| 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 (00:01:08)
[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 | F | A | 1.5326 | |
| 2 | G | A | 0.0649 | |
| 3 | G | A | -1.3017 | |
| 4 | H | A | 0.0000 | |
| 5 | K | A | -2.8379 | |
| 6 | F | A | 0.0000 | |
| 7 | G | A | -0.9884 | |
| 1 | F | B | 1.9148 | |
| 2 | G | B | 0.0273 | |
| 3 | G | B | -1.1472 | |
| 4 | H | B | -1.5691 | |
| 5 | K | B | -2.5003 | |
| 6 | F | B | -0.6223 | |
| 7 | G | B | -0.6207 | |
| 1 | F | C | 1.9852 | |
| 2 | G | C | 0.3638 | |
| 3 | G | C | -1.0365 | |
| 4 | H | C | -1.2574 | |
| 5 | K | C | -2.6659 | |
| 6 | F | C | -1.1988 | |
| 7 | G | C | -1.2002 | |
| 1 | F | D | 1.5581 | |
| 2 | G | D | 0.3178 | |
| 3 | G | D | -1.1600 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | -2.8645 | |
| 6 | F | D | 0.0000 | |
| 7 | G | D | -1.4352 | |
| 1 | F | E | 2.1214 | |
| 2 | G | E | 0.4133 | |
| 3 | G | E | -1.0070 | |
| 4 | H | E | -1.3885 | |
| 5 | K | E | -2.6170 | |
| 6 | F | E | -0.7158 | |
| 7 | G | E | -0.7660 | |
| 1 | F | F | 2.0328 | |
| 2 | G | F | 0.2982 | |
| 3 | G | F | -0.8954 | |
| 4 | H | F | -1.2101 | |
| 5 | K | F | -2.1285 | |
| 6 | F | F | 0.0291 | |
| 7 | G | F | -0.3717 | |
| 1 | F | G | 1.6684 | |
| 2 | G | G | 0.2220 | |
| 3 | G | G | -1.2428 | |
| 4 | H | G | 0.0000 | |
| 5 | K | G | -2.6086 | |
| 6 | F | G | 0.0000 | |
| 7 | G | G | -0.9068 | |
| 1 | F | H | 1.3659 | |
| 2 | G | H | 0.0310 | |
| 3 | G | H | -1.2922 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | -2.8291 | |
| 6 | F | H | 0.0000 | |
| 7 | G | H | -1.2505 |