D | 0.0000 | |
| 3 | K | D | 0.2962 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -0.4859 | |
| 6 | F | D | 0.0000 | |
| 7 | F | D | 0.5181 | |
| 1 | G | E | 0.5255 | |
| 2 | G | E | 0.0000 | |
| 3 | K | E | -0.9849 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -0.8636 | |
| 6 | F | E | 0.0000 | |
| 7 | F | E | 0.8914 | |
| 1 | G | F | -0.1293 | |
| 2 | G | F | -0.6426 | |
| 3 | K | F | -1.9409 | |
| 4 | G | F | -2.2049 | |
| 5 | H | F | -1.4738 | |
| 6 | F | F | 0.0000 | |
| 7 | F | F | 1.2352 | |
| 1 | G | G | -0.6685 | |
| 2 | G | G | -1.2208 | |
| 3 | K | G | -2.7453 | |
| 4 | G | G | -2.1086 | |
| 5 | H | G | -1.0968 | |
| 6 | F | G | 0.6701 | |
| 7 | F | G | 2.1647 | |
| 1 | G | H | -1.0121 | |
| 2 | G | H | 0.0000 | |
| 3 | K | H | -2.8899 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -0.9118 | |
| 6 | F | H | 0.0000 | |
| 7 | F | H | 2.0216 |