| Chain sequence(s) |
A: CSTVSPGVLAGIVVGDLVLTVLIALAVYFLGRL
B: CSTVSPGVLAGIVVGDLVLTVLIALAVYFLGRL input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:10)
[INFO] Main: Simulation completed successfully. (00:01:14)
|
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 | C | A | 1.0053 | |
| 2 | S | A | 0.5358 | |
| 3 | T | A | 0.5057 | |
| 4 | V | A | 1.0668 | |
| 5 | S | A | 0.4239 | |
| 6 | P | A | 0.4297 | |
| 7 | G | A | 0.5323 | |
| 8 | V | A | 2.0122 | |
| 9 | L | A | 1.7306 | |
| 10 | A | A | 1.2989 | |
| 11 | G | A | 1.3638 | |
| 12 | I | A | 2.3205 | |
| 13 | V | A | 2.3727 | |
| 14 | V | A | 2.9234 | |
| 15 | G | A | 1.8781 | |
| 16 | D | A | 2.4631 | |
| 17 | L | A | 3.0245 | |
| 18 | V | A | 2.8014 | |
| 19 | L | A | 2.6585 | |
| 20 | T | A | 2.1579 | |
| 21 | V | A | 3.3270 | |
| 22 | L | A | 3.4730 | |
| 23 | I | A | 2.7150 | |
| 24 | A | A | 2.8258 | |
| 25 | L | A | 3.9836 | |
| 26 | A | A | 2.9078 | |
| 27 | V | A | 2.8170 | |
| 28 | Y | A | 3.8076 | |
| 29 | F | A | 3.7181 | |
| 30 | L | A | 2.6044 | |
| 31 | G | A | 1.1113 | |
| 32 | R | A | -0.9318 | |
| 1 | C | B | 0.9546 | |
| 2 | S | B | 0.4132 | |
| 3 | T | B | 0.4603 | |
| 4 | V | B | 0.7085 | |
| 5 | S | B | 0.3377 | |
| 6 | P | B | 0.3501 | |
| 7 | G | B | 0.4227 | |
| 8 | V | B | 1.8830 | |
| 9 | L | B | 1.7233 | |
| 10 | A | B | 1.2350 | |
| 11 | G | B | 1.1762 | |
| 12 | I | B | 2.1786 | |
| 13 | V | B | 2.5108 | |
| 14 | V | B | 2.8754 | |
| 15 | G | B | 2.0174 | |
| 16 | D | B | 2.5470 | |
| 17 | L | B | 3.1811 | |
| 18 | V | B | 3.2916 | |
| 19 | L | B | 2.6291 | |
| 20 | T | B | 2.2528 | |
| 21 | V | B | 2.9849 | |
| 22 | L | B | 3.1524 | |
| 23 | I | B | 2.3963 | |
| 24 | A | B | 2.3280 | |
| 25 | L | B | 2.9903 | |
| 26 | A | B | 2.6206 | |
| 27 | V | B | 2.1290 | |
| 28 | Y | B | 2.5885 | |
| 29 | F | B | 2.8791 | |
| 30 | L | B | 1.9991 | |
| 31 | G | B | 0.1674 | |
| 32 | R | B | -0.5013 |