| Chain sequence(s) |
A: GGGHKFG
C: GGGHKFG B: GGGHKFG E: GGGHKFG D: GGGHKFG G: GGGHKFG F: GGGHKFG H: GGGHKFG 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] (00:00:01)
[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 (00:01:52)
[INFO] Main: Simulation completed successfully. (00:01:54)
|
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 | -1.3740 | |
| 2 | G | A | -1.6007 | |
| 3 | G | A | -1.9990 | |
| 4 | H | A | -2.0163 | |
| 5 | K | A | -2.6389 | |
| 6 | F | A | 0.0000 | |
| 7 | G | A | -1.4020 | |
| 1 | G | B | -1.4210 | |
| 2 | G | B | -1.5746 | |
| 3 | G | B | -2.1444 | |
| 4 | H | B | -2.1792 | |
| 5 | K | B | -2.9548 | |
| 6 | F | B | 0.0000 | |
| 7 | G | B | -1.3630 | |
| 1 | G | C | -1.2188 | |
| 2 | G | C | -1.3941 | |
| 3 | G | C | -2.1588 | |
| 4 | H | C | -2.2423 | |
| 5 | K | C | -2.6418 | |
| 6 | F | C | -0.9456 | |
| 7 | G | C | -0.9026 | |
| 1 | G | D | -1.2081 | |
| 2 | G | D | -1.2694 | |
| 3 | G | D | -1.7896 | |
| 4 | H | D | -1.6332 | |
| 5 | K | D | -2.5756 | |
| 6 | F | D | -1.3585 | |
| 7 | G | D | -1.1152 | |
| 1 | G | E | -1.3880 | |
| 2 | G | E | -1.4379 | |
| 3 | G | E | -1.9781 | |
| 4 | H | E | -2.0713 | |
| 5 | K | E | -2.7749 | |
| 6 | F | E | 0.0000 | |
| 7 | G | E | -1.5362 | |
| 1 | G | F | -1.3439 | |
| 2 | G | F | -1.5787 | |
| 3 | G | F | -2.1218 | |
| 4 | H | F | -2.1090 | |
| 5 | K | F | -3.1276 | |
| 6 | F | F | 0.0000 | |
| 7 | G | F | -1.2860 | |
| 1 | G | G | -1.0580 | |
| 2 | G | G | -1.4692 | |
| 3 | G | G | -2.0049 | |
| 4 | H | G | -2.2076 | |
| 5 | K | G | -2.4702 | |
| 6 | F | G | -0.4691 | |
| 7 | G | G | -0.6511 | |
| 1 | G | H | -1.0722 | |
| 2 | G | H | -1.4355 | |
| 3 | G | H | -1.7578 | |
| 4 | H | H | -1.8251 | |
| 5 | K | H | -2.5337 | |
| 6 | F | H | -1.1746 | |
| 7 | G | H | -0.9765 |