| Chain sequence(s) |
A: FEFEFEGGGKGH
C: FEFEFEGGGKGH B: FEFEFEGGGKGH E: FEFEFEGGGKGH D: FEFEFEGGGKGH G: FEFEFEGGGKGH F: FEFEFEGGGKGH I: FEFEFEGGGKGH H: FEFEFEGGGKGH K: FEFEFEGGGKGH J: FEFEFEGGGKGH L: FEFEFEGGGKGH input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,I,H,K,J,L |
| 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 (00:08:42)
[INFO] Main: Simulation completed successfully. (00:08:46)
|
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 | -0.3913 | |
| 2 | E | A | -3.2699 | |
| 3 | F | A | 0.0000 | |
| 4 | E | A | -5.6217 | |
| 5 | F | A | 0.0000 | |
| 6 | E | A | -5.0638 | |
| 7 | G | A | -3.0746 | |
| 8 | G | A | -2.5242 | |
| 9 | G | A | -2.6189 | |
| 10 | K | A | -3.3677 | |
| 11 | G | A | -2.8189 | |
| 12 | H | A | -2.4709 | |
| 1 | F | B | 0.2494 | |
| 2 | E | B | -3.1491 | |
| 3 | F | B | 0.0000 | |
| 4 | E | B | -5.9202 | |
| 5 | F | B | 0.0000 | |
| 6 | E | B | -5.0922 | |
| 7 | G | B | -3.2926 | |
| 8 | G | B | -2.9103 | |
| 9 | G | B | -2.5160 | |
| 10 | K | B | -2.9758 | |
| 11 | G | B | 0.0000 | |
| 12 | H | B | -2.1248 | |
| 1 | F | C | 0.2891 | |
| 2 | E | C | -2.8983 | |
| 3 | F | C | 0.0000 | |
| 4 | E | C | -6.3126 | |
| 5 | F | C | 0.0000 | |
| 6 | E | C | -5.6246 | |
| 7 | G | C | 0.0000 | |
| 8 | G | C | -2.7864 | |
| 9 | G | C | -2.9049 | |
| 10 | K | C | -3.4680 | |
| 11 | G | C | -2.8802 | |
| 12 | H | C | -2.5435 | |
| 1 | F | D | 0.6632 | |
| 2 | E | D | -2.3696 | |
| 3 | F | D | 0.0000 | |
| 4 | E | D | -4.6127 | |
| 5 | F | D | 0.0000 | |
| 6 | E | D | -4.4048 | |
| 7 | G | D | -2.9222 | |
| 8 | G | D | -2.5902 | |
| 9 | G | D | -2.5857 | |
| 10 | K | D | -2.8572 | |
| 11 | G | D | -2.7383 | |
| 12 | H | D | -2.4012 | |
| 1 | F | E | 1.0260 | |
| 2 | E | E | -1.7748 | |
| 3 | F | E | -1.7905 | |
| 4 | E | E | -3.5812 | |
| 5 | F | E | -2.6802 | |
| 6 | E | E | -3.4903 | |
| 7 | G | E | -2.1452 | |
| 8 | G | E | -2.4881 | |
| 9 | G | E | -2.3566 | |
| 10 | K | E | -2.9527 | |
| 11 | G | E | -2.6122 | |
| 12 | H | E | -2.1132 | |
| 1 | F | F | 0.4902 | |
| 2 | E | F | -2.3095 | |
| 3 | F | F | -2.5050 | |
| 4 | E | F | -4.2758 | |
| 5 | F | F | -3.4060 | |
| 6 | E | F | -4.1456 | |
| 7 | G | F | -2.4882 | |
| 8 | G | F | -2.6510 | |
| 9 | G | F | -2.7827 | |
| 10 | K | F | -3.7651 | |
| 11 | G | F | -2.8706 | |
| 12 | H | F | -2.1755 | |
| 1 | F | G | -0.0999 | |
| 2 | E | G | -2.8384 | |
| 3 | F | G | 0.0000 | |
| 4 | E | G | -4.5823 | |
| 5 | F | G | -3.5027 | |
| 6 | E | G | -4.0522 | |
| 7 | G | G | -2.8175 | |
| 8 | G | G | -2.6754 | |
| 9 | G | G | -2.9253 | |
| 10 | K | G | -3.7696 | |
| 11 | G | G | -3.0138 | |
| 12 | H | G | -2.2420 | |
| 1 | F | H | 0.0214 | |
| 2 | E | H | -2.5176 | |
| 3 | F | H | 0.0000 | |
| 4 | E | H | -4.4557 | |
| 5 | F | H | 0.0000 | |
| 6 | E | H | -4.3397 | |
| 7 | G | H | -2.9113 | |
| 8 | G | H | -2.6358 | |
| 9 | G | H | -2.5173 | |
| 10 | K | H | -3.5975 | |
| 11 | G | H | -2.8240 | |
| 12 | H | H | -2.1420 | |
| 1 | F | I | 0.5727 | |
| 2 | E | I | -2.8939 | |
| 3 | F | I | -3.2411 | |
| 4 | E | I | -5.1628 | |
| 5 | F | I | 0.0000 | |
| 6 | E | I | -5.1921 | |
| 7 | G | I | -3.1226 | |
| 8 | G | I | -2.4853 | |
| 9 | G | I | -2.5727 | |
| 10 | K | I | -3.4943 | |
| 11 | G | I | -2.5645 | |
| 12 | H | I | -2.1448 | |
| 1 | F | J | 0.7831 | |
| 2 | E | J | -2.6390 | |
| 3 | F | J | 0.0000 | |
| 4 | E | J | -6.4280 | |
| 5 | F | J | 0.0000 | |
| 6 | E | J | -5.7010 | |
| 7 | G | J | -3.2505 | |
| 8 | G | J | -2.8894 | |
| 9 | G | J | -2.7010 | |
| 10 | K | J | -3.5447 | |
| 11 | G | J | -2.5575 | |
| 12 | H | J | -2.1960 | |
| 1 | F | K | 0.4929 | |
| 2 | E | K | -1.8906 | |
| 3 | F | K | -2.0869 | |
| 4 | E | K | -3.9169 | |
| 5 | F | K | -3.2531 | |
| 6 | E | K | -3.8591 | |
| 7 | G | K | 0.0000 | |
| 8 | G | K | -2.5367 | |
| 9 | G | K | -2.6656 | |
| 10 | K | K | -3.3275 | |
| 11 | G | K | -2.7461 | |
| 12 | H | K | -2.0580 | |
| 1 | F | L | 0.7572 | |
| 2 | E | L | -1.9578 | |
| 3 | F | L | 0.0000 | |
| 4 | E | L | -3.7754 | |
| 5 | F | L | -3.0109 | |
| 6 | E | L | -3.8762 | |
| 7 | G | L | -2.4993 | |
| 8 | G | L | -2.3676 | |
| 9 | G | L | -2.4988 | |
| 10 | K | L | -3.1496 | |
| 11 | G | L | -2.1392 | |
| 12 | H | L | -1.7660 |