| Chain sequence(s) |
A: KGHKGHK
C: KGHKGHK B: KGHKGHK E: KGHKGHK D: KGHKGHK G: KGHKGHK F: KGHKGHK H: KGHKGHK 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 (00:12:33)
[INFO] Main: Simulation completed successfully. (00:12:35)
|
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 | K | A | -4.9995 | |
| 2 | G | A | -4.1883 | |
| 3 | H | A | -4.5605 | |
| 4 | K | A | -5.6862 | |
| 5 | G | A | 0.0000 | |
| 6 | H | A | -4.3075 | |
| 7 | K | A | -4.8522 | |
| 1 | K | B | -4.6444 | |
| 2 | G | B | 0.0000 | |
| 3 | H | B | -3.7737 | |
| 4 | K | B | 0.0000 | |
| 5 | G | B | -3.6145 | |
| 6 | H | B | -3.5796 | |
| 7 | K | B | -4.0638 | |
| 1 | K | C | -4.4575 | |
| 2 | G | C | -3.1205 | |
| 3 | H | C | -2.8702 | |
| 4 | K | C | -4.5844 | |
| 5 | G | C | 0.0000 | |
| 6 | H | C | -5.3584 | |
| 7 | K | C | -5.6570 | |
| 1 | K | D | -4.2497 | |
| 2 | G | D | -2.9437 | |
| 3 | H | D | -3.0390 | |
| 4 | K | D | -3.2361 | |
| 5 | G | D | -2.5582 | |
| 6 | H | D | -2.5980 | |
| 7 | K | D | -2.6160 | |
| 1 | K | E | -3.5809 | |
| 2 | G | E | -2.9156 | |
| 3 | H | E | -2.8166 | |
| 4 | K | E | -3.8173 | |
| 5 | G | E | -3.0858 | |
| 6 | H | E | -3.0880 | |
| 7 | K | E | -3.4438 | |
| 1 | K | F | -3.1985 | |
| 2 | G | F | 0.0000 | |
| 3 | H | F | -3.6221 | |
| 4 | K | F | -4.3315 | |
| 5 | G | F | -3.3575 | |
| 6 | H | F | -3.0158 | |
| 7 | K | F | -3.4432 | |
| 1 | K | G | -4.0512 | |
| 2 | G | G | -3.7789 | |
| 3 | H | G | -4.0303 | |
| 4 | K | G | -3.7368 | |
| 5 | G | G | -3.0162 | |
| 6 | H | G | -3.2068 | |
| 7 | K | G | -2.7679 | |
| 1 | K | H | -2.8394 | |
| 2 | G | H | -3.3278 | |
| 3 | H | H | -4.0890 | |
| 4 | K | H | -4.0721 | |
| 5 | G | H | 0.0000 | |
| 6 | H | H | -4.2731 | |
| 7 | K | H | -4.1282 |