| Chain sequence(s) |
A: SKGHKGH
C: SKGHKGH B: SKGHKGH E: SKGHKGH D: SKGHKGH G: SKGHKGH F: SKGHKGH H: SKGHKGH 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 (00:08:04)
[INFO] Main: Simulation completed successfully. (00:08:05)
|
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 | S | A | -4.7668 | |
| 2 | K | A | -4.4753 | |
| 3 | G | A | -3.7633 | |
| 4 | H | A | -5.2552 | |
| 5 | K | A | -5.6213 | |
| 6 | G | A | 0.0000 | |
| 7 | H | A | -4.2669 | |
| 1 | S | B | -4.2848 | |
| 2 | K | B | -5.2402 | |
| 3 | G | B | 0.0000 | |
| 4 | H | B | 0.0000 | |
| 5 | K | B | -6.4018 | |
| 6 | G | B | -4.2647 | |
| 7 | H | B | -4.2590 | |
| 1 | S | C | -3.6292 | |
| 2 | K | C | -5.4057 | |
| 3 | G | C | 0.0000 | |
| 4 | H | C | -5.6619 | |
| 5 | K | C | -6.2064 | |
| 6 | G | C | -4.1193 | |
| 7 | H | C | -3.7450 | |
| 1 | S | D | -2.1510 | |
| 2 | K | D | -4.6182 | |
| 3 | G | D | 0.0000 | |
| 4 | H | D | -4.2257 | |
| 5 | K | D | 0.0000 | |
| 6 | G | D | 0.0000 | |
| 7 | H | D | -3.4967 | |
| 1 | S | E | 0.0000 | |
| 2 | K | E | -4.3071 | |
| 3 | G | E | -3.6080 | |
| 4 | H | E | -3.5254 | |
| 5 | K | E | -3.2199 | |
| 6 | G | E | -2.0624 | |
| 7 | H | E | -1.6344 | |
| 1 | S | F | -2.1230 | |
| 2 | K | F | -3.8909 | |
| 3 | G | F | 0.0000 | |
| 4 | H | F | -4.5429 | |
| 5 | K | F | -5.1767 | |
| 6 | G | F | 0.0000 | |
| 7 | H | F | -4.1305 | |
| 1 | S | G | -2.2376 | |
| 2 | K | G | -3.8394 | |
| 3 | G | G | 0.0000 | |
| 4 | H | G | -4.5022 | |
| 5 | K | G | -5.2829 | |
| 6 | G | G | 0.0000 | |
| 7 | H | G | -4.2302 | |
| 1 | S | H | -3.8228 | |
| 2 | K | H | -3.6111 | |
| 3 | G | H | -4.1683 | |
| 4 | H | H | -4.7766 | |
| 5 | K | H | -4.2212 | |
| 6 | G | H | -3.1647 | |
| 7 | H | H | -3.3965 |