| Chain sequence(s) |
A: GGGHKGG
C: GGGHKGG B: GGGHKGG E: GGGHKGG D: GGGHKGG G: GGGHKGG F: GGGHKGG H: GGGHKGG 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 (00:01:08)
[INFO] Main: Simulation completed successfully. (00:01:10)
|
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 | -1.3543 | |
| 2 | G | A | -1.5986 | |
| 3 | G | A | -2.2222 | |
| 4 | H | A | -2.7295 | |
| 5 | K | A | -2.8954 | |
| 6 | G | A | -1.8919 | |
| 7 | G | A | -1.2203 | |
| 1 | G | B | -2.0781 | |
| 2 | G | B | -2.3945 | |
| 3 | G | B | -2.6903 | |
| 4 | H | B | -2.6241 | |
| 5 | K | B | -2.5476 | |
| 6 | G | B | -1.6442 | |
| 7 | G | B | -1.2173 | |
| 1 | G | C | -1.1315 | |
| 2 | G | C | -1.3695 | |
| 3 | G | C | -2.0045 | |
| 4 | H | C | -2.3333 | |
| 5 | K | C | -2.5549 | |
| 6 | G | C | -1.7916 | |
| 7 | G | C | -1.2976 | |
| 1 | G | D | -1.1345 | |
| 2 | G | D | -1.5855 | |
| 3 | G | D | -2.2981 | |
| 4 | H | D | -2.6368 | |
| 5 | K | D | -2.7537 | |
| 6 | G | D | -1.9570 | |
| 7 | G | D | -1.5108 | |
| 1 | G | E | -1.0577 | |
| 2 | G | E | -1.4855 | |
| 3 | G | E | -1.9056 | |
| 4 | H | E | -2.6179 | |
| 5 | K | E | -2.7434 | |
| 6 | G | E | -2.0855 | |
| 7 | G | E | -1.3154 | |
| 1 | G | F | -1.2500 | |
| 2 | G | F | -1.4738 | |
| 3 | G | F | -1.9675 | |
| 4 | H | F | -2.3029 | |
| 5 | K | F | -2.1419 | |
| 6 | G | F | -1.6816 | |
| 7 | G | F | -1.1255 | |
| 1 | G | G | -1.2372 | |
| 2 | G | G | -1.4902 | |
| 3 | G | G | -2.2180 | |
| 4 | H | G | -2.2765 | |
| 5 | K | G | -2.3308 | |
| 6 | G | G | -1.7617 | |
| 7 | G | G | -1.2815 | |
| 1 | G | H | -1.2110 | |
| 2 | G | H | -1.4941 | |
| 3 | G | H | -2.4004 | |
| 4 | H | H | -2.0501 | |
| 5 | K | H | -2.3895 | |
| 6 | G | H | -1.5400 | |
| 7 | G | H | -1.3727 |