| Chain sequence(s) |
A: EDEDEDEDEDEDGGKGHFG
C: EDEDEDEDEDEDGGKGHFG B: EDEDEDEDEDEDGGKGHFG E: EDEDEDEDEDEDGGKGHFG D: EDEDEDEDEDEDGGKGHFG G: EDEDEDEDEDEDGGKGHFG F: EDEDEDEDEDEDGGKGHFG H: EDEDEDEDEDEDGGKGHFG 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 (00:06:03)
[INFO] Main: Simulation completed successfully. (00:06:05)
|
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 | E | A | -4.6277 | |
| 2 | D | A | -4.0760 | |
| 3 | E | A | -5.0445 | |
| 4 | D | A | 0.0000 | |
| 5 | E | A | -5.3714 | |
| 6 | D | A | -4.3765 | |
| 7 | E | A | -5.5713 | |
| 8 | D | A | 0.0000 | |
| 9 | E | A | -5.3726 | |
| 10 | D | A | 0.0000 | |
| 11 | E | A | -4.5685 | |
| 12 | D | A | 0.0000 | |
| 13 | G | A | -2.2593 | |
| 14 | G | A | -1.4826 | |
| 15 | K | A | 0.0000 | |
| 16 | G | A | 0.0000 | |
| 17 | H | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | G | A | -0.5191 | |
| 1 | E | B | -4.6909 | |
| 2 | D | B | -4.5690 | |
| 3 | E | B | -5.3705 | |
| 4 | D | B | 0.0000 | |
| 5 | E | B | -5.8273 | |
| 6 | D | B | 0.0000 | |
| 7 | E | B | -6.2325 | |
| 8 | D | B | 0.0000 | |
| 9 | E | B | -5.8546 | |
| 10 | D | B | 0.0000 | |
| 11 | E | B | -4.7296 | |
| 12 | D | B | 0.0000 | |
| 13 | G | B | -2.1572 | |
| 14 | G | B | -1.4573 | |
| 15 | K | B | 0.0000 | |
| 16 | G | B | 0.0000 | |
| 17 | H | B | 0.0000 | |
| 18 | F | B | 0.0000 | |
| 19 | G | B | 0.0633 | |
| 1 | E | C | -3.9310 | |
| 2 | D | C | -4.1942 | |
| 3 | E | C | -4.9930 | |
| 4 | D | C | -4.6527 | |
| 5 | E | C | -5.4393 | |
| 6 | D | C | -5.8256 | |
| 7 | E | C | -5.8270 | |
| 8 | D | C | -5.2275 | |
| 9 | E | C | -5.5162 | |
| 10 | D | C | -4.1966 | |
| 11 | E | C | -4.3543 | |
| 12 | D | C | -3.2880 | |
| 13 | G | C | -1.9150 | |
| 14 | G | C | -1.4900 | |
| 15 | K | C | -2.0998 | |
| 16 | G | C | -1.7375 | |
| 17 | H | C | -1.1129 | |
| 18 | F | C | -1.1398 | |
| 19 | G | C | -0.3025 | |
| 1 | E | D | -4.0482 | |
| 2 | D | D | -4.4279 | |
| 3 | E | D | -5.1544 | |
| 4 | D | D | -5.3346 | |
| 5 | E | D | -5.6100 | |
| 6 | D | D | -5.3929 | |
| 7 | E | D | -5.1592 | |
| 8 | D | D | -3.5710 | |
| 9 | E | D | -4.0976 | |
| 10 | D | D | -3.3121 | |
| 11 | E | D | -4.2470 | |
| 12 | D | D | -3.7269 | |
| 13 | G | D | -2.2730 | |
| 14 | G | D | -1.9305 | |
| 15 | K | D | -2.1081 | |
| 16 | G | D | -1.4080 | |
| 17 | H | D | 0.0315 | |
| 18 | F | D | 0.7773 | |
| 19 | G | D | 0.0503 | |
| 1 | E | E | -4.6775 | |
| 2 | D | E | -4.7347 | |
| 3 | E | E | -5.5330 | |
| 4 | D | E | 0.0000 | |
| 5 | E | E | -5.8471 | |
| 6 | D | E | 0.0000 | |
| 7 | E | E | -5.3747 | |
| 8 | D | E | 0.0000 | |
| 9 | E | E | -4.9457 | |
| 10 | D | E | 0.0000 | |
| 11 | E | E | -5.1650 | |
| 12 | D | E | 0.0000 | |
| 13 | G | E | -2.3957 | |
| 14 | G | E | -1.8111 | |
| 15 | K | E | 0.0000 | |
| 16 | G | E | 0.0000 | |
| 17 | H | E | 0.0000 | |
| 18 | F | E | 0.0000 | |
| 19 | G | E | 0.0000 | |
| 1 | E | F | -4.5868 | |
| 2 | D | F | -3.9817 | |
| 3 | E | F | -4.9274 | |
| 4 | D | F | 0.0000 | |
| 5 | E | F | -5.1356 | |
| 6 | D | F | 0.0000 | |
| 7 | E | F | -5.2724 | |
| 8 | D | F | 0.0000 | |
| 9 | E | F | -5.3603 | |
| 10 | D | F | 0.0000 | |
| 11 | E | F | -5.0377 | |
| 12 | D | F | 0.0000 | |
| 13 | G | F | -2.2953 | |
| 14 | G | F | -1.5669 | |
| 15 | K | F | 0.0000 | |
| 16 | G | F | 0.0000 | |
| 17 | H | F | 0.0000 | |
| 18 | F | F | 0.0000 | |
| 19 | G | F | -0.4879 | |
| 1 | E | G | -3.7005 | |
| 2 | D | G | -3.3231 | |
| 3 | E | G | -4.2625 | |
| 4 | D | G | -3.4574 | |
| 5 | E | G | -4.3695 | |
| 6 | D | G | -3.8556 | |
| 7 | E | G | -4.4686 | |
| 8 | D | G | -3.4736 | |
| 9 | E | G | -4.4238 | |
| 10 | D | G | -3.2705 | |
| 11 | E | G | -4.0954 | |
| 12 | D | G | -2.7498 | |
| 13 | G | G | -1.9991 | |
| 14 | G | G | -1.8301 | |
| 15 | K | G | -2.3837 | |
| 16 | G | G | -1.8804 | |
| 17 | H | G | -1.0725 | |
| 18 | F | G | -1.1078 | |
| 19 | G | G | -0.8518 | |
| 1 | E | H | -3.7376 | |
| 2 | D | H | -3.4411 | |
| 3 | E | H | -4.3336 | |
| 4 | D | H | -3.6247 | |
| 5 | E | H | -4.4965 | |
| 6 | D | H | -4.0006 | |
| 7 | E | H | -4.6026 | |
| 8 | D | H | -3.5625 | |
| 9 | E | H | -4.4443 | |
| 10 | D | H | -3.2471 | |
| 11 | E | H | -3.9739 | |
| 12 | D | H | -2.6807 | |
| 13 | G | H | -1.9638 | |
| 14 | G | H | -1.8262 | |
| 15 | K | H | -2.3181 | |
| 16 | G | H | -1.8268 | |
| 17 | H | H | -1.0055 | |
| 18 | F | H | -1.1340 | |
| 19 | G | H | -0.8383 |