| Chain sequence(s) |
A: FFKGHFG
C: FFKGHFG B: FFKGHFG E: FFKGHFG D: FFKGHFG G: FFKGHFG F: FFKGHFG I: FFKGHFG H: FFKGHFG K: FFKGHFG J: FFKGHFG L: FFKGHFG input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,I,H,K,J,L |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:09)
[INFO] Main: Simulation completed successfully. (00:03:11)
|
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 | 3.2584 | |
| 2 | F | A | 0.0000 | |
| 3 | K | A | -0.5353 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -1.1865 | |
| 6 | F | A | 0.2851 | |
| 7 | G | A | -0.6573 | |
| 1 | F | B | 3.0207 | |
| 2 | F | B | 1.9516 | |
| 3 | K | B | -0.9962 | |
| 4 | G | B | -1.1670 | |
| 5 | H | B | -0.9873 | |
| 6 | F | B | 0.9154 | |
| 7 | G | B | -0.2187 | |
| 1 | F | C | 2.8053 | |
| 2 | F | C | 1.1489 | |
| 3 | K | C | -1.3441 | |
| 4 | G | C | -1.5028 | |
| 5 | H | C | -1.3293 | |
| 6 | F | C | 0.7127 | |
| 7 | G | C | -0.4434 | |
| 1 | F | D | 3.2444 | |
| 2 | F | D | 0.0000 | |
| 3 | K | D | -0.6378 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -1.1495 | |
| 6 | F | D | 0.1236 | |
| 7 | G | D | -0.7078 | |
| 1 | F | E | 3.3492 | |
| 2 | F | E | 0.0000 | |
| 3 | K | E | -0.3855 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -1.0861 | |
| 6 | F | E | 0.2010 | |
| 7 | G | E | -0.8965 | |
| 1 | F | F | 3.1189 | |
| 2 | F | F | 0.0000 | |
| 3 | K | F | -0.6783 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | -1.3644 | |
| 6 | F | F | -0.0974 | |
| 7 | G | F | -0.8753 | |
| 1 | F | G | 2.4396 | |
| 2 | F | G | 0.0000 | |
| 3 | K | G | -1.5163 | |
| 4 | G | G | -1.4991 | |
| 5 | H | G | -1.5074 | |
| 6 | F | G | 0.0815 | |
| 7 | G | G | -0.6802 | |
| 1 | F | H | 2.9384 | |
| 2 | F | H | 1.7845 | |
| 3 | K | H | -0.8882 | |
| 4 | G | H | -0.8490 | |
| 5 | H | H | -0.8838 | |
| 6 | F | H | 0.9837 | |
| 7 | G | H | -0.0473 | |
| 1 | F | I | 3.1111 | |
| 2 | F | I | 0.0000 | |
| 3 | K | I | -0.4574 | |
| 4 | G | I | 0.0000 | |
| 5 | H | I | -1.0357 | |
| 6 | F | I | 0.2868 | |
| 7 | G | I | -0.5155 | |
| 1 | F | J | 3.2682 | |
| 2 | F | J | 0.0000 | |
| 3 | K | J | -0.4100 | |
| 4 | G | J | 0.0000 | |
| 5 | H | J | -1.1148 | |
| 6 | F | J | 0.2533 | |
| 7 | G | J | -0.9097 | |
| 1 | F | K | 3.4444 | |
| 2 | F | K | 0.0000 | |
| 3 | K | K | -0.2503 | |
| 4 | G | K | 0.0000 | |
| 5 | H | K | -1.1892 | |
| 6 | F | K | -0.0823 | |
| 7 | G | K | -0.9826 | |
| 1 | F | L | 3.5573 | |
| 2 | F | L | 0.0000 | |
| 3 | K | L | -0.7020 | |
| 4 | G | L | 0.0000 | |
| 5 | H | L | -1.4426 | |
| 6 | F | L | -0.0322 | |
| 7 | G | L | -1.0041 |