| Chain sequence(s) |
A: FEFEFEGGGKGH
C: FEFEFEGGGKGH B: FEFEFEGGGKGH E: FEFEFEGGGKGH D: FEFEFEGGGKGH G: FEFEFEGGGKGH F: FEFEFEGGGKGH H: FEFEFEGGGKGH 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 (00:05:38)
[INFO] Main: Simulation completed successfully. (00:05:40)
|
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 | 1.1900 | |
| 2 | E | A | -1.4842 | |
| 3 | F | A | 0.0000 | |
| 4 | E | A | -3.0284 | |
| 5 | F | A | -2.0777 | |
| 6 | E | A | -2.9338 | |
| 7 | G | A | -1.8848 | |
| 8 | G | A | -2.1821 | |
| 9 | G | A | -2.5739 | |
| 10 | K | A | -3.5453 | |
| 11 | G | A | -3.1028 | |
| 12 | H | A | -2.2013 | |
| 1 | F | B | 1.1615 | |
| 2 | E | B | -1.6947 | |
| 3 | F | B | -2.3316 | |
| 4 | E | B | -3.2652 | |
| 5 | F | B | -3.1540 | |
| 6 | E | B | -3.2105 | |
| 7 | G | B | -2.5452 | |
| 8 | G | B | -2.6977 | |
| 9 | G | B | -3.4669 | |
| 10 | K | B | -4.5519 | |
| 11 | G | B | -3.8851 | |
| 12 | H | B | -3.2751 | |
| 1 | F | C | 1.4452 | |
| 2 | E | C | -0.5787 | |
| 3 | F | C | -1.6869 | |
| 4 | E | C | 0.0000 | |
| 5 | F | C | 0.0000 | |
| 6 | E | C | 0.0000 | |
| 7 | G | C | 0.0000 | |
| 8 | G | C | -2.7523 | |
| 9 | G | C | 0.0000 | |
| 10 | K | C | -4.2692 | |
| 11 | G | C | -3.6396 | |
| 12 | H | C | -2.8728 | |
| 1 | F | D | 0.2016 | |
| 2 | E | D | -3.7699 | |
| 3 | F | D | 0.0000 | |
| 4 | E | D | -5.3004 | |
| 5 | F | D | 0.0000 | |
| 6 | E | D | -3.7419 | |
| 7 | G | D | -2.8699 | |
| 8 | G | D | -2.2282 | |
| 9 | G | D | -2.9958 | |
| 10 | K | D | -3.7870 | |
| 11 | G | D | -3.6361 | |
| 12 | H | D | -3.2260 | |
| 1 | F | E | 1.1169 | |
| 2 | E | E | -3.0221 | |
| 3 | F | E | 0.0000 | |
| 4 | E | E | -5.6230 | |
| 5 | F | E | 0.0000 | |
| 6 | E | E | -4.5125 | |
| 7 | G | E | 0.0000 | |
| 8 | G | E | 0.0000 | |
| 9 | G | E | -2.5600 | |
| 10 | K | E | 0.0000 | |
| 11 | G | E | -3.1776 | |
| 12 | H | E | -3.1035 | |
| 1 | F | F | 1.4369 | |
| 2 | E | F | -2.0222 | |
| 3 | F | F | 0.0000 | |
| 4 | E | F | -4.6729 | |
| 5 | F | F | 0.0000 | |
| 6 | E | F | -4.4405 | |
| 7 | G | F | -3.3001 | |
| 8 | G | F | -2.4030 | |
| 9 | G | F | -2.0586 | |
| 10 | K | F | -2.5666 | |
| 11 | G | F | -2.9176 | |
| 12 | H | F | -2.8190 | |
| 1 | F | G | 1.8453 | |
| 2 | E | G | -0.8236 | |
| 3 | F | G | 0.0000 | |
| 4 | E | G | -4.5500 | |
| 5 | F | G | 0.0000 | |
| 6 | E | G | -4.1701 | |
| 7 | G | G | -2.8696 | |
| 8 | G | G | 0.0000 | |
| 9 | G | G | -2.5143 | |
| 10 | K | G | -3.2370 | |
| 11 | G | G | -3.1938 | |
| 12 | H | G | -2.7608 | |
| 1 | F | H | 1.9849 | |
| 2 | E | H | -1.0320 | |
| 3 | F | H | -0.8891 | |
| 4 | E | H | -3.2928 | |
| 5 | F | H | -2.2361 | |
| 6 | E | H | -3.0204 | |
| 7 | G | H | 0.0000 | |
| 8 | G | H | -2.2800 | |
| 9 | G | H | -2.7546 | |
| 10 | K | H | -3.5441 | |
| 11 | G | H | -3.1549 | |
| 12 | H | H | -2.4540 |