| Chain sequence(s) |
A: SKGHKGH
C: SKGHKGH B: SKGHKGH E: SKGHKGH D: SKGHKGH G: SKGHKGH F: SKGHKGH H: SKGHKGH 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:37)
[INFO] Main: Simulation completed successfully. (00:01:39)
|
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 | S | A | -1.7710 | |
| 2 | K | A | -2.8005 | |
| 3 | G | A | -2.5463 | |
| 4 | H | A | -2.4729 | |
| 5 | K | A | -2.2890 | |
| 6 | G | A | -1.4726 | |
| 7 | H | A | -1.9406 | |
| 1 | S | B | -1.8063 | |
| 2 | K | B | -2.6240 | |
| 3 | G | B | 0.0000 | |
| 4 | H | B | -2.1939 | |
| 5 | K | B | 0.0000 | |
| 6 | G | B | -1.5060 | |
| 7 | H | B | -2.0457 | |
| 1 | S | C | -1.6492 | |
| 2 | K | C | -2.4732 | |
| 3 | G | C | 0.0000 | |
| 4 | H | C | -1.9344 | |
| 5 | K | C | 0.0000 | |
| 6 | G | C | -1.4809 | |
| 7 | H | C | -2.0421 | |
| 1 | S | D | -1.5799 | |
| 2 | K | D | -2.7918 | |
| 3 | G | D | -2.5617 | |
| 4 | H | D | -2.3722 | |
| 5 | K | D | -2.4133 | |
| 6 | G | D | -1.4838 | |
| 7 | H | D | -1.8558 | |
| 1 | S | E | -1.7379 | |
| 2 | K | E | -2.9301 | |
| 3 | G | E | -2.5448 | |
| 4 | H | E | -2.5660 | |
| 5 | K | E | -2.9281 | |
| 6 | G | E | -1.9017 | |
| 7 | H | E | -2.0700 | |
| 1 | S | F | -1.6526 | |
| 2 | K | F | -2.4430 | |
| 3 | G | F | 0.0000 | |
| 4 | H | F | -2.4399 | |
| 5 | K | F | 0.0000 | |
| 6 | G | F | -1.7166 | |
| 7 | H | F | -2.2043 | |
| 1 | S | G | -1.6099 | |
| 2 | K | G | -2.2222 | |
| 3 | G | G | 0.0000 | |
| 4 | H | G | -1.9209 | |
| 5 | K | G | 0.0000 | |
| 6 | G | G | -1.3907 | |
| 7 | H | G | -1.8976 | |
| 1 | S | H | -1.4108 | |
| 2 | K | H | -2.3419 | |
| 3 | G | H | -2.5001 | |
| 4 | H | H | -2.2744 | |
| 5 | K | H | -2.0023 | |
| 6 | G | H | -1.2857 | |
| 7 | H | H | -1.7217 |