| Chain sequence(s) |
A: KKGHKGH
C: KKGHKGH B: KKGHKGH E: KKGHKGH D: KKGHKGH G: KKGHKGH F: KKGHKGH H: KKGHKGH 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 (00:04:23)
[INFO] Main: Simulation completed successfully. (00:04:25)
|
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 | K | A | -3.8078 | |
| 2 | K | A | -3.9883 | |
| 3 | G | A | -3.0296 | |
| 4 | H | A | -2.8680 | |
| 5 | K | A | -2.8170 | |
| 6 | G | A | -1.8369 | |
| 7 | H | A | -1.9073 | |
| 1 | K | B | -3.8614 | |
| 2 | K | B | -4.2030 | |
| 3 | G | B | -3.0651 | |
| 4 | H | B | -3.0040 | |
| 5 | K | B | -3.1448 | |
| 6 | G | B | -2.0980 | |
| 7 | H | B | -1.9521 | |
| 1 | K | C | -4.2908 | |
| 2 | K | C | -4.4305 | |
| 3 | G | C | -3.3354 | |
| 4 | H | C | 0.0000 | |
| 5 | K | C | -2.4882 | |
| 6 | G | C | -1.9875 | |
| 7 | H | C | -2.0573 | |
| 1 | K | D | -4.4898 | |
| 2 | K | D | -3.9711 | |
| 3 | G | D | -3.2978 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | -2.1508 | |
| 6 | G | D | -1.6977 | |
| 7 | H | D | -2.1227 | |
| 1 | K | E | -3.8241 | |
| 2 | K | E | -3.8509 | |
| 3 | G | E | -2.9877 | |
| 4 | H | E | -2.7115 | |
| 5 | K | E | -2.3171 | |
| 6 | G | E | -1.5837 | |
| 7 | H | E | -1.8661 | |
| 1 | K | F | -3.6643 | |
| 2 | K | F | -3.8686 | |
| 3 | G | F | -3.0128 | |
| 4 | H | F | -3.1492 | |
| 5 | K | F | -3.0037 | |
| 6 | G | F | -2.2860 | |
| 7 | H | F | -2.1573 | |
| 1 | K | G | -4.2761 | |
| 2 | K | G | -4.0143 | |
| 3 | G | G | -3.3050 | |
| 4 | H | G | 0.0000 | |
| 5 | K | G | -2.5731 | |
| 6 | G | G | -2.1074 | |
| 7 | H | G | -2.3788 | |
| 1 | K | H | -4.1887 | |
| 2 | K | H | -4.1740 | |
| 3 | G | H | -3.2443 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | -2.3024 | |
| 6 | G | H | -1.9905 | |
| 7 | H | H | -2.2729 |