| Chain sequence(s) |
A: GGKGHFG
C: GGKGHFG B: GGKGHFG E: GGKGHFG D: GGKGHFG G: GGKGHFG F: GGKGHFG H: GGKGHFG 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:03)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:45)
[INFO] Main: Simulation completed successfully. (00:02:49)
|
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 | G | A | -1.7139 | |
| 2 | G | A | 0.0000 | |
| 3 | K | A | -2.8647 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -2.1590 | |
| 6 | F | A | 0.0000 | |
| 7 | G | A | -1.5203 | |
| 1 | G | B | -1.1349 | |
| 2 | G | B | 0.0000 | |
| 3 | K | B | -2.8187 | |
| 4 | G | B | -2.3669 | |
| 5 | H | B | -2.1150 | |
| 6 | F | B | -1.4533 | |
| 7 | G | B | -1.3038 | |
| 1 | G | C | -1.3159 | |
| 2 | G | C | -2.1467 | |
| 3 | K | C | -2.8916 | |
| 4 | G | C | -2.2440 | |
| 5 | H | C | -1.7182 | |
| 6 | F | C | -0.6236 | |
| 7 | G | C | -0.8624 | |
| 1 | G | D | -1.7222 | |
| 2 | G | D | 0.0000 | |
| 3 | K | D | -2.7399 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -2.0153 | |
| 6 | F | D | 0.0000 | |
| 7 | G | D | -1.4541 | |
| 1 | G | E | -1.7340 | |
| 2 | G | E | 0.0000 | |
| 3 | K | E | -2.9347 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -2.1175 | |
| 6 | F | E | 0.0000 | |
| 7 | G | E | -1.6844 | |
| 1 | G | F | -1.4848 | |
| 2 | G | F | -1.7344 | |
| 3 | K | F | -2.7856 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | -2.3805 | |
| 6 | F | F | 0.0000 | |
| 7 | G | F | -1.6214 | |
| 1 | G | G | -1.8036 | |
| 2 | G | G | -2.1136 | |
| 3 | K | G | -3.1730 | |
| 4 | G | G | -2.1906 | |
| 5 | H | G | -1.9670 | |
| 6 | F | G | -1.0715 | |
| 7 | G | G | -1.0819 | |
| 1 | G | H | -1.9454 | |
| 2 | G | H | 0.0000 | |
| 3 | K | H | -3.6853 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -2.3027 | |
| 6 | F | H | 0.0000 | |
| 7 | G | H | -1.4617 |