| Chain sequence(s) |
A: FEKGHFEF
C: FEKGHFEF B: FEKGHFEF E: FEKGHFEF D: FEKGHFEF G: FEKGHFEF F: FEKGHFEF H: FEKGHFEF 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 (00:01:27)
[INFO] Main: Simulation completed successfully. (00:01:29)
|
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 | 2.1253 | |
| 2 | E | A | 0.6410 | |
| 3 | K | A | -0.6755 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -1.3377 | |
| 6 | F | A | -0.8579 | |
| 7 | E | A | -0.7040 | |
| 8 | F | A | 1.0577 | |
| 1 | F | B | 1.1948 | |
| 2 | E | B | -1.3264 | |
| 3 | K | B | -2.2163 | |
| 4 | G | B | -1.5274 | |
| 5 | H | B | -1.6356 | |
| 6 | F | B | -0.6117 | |
| 7 | E | B | -0.7696 | |
| 8 | F | B | 1.4822 | |
| 1 | F | C | 2.4872 | |
| 2 | E | C | 0.8098 | |
| 3 | K | C | -0.3007 | |
| 4 | G | C | 0.0000 | |
| 5 | H | C | -0.8097 | |
| 6 | F | C | -0.5271 | |
| 7 | E | C | -0.0324 | |
| 8 | F | C | 1.4600 | |
| 1 | F | D | 2.2978 | |
| 2 | E | D | 0.6205 | |
| 3 | K | D | -0.3128 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -0.7792 | |
| 6 | F | D | -0.3550 | |
| 7 | E | D | 0.1637 | |
| 8 | F | D | 1.5594 | |
| 1 | F | E | 2.3416 | |
| 2 | E | E | 0.7123 | |
| 3 | K | E | -0.3092 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -0.7401 | |
| 6 | F | E | -0.2112 | |
| 7 | E | E | 0.3271 | |
| 8 | F | E | 1.8497 | |
| 1 | F | F | 2.4296 | |
| 2 | E | F | 0.5905 | |
| 3 | K | F | -0.3250 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | -0.8411 | |
| 6 | F | F | -0.4498 | |
| 7 | E | F | 0.1205 | |
| 8 | F | F | 1.8142 | |
| 1 | F | G | 1.0934 | |
| 2 | E | G | -1.4252 | |
| 3 | K | G | -2.3004 | |
| 4 | G | G | -1.5481 | |
| 5 | H | G | -1.6512 | |
| 6 | F | G | -0.6552 | |
| 7 | E | G | -0.8002 | |
| 8 | F | G | 1.4442 | |
| 1 | F | H | 2.1359 | |
| 2 | E | H | 0.6274 | |
| 3 | K | H | -0.6576 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -1.3518 | |
| 6 | F | H | -0.8914 | |
| 7 | E | H | -0.8629 | |
| 8 | F | H | 0.9303 |