| Chain sequence(s) |
A: FTGHKTF
C: FTGHKTF B: FTGHKTF E: FTGHKTF D: FTGHKTF G: FTGHKTF F: FTGHKTF H: FTGHKTF 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 (00:07:56)
[INFO] Main: Simulation completed successfully. (00:07:58)
|
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 | 2.5993 | |
| 2 | T | A | 1.2778 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | 0.0064 | |
| 5 | K | A | 0.3229 | |
| 6 | T | A | 0.0000 | |
| 7 | F | A | 0.5507 | |
| 1 | F | B | 1.3039 | |
| 2 | T | B | 0.0911 | |
| 3 | G | B | 0.0000 | |
| 4 | H | B | -0.0092 | |
| 5 | K | B | 1.7297 | |
| 6 | T | B | 2.2725 | |
| 7 | F | B | 3.5724 | |
| 1 | F | C | 2.8478 | |
| 2 | T | C | 0.9896 | |
| 3 | G | C | 0.0000 | |
| 4 | H | C | 0.7104 | |
| 5 | K | C | 0.4202 | |
| 6 | T | C | 0.0000 | |
| 7 | F | C | 3.2532 | |
| 1 | F | D | 3.7399 | |
| 2 | T | D | 0.0000 | |
| 3 | G | D | 0.0000 | |
| 4 | H | D | -0.0851 | |
| 5 | K | D | 0.0000 | |
| 6 | T | D | 0.6408 | |
| 7 | F | D | 1.0069 | |
| 1 | F | E | 3.3240 | |
| 2 | T | E | 1.8258 | |
| 3 | G | E | 0.0000 | |
| 4 | H | E | -0.2240 | |
| 5 | K | E | 0.0788 | |
| 6 | T | E | 1.0039 | |
| 7 | F | E | 2.5677 | |
| 1 | F | F | 2.5294 | |
| 2 | T | F | 0.0000 | |
| 3 | G | F | 0.0000 | |
| 4 | H | F | 0.0000 | |
| 5 | K | F | 0.9338 | |
| 6 | T | F | 1.9987 | |
| 7 | F | F | 3.7799 | |
| 1 | F | G | 2.9480 | |
| 2 | T | G | 0.9459 | |
| 3 | G | G | 0.0000 | |
| 4 | H | G | -0.3469 | |
| 5 | K | G | 0.0000 | |
| 6 | T | G | 0.0000 | |
| 7 | F | G | 3.2729 | |
| 1 | F | H | 2.9950 | |
| 2 | T | H | 1.1993 | |
| 3 | G | H | 0.0000 | |
| 4 | H | H | -0.2330 | |
| 5 | K | H | -0.7447 | |
| 6 | T | H | 0.6221 | |
| 7 | F | H | 2.4849 |