| Chain sequence(s) |
A: FEFEFEGSKGH
C: FEFEFEGSKGH B: FEFEFEGSKGH E: FEFEFEGSKGH D: FEFEFEGSKGH G: FEFEFEGSKGH F: FEFEFEGSKGH H: FEFEFEGSKGH 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 (00:02:50)
[INFO] Main: Simulation completed successfully. (00:02:52)
|
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 | -2.5256 | |
| 2 | E | A | -2.7131 | |
| 3 | F | A | -1.7416 | |
| 4 | E | A | -3.1363 | |
| 5 | F | A | -2.5694 | |
| 6 | E | A | -3.7525 | |
| 7 | G | A | -3.2892 | |
| 8 | S | A | -2.7950 | |
| 9 | K | A | -3.0884 | |
| 10 | G | A | -2.2244 | |
| 11 | H | A | -1.6745 | |
| 1 | F | B | -1.5186 | |
| 2 | E | B | -3.2009 | |
| 3 | F | B | 0.0000 | |
| 4 | E | B | -3.6148 | |
| 5 | F | B | -2.6041 | |
| 6 | E | B | -3.5601 | |
| 7 | G | B | -2.7476 | |
| 8 | S | B | -2.5734 | |
| 9 | K | B | -2.9032 | |
| 10 | G | B | -2.2153 | |
| 11 | H | B | -1.7164 | |
| 1 | F | C | 0.6721 | |
| 2 | E | C | -1.1056 | |
| 3 | F | C | -0.3617 | |
| 4 | E | C | -1.0736 | |
| 5 | F | C | -1.3579 | |
| 6 | E | C | -2.5609 | |
| 7 | G | C | -2.4669 | |
| 8 | S | C | -2.5260 | |
| 9 | K | C | -2.9701 | |
| 10 | G | C | -2.1580 | |
| 11 | H | C | -1.6901 | |
| 1 | F | D | -0.6866 | |
| 2 | E | D | -1.9375 | |
| 3 | F | D | -1.1129 | |
| 4 | E | D | -2.2069 | |
| 5 | F | D | -1.4854 | |
| 6 | E | D | -3.2553 | |
| 7 | G | D | -2.9161 | |
| 8 | S | D | -2.4840 | |
| 9 | K | D | -2.9801 | |
| 10 | G | D | -2.3266 | |
| 11 | H | D | -1.7101 | |
| 1 | F | E | -2.2931 | |
| 2 | E | E | -3.3353 | |
| 3 | F | E | -1.8833 | |
| 4 | E | E | -2.8467 | |
| 5 | F | E | -1.8220 | |
| 6 | E | E | -2.5427 | |
| 7 | G | E | -2.0706 | |
| 8 | S | E | -2.1385 | |
| 9 | K | E | -2.8146 | |
| 10 | G | E | -2.4094 | |
| 11 | H | E | -1.7145 | |
| 1 | F | F | 0.9681 | |
| 2 | E | F | -1.0736 | |
| 3 | F | F | -1.4253 | |
| 4 | E | F | -2.8720 | |
| 5 | F | F | 0.0000 | |
| 6 | E | F | -3.6693 | |
| 7 | G | F | -2.5800 | |
| 8 | S | F | -2.7799 | |
| 9 | K | F | -3.5213 | |
| 10 | G | F | -2.5913 | |
| 11 | H | F | -1.9180 | |
| 1 | F | G | 0.8615 | |
| 2 | E | G | -1.3455 | |
| 3 | F | G | -1.2475 | |
| 4 | E | G | -2.7106 | |
| 5 | F | G | -2.4522 | |
| 6 | E | G | -3.2776 | |
| 7 | G | G | -2.6572 | |
| 8 | S | G | -2.5726 | |
| 9 | K | G | -3.5006 | |
| 10 | G | G | -2.1214 | |
| 11 | H | G | -1.6996 | |
| 1 | F | H | 0.7168 | |
| 2 | E | H | -0.7641 | |
| 3 | F | H | 0.2468 | |
| 4 | E | H | -1.5517 | |
| 5 | F | H | -0.6499 | |
| 6 | E | H | -2.1909 | |
| 7 | G | H | -2.0272 | |
| 8 | S | H | -2.1128 | |
| 9 | K | H | -2.5649 | |
| 10 | G | H | -2.0590 | |
| 11 | H | H | -1.7086 |