| Chain sequence(s) |
A: GGGHKFF
C: GGGHKFF B: GGGHKFF E: GGGHKFF D: GGGHKFF G: GGGHKFF F: GGGHKFF H: GGGHKFF 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 (00:01:11)
[INFO] Main: Simulation completed successfully. (00:01:13)
|
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 | -1.2788 | |
| 2 | G | A | -1.5604 | |
| 3 | G | A | -1.9596 | |
| 4 | H | A | -2.0209 | |
| 5 | K | A | -1.4223 | |
| 6 | F | A | 0.9511 | |
| 7 | F | A | 2.6792 | |
| 1 | G | B | -1.2691 | |
| 2 | G | B | -1.4715 | |
| 3 | G | B | -1.8128 | |
| 4 | H | B | -1.6600 | |
| 5 | K | B | -1.5960 | |
| 6 | F | B | 0.5909 | |
| 7 | F | B | 2.4633 | |
| 1 | G | C | -1.3961 | |
| 2 | G | C | -1.7864 | |
| 3 | G | C | -1.9455 | |
| 4 | H | C | -1.9476 | |
| 5 | K | C | -1.0555 | |
| 6 | F | C | 0.0000 | |
| 7 | F | C | 2.9388 | |
| 1 | G | D | -1.1001 | |
| 2 | G | D | -1.6881 | |
| 3 | G | D | -1.4724 | |
| 4 | H | D | -1.5806 | |
| 5 | K | D | -1.1444 | |
| 6 | F | D | 1.0835 | |
| 7 | F | D | 2.7118 | |
| 1 | G | E | -1.1533 | |
| 2 | G | E | -1.6872 | |
| 3 | G | E | -1.7852 | |
| 4 | H | E | -1.9491 | |
| 5 | K | E | -0.9028 | |
| 6 | F | E | 2.1432 | |
| 7 | F | E | 3.3115 | |
| 1 | G | F | -1.2781 | |
| 2 | G | F | -1.5739 | |
| 3 | G | F | -1.8060 | |
| 4 | H | F | -1.5303 | |
| 5 | K | F | -0.4896 | |
| 6 | F | F | 0.0000 | |
| 7 | F | F | 3.5649 | |
| 1 | G | G | -1.3364 | |
| 2 | G | G | -1.4802 | |
| 3 | G | G | -1.4692 | |
| 4 | H | G | -1.4051 | |
| 5 | K | G | -0.5584 | |
| 6 | F | G | 0.0000 | |
| 7 | F | G | 3.4344 | |
| 1 | G | H | -1.3223 | |
| 2 | G | H | -1.5674 | |
| 3 | G | H | -1.7334 | |
| 4 | H | H | -1.6840 | |
| 5 | K | H | -0.6969 | |
| 6 | F | H | 0.0000 | |
| 7 | F | H | 3.2325 |