| Chain sequence(s) |
A: GGGHKFG
C: GGGHKFG B: GGGHKFG E: GGGHKFG D: GGGHKFG G: GGGHKFG F: GGGHKFG H: GGGHKFG 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 (00:02:18)
[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 | -1.8257 | |
| 2 | G | A | -1.9966 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | -2.7105 | |
| 5 | K | A | -3.2725 | |
| 6 | F | A | 0.0000 | |
| 7 | G | A | -2.3355 | |
| 1 | G | B | -2.3585 | |
| 2 | G | B | 0.0000 | |
| 3 | G | B | 0.0000 | |
| 4 | H | B | -2.1165 | |
| 5 | K | B | -3.1684 | |
| 6 | F | B | 0.0000 | |
| 7 | G | B | -2.2044 | |
| 1 | G | C | -1.3505 | |
| 2 | G | C | -1.8304 | |
| 3 | G | C | 0.0000 | |
| 4 | H | C | -2.5822 | |
| 5 | K | C | -3.1356 | |
| 6 | F | C | -2.1405 | |
| 7 | G | C | -1.9575 | |
| 1 | G | D | -1.4955 | |
| 2 | G | D | -1.8282 | |
| 3 | G | D | -2.4657 | |
| 4 | H | D | -2.3645 | |
| 5 | K | D | -2.8549 | |
| 6 | F | D | -1.8199 | |
| 7 | G | D | -1.5170 | |
| 1 | G | E | -1.4874 | |
| 2 | G | E | -1.8270 | |
| 3 | G | E | -2.6536 | |
| 4 | H | E | -2.5173 | |
| 5 | K | E | -3.1520 | |
| 6 | F | E | 0.0000 | |
| 7 | G | E | -2.1195 | |
| 1 | G | F | -1.6197 | |
| 2 | G | F | -1.6985 | |
| 3 | G | F | -2.5474 | |
| 4 | H | F | -2.4350 | |
| 5 | K | F | -3.2824 | |
| 6 | F | F | 0.0000 | |
| 7 | G | F | -2.0864 | |
| 1 | G | G | -1.3771 | |
| 2 | G | G | -1.6228 | |
| 3 | G | G | -2.3279 | |
| 4 | H | G | -2.4929 | |
| 5 | K | G | -3.1733 | |
| 6 | F | G | -2.9575 | |
| 7 | G | G | -2.2071 | |
| 1 | G | H | -1.3436 | |
| 2 | G | H | -1.4277 | |
| 3 | G | H | -2.2206 | |
| 4 | H | H | -2.7157 | |
| 5 | K | H | -3.2937 | |
| 6 | F | H | 0.0000 | |
| 7 | G | H | -2.2124 |