| Chain sequence(s) |
A: GGGHKGG
C: GGGHKGG B: GGGHKGG E: GGGHKGG D: GGGHKGG G: GGGHKGG F: GGGHKGG H: GGGHKGG 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 (00:02:10)
[INFO] Main: Simulation completed successfully. (00:02:12)
|
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 | -1.4140 | |
| 2 | G | A | -1.6920 | |
| 3 | G | A | -1.5532 | |
| 4 | H | A | -2.7836 | |
| 5 | K | A | -2.3667 | |
| 6 | G | A | -2.5981 | |
| 7 | G | A | -1.2808 | |
| 1 | G | B | -1.5148 | |
| 2 | G | B | -1.9449 | |
| 3 | G | B | -3.0530 | |
| 4 | H | B | -4.5047 | |
| 5 | K | B | -4.6618 | |
| 6 | G | B | -3.3786 | |
| 7 | G | B | -2.5160 | |
| 1 | G | C | 0.0000 | |
| 2 | G | C | 0.0000 | |
| 3 | G | C | 0.0000 | |
| 4 | H | C | -4.5997 | |
| 5 | K | C | -5.1137 | |
| 6 | G | C | 0.0000 | |
| 7 | G | C | -2.7970 | |
| 1 | G | D | -1.6180 | |
| 2 | G | D | -1.7603 | |
| 3 | G | D | -2.8050 | |
| 4 | H | D | -3.5315 | |
| 5 | K | D | -4.5959 | |
| 6 | G | D | -3.1032 | |
| 7 | G | D | -2.6158 | |
| 1 | G | E | -1.7774 | |
| 2 | G | E | -1.7959 | |
| 3 | G | E | -2.0832 | |
| 4 | H | E | -3.1229 | |
| 5 | K | E | -3.6827 | |
| 6 | G | E | -2.8146 | |
| 7 | G | E | -2.2937 | |
| 1 | G | F | -1.7265 | |
| 2 | G | F | -1.9526 | |
| 3 | G | F | 0.0000 | |
| 4 | H | F | -3.1875 | |
| 5 | K | F | -3.5751 | |
| 6 | G | F | -2.2481 | |
| 7 | G | F | -1.5923 | |
| 1 | G | G | -1.5901 | |
| 2 | G | G | -1.7484 | |
| 3 | G | G | -2.8100 | |
| 4 | H | G | -3.4456 | |
| 5 | K | G | -3.9642 | |
| 6 | G | G | -2.6020 | |
| 7 | G | G | -1.9747 | |
| 1 | G | H | -1.7751 | |
| 2 | G | H | -2.0401 | |
| 3 | G | H | -2.2761 | |
| 4 | H | H | -3.1636 | |
| 5 | K | H | -3.0646 | |
| 6 | G | H | -2.8863 | |
| 7 | G | H | -1.8258 |