| Chain sequence(s) |
A: FFGHKFG
C: FFGHKFG B: FFGHKFG E: FFGHKFG D: FFGHKFG G: FFGHKFG F: FFGHKFG H: FFGHKFG 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 (00:10:04)
[INFO] Main: Simulation completed successfully. (00:10:07)
|
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 | 5.0010 | |
| 2 | F | A | 3.6219 | |
| 3 | G | A | 0.7903 | |
| 4 | H | A | -0.4549 | |
| 5 | K | A | -0.0457 | |
| 6 | F | A | 1.4223 | |
| 7 | G | A | 0.4536 | |
| 1 | F | B | 4.0616 | |
| 2 | F | B | 3.7319 | |
| 3 | G | B | 0.0000 | |
| 4 | H | B | 0.0347 | |
| 5 | K | B | -0.1670 | |
| 6 | F | B | 1.5395 | |
| 7 | G | B | 0.3368 | |
| 1 | F | C | 3.2542 | |
| 2 | F | C | 2.6453 | |
| 3 | G | C | 0.4616 | |
| 4 | H | C | -0.2463 | |
| 5 | K | C | -1.1030 | |
| 6 | F | C | 0.7378 | |
| 7 | G | C | 0.1087 | |
| 1 | F | D | 4.5673 | |
| 2 | F | D | 0.0000 | |
| 3 | G | D | -0.4876 | |
| 4 | H | D | -1.2680 | |
| 5 | K | D | -2.2083 | |
| 6 | F | D | -0.7140 | |
| 7 | G | D | -0.7604 | |
| 1 | F | E | 0.0000 | |
| 2 | F | E | 2.9589 | |
| 3 | G | E | 0.6978 | |
| 4 | H | E | -0.4340 | |
| 5 | K | E | -1.2970 | |
| 6 | F | E | 1.5139 | |
| 7 | G | E | 0.4533 | |
| 1 | F | F | 4.2341 | |
| 2 | F | F | 2.6457 | |
| 3 | G | F | 0.2591 | |
| 4 | H | F | -1.0432 | |
| 5 | K | F | -1.9032 | |
| 6 | F | F | 1.1010 | |
| 7 | G | F | -0.0540 | |
| 1 | F | G | 4.0006 | |
| 2 | F | G | 1.7185 | |
| 3 | G | G | -0.0280 | |
| 4 | H | G | -1.0990 | |
| 5 | K | G | -1.6852 | |
| 6 | F | G | 0.8520 | |
| 7 | G | G | -0.2735 | |
| 1 | F | H | 4.3855 | |
| 2 | F | H | 2.9554 | |
| 3 | G | H | 0.7097 | |
| 4 | H | H | -0.6813 | |
| 5 | K | H | -1.9440 | |
| 6 | F | H | 0.6156 | |
| 7 | G | H | -0.4521 |