| Chain sequence(s) |
A: FFKGHFG
C: FFKGHFG B: FFKGHFG E: FFKGHFG D: FFKGHFG G: FFKGHFG F: FFKGHFG H: FFKGHFG 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 (00:03:46)
[INFO] Main: Simulation completed successfully. (00:03:48)
|
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 | 2.8168 | |
| 2 | F | A | 0.0000 | |
| 3 | K | A | 0.5425 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | 0.8123 | |
| 6 | F | A | 0.6958 | |
| 7 | G | A | 0.0254 | |
| 1 | F | B | 1.7200 | |
| 2 | F | B | 0.0000 | |
| 3 | K | B | 0.3843 | |
| 4 | G | B | 0.0000 | |
| 5 | H | B | 1.1809 | |
| 6 | F | B | 1.4951 | |
| 7 | G | B | 0.4953 | |
| 1 | F | C | 3.1808 | |
| 2 | F | C | 0.0000 | |
| 3 | K | C | -0.7900 | |
| 4 | G | C | 0.0000 | |
| 5 | H | C | -0.9425 | |
| 6 | F | C | 0.9382 | |
| 7 | G | C | -0.0581 | |
| 1 | F | D | 3.1456 | |
| 2 | F | D | 0.0000 | |
| 3 | K | D | -1.8685 | |
| 4 | G | D | 0.0000 | |
| 5 | H | D | -1.9883 | |
| 6 | F | D | 0.0000 | |
| 7 | G | D | -0.4461 | |
| 1 | F | E | 3.1228 | |
| 2 | F | E | 0.0000 | |
| 3 | K | E | -1.9543 | |
| 4 | G | E | 0.0000 | |
| 5 | H | E | -1.8132 | |
| 6 | F | E | 0.3132 | |
| 7 | G | E | -0.1503 | |
| 1 | F | F | 3.1694 | |
| 2 | F | F | 0.0000 | |
| 3 | K | F | -1.5194 | |
| 4 | G | F | 0.0000 | |
| 5 | H | F | -1.5397 | |
| 6 | F | F | -0.2333 | |
| 7 | G | F | -0.3110 | |
| 1 | F | G | 2.9301 | |
| 2 | F | G | 0.0000 | |
| 3 | K | G | -0.3942 | |
| 4 | G | G | 0.0000 | |
| 5 | H | G | 0.0085 | |
| 6 | F | G | 0.7664 | |
| 7 | G | G | -0.1451 | |
| 1 | F | H | 1.5770 | |
| 2 | F | H | 0.6068 | |
| 3 | K | H | -0.4263 | |
| 4 | G | H | 0.0000 | |
| 5 | H | H | -0.1079 | |
| 6 | F | H | 0.3495 | |
| 7 | G | H | -0.1255 |