| Chain sequence(s) |
A: FGGHKFG
C: FGGHKFG B: FGGHKFG E: FGGHKFG D: FGGHKFG G: FGGHKFG F: FGGHKFG H: FGGHKFG 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 (00:05:46)
[INFO] Main: Simulation completed successfully. (00:05:48)
|
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 | 5.3935 | |
| 2 | G | A | 1.6113 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | -2.6288 | |
| 5 | K | A | -3.2151 | |
| 6 | F | A | -0.4207 | |
| 7 | G | A | -0.8217 | |
| 1 | F | B | 5.3355 | |
| 2 | G | B | 0.0000 | |
| 3 | G | B | 0.0000 | |
| 4 | H | B | -2.9419 | |
| 5 | K | B | -3.1240 | |
| 6 | F | B | -0.4518 | |
| 7 | G | B | -0.7383 | |
| 1 | F | C | 5.4243 | |
| 2 | G | C | 1.8005 | |
| 3 | G | C | -0.4203 | |
| 4 | H | C | -1.5389 | |
| 5 | K | C | -1.5581 | |
| 6 | F | C | 0.7852 | |
| 7 | G | C | -0.0868 | |
| 1 | F | D | 5.6698 | |
| 2 | G | D | 0.0000 | |
| 3 | G | D | -0.3370 | |
| 4 | H | D | -1.6112 | |
| 5 | K | D | -3.2189 | |
| 6 | F | D | -0.6647 | |
| 7 | G | D | 0.0000 | |
| 1 | F | E | 5.3780 | |
| 2 | G | E | 2.7918 | |
| 3 | G | E | 0.0000 | |
| 4 | H | E | -1.6211 | |
| 5 | K | E | -1.9307 | |
| 6 | F | E | -0.8751 | |
| 7 | G | E | -0.1258 | |
| 1 | F | F | 4.8179 | |
| 2 | G | F | 0.0000 | |
| 3 | G | F | 0.0000 | |
| 4 | H | F | -1.1831 | |
| 5 | K | F | -1.1515 | |
| 6 | F | F | 1.0693 | |
| 7 | G | F | 0.3107 | |
| 1 | F | G | 4.6437 | |
| 2 | G | G | 1.3318 | |
| 3 | G | G | -0.9206 | |
| 4 | H | G | -1.0672 | |
| 5 | K | G | -1.2888 | |
| 6 | F | G | 1.1421 | |
| 7 | G | G | 0.1030 | |
| 1 | F | H | 3.7512 | |
| 2 | G | H | 0.8671 | |
| 3 | G | H | -1.2573 | |
| 4 | H | H | -1.9905 | |
| 5 | K | H | -0.9054 | |
| 6 | F | H | 0.6424 | |
| 7 | G | H | -0.0561 |