| Chain sequence(s) |
A: GSGHKFF
C: GSGHKFF B: GSGHKFF E: GSGHKFF D: GSGHKFF G: GSGHKFF F: GSGHKFF H: GSGHKFF 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 (00:10:02)
[INFO] Main: Simulation completed successfully. (00:10:04)
|
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 | -0.2546 | |
| 2 | S | A | 0.1327 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | 0.0000 | |
| 5 | K | A | 0.0000 | |
| 6 | F | A | 3.1066 | |
| 7 | F | A | 2.9607 | |
| 1 | G | B | -0.7107 | |
| 2 | S | B | 0.0418 | |
| 3 | G | B | 0.0000 | |
| 4 | H | B | 0.9373 | |
| 5 | K | B | 0.0000 | |
| 6 | F | B | 2.4953 | |
| 7 | F | B | 1.9470 | |
| 1 | G | C | -1.0050 | |
| 2 | S | C | -1.0967 | |
| 3 | G | C | 0.0000 | |
| 4 | H | C | -0.9165 | |
| 5 | K | C | -0.1546 | |
| 6 | F | C | 2.1481 | |
| 7 | F | C | 2.0604 | |
| 1 | G | D | -1.0027 | |
| 2 | S | D | -1.3244 | |
| 3 | G | D | -0.7849 | |
| 4 | H | D | -1.0017 | |
| 5 | K | D | -0.6822 | |
| 6 | F | D | 1.3667 | |
| 7 | F | D | 1.0410 | |
| 1 | G | E | -0.9359 | |
| 2 | S | E | -1.3483 | |
| 3 | G | E | -1.5403 | |
| 4 | H | E | -2.0248 | |
| 5 | K | E | -1.3657 | |
| 6 | F | E | 1.8170 | |
| 7 | F | E | 3.2825 | |
| 1 | G | F | -0.8338 | |
| 2 | S | F | -0.5956 | |
| 3 | G | F | -0.1527 | |
| 4 | H | F | 0.2112 | |
| 5 | K | F | 1.6357 | |
| 6 | F | F | 2.9074 | |
| 7 | F | F | 3.5152 | |
| 1 | G | G | -1.1146 | |
| 2 | S | G | -1.1164 | |
| 3 | G | G | 0.0000 | |
| 4 | H | G | -0.2121 | |
| 5 | K | G | 1.4123 | |
| 6 | F | G | 2.5763 | |
| 7 | F | G | 3.4315 | |
| 1 | G | H | -1.2376 | |
| 2 | S | H | -0.8463 | |
| 3 | G | H | -0.7761 | |
| 4 | H | H | 0.5605 | |
| 5 | K | H | 0.0000 | |
| 6 | F | H | 3.0426 | |
| 7 | F | H | 3.6088 |