| Chain sequence(s) |
A: FFKGHFG
C: FFKGHFG B: FFKGHFG E: FFKGHFG D: FFKGHFG G: FFKGHFG F: FFKGHFG H: FFKGHFG 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 (00:02:01)
[INFO] Main: Simulation completed successfully. (00:02:03)
|
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 | F | A | 2.0715 | |
| 2 | F | A | 0.5078 | |
| 3 | K | A | -1.6488 | |
| 4 | G | A | -1.3845 | |
| 5 | H | A | -1.4836 | |
| 6 | F | A | 0.2126 | |
| 7 | G | A | -0.5694 | |
| 1 | F | B | 2.3743 | |
| 2 | F | B | 0.0000 | |
| 3 | K | B | -1.6766 | |
| 4 | G | B | -1.2858 | |
| 5 | H | B | -1.6135 | |
| 6 | F | B | 0.0391 | |
| 7 | G | B | -0.7479 | |
| 1 | F | C | 2.5867 | |
| 2 | F | C | 0.0000 | |
| 3 | K | C | -1.4461 | |
| 4 | G | C | 0.0000 | |
| 5 | H | C | -1.8200 | |
| 6 | F | C | 0.0000 | |
| 7 | G | C | -1.0532 | |
| 1 | F | D | 2.4295 | |
| 2 | F | D | 0.0000 | |
| 3 | K | D | -1.1218 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -1.8433 | |
| 6 | F | D | -0.1278 | |
| 7 | G | D | -0.8739 | |
| 1 | F | E | 2.9616 | |
| 2 | F | E | 2.0008 | |
| 3 | K | E | -1.1056 | |
| 4 | G | E | -1.4036 | |
| 5 | H | E | -1.6209 | |
| 6 | F | E | 0.4256 | |
| 7 | G | E | -0.4653 | |
| 1 | F | F | 2.5352 | |
| 2 | F | F | 1.2461 | |
| 3 | K | F | -1.3724 | |
| 4 | G | F | -1.2183 | |
| 5 | H | F | -1.6349 | |
| 6 | F | F | 0.3066 | |
| 7 | G | F | -0.6667 | |
| 1 | F | G | 1.7966 | |
| 2 | F | G | 0.0000 | |
| 3 | K | G | -1.3808 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | -1.7348 | |
| 6 | F | G | 0.0000 | |
| 7 | G | G | -1.0069 | |
| 1 | F | H | 1.4407 | |
| 2 | F | H | 0.0000 | |
| 3 | K | H | -1.6608 | |
| 4 | G | H | -1.5921 | |
| 5 | H | H | -1.6806 | |
| 6 | F | H | 0.0000 | |
| 7 | G | H | -0.9625 |