| Chain sequence(s) |
A: FFGHKFG
C: FFGHKFG B: FFGHKFG E: FFGHKFG D: FFGHKFG G: FFGHKFG F: FFGHKFG H: FFGHKFG 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 (00:01:55)
[INFO] Main: Simulation completed successfully. (00:01:57)
|
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 | 3.6733 | |
| 2 | F | A | 2.8414 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | 0.0000 | |
| 5 | K | A | -2.2763 | |
| 6 | F | A | 0.0000 | |
| 7 | G | A | -1.3407 | |
| 1 | F | B | 3.4755 | |
| 2 | F | B | 2.9095 | |
| 3 | G | B | 0.5038 | |
| 4 | H | B | -1.0332 | |
| 5 | K | B | -2.2713 | |
| 6 | F | B | -0.8847 | |
| 7 | G | B | -0.9611 | |
| 1 | F | C | 3.2774 | |
| 2 | F | C | 2.2406 | |
| 3 | G | C | 0.2561 | |
| 4 | H | C | -1.1806 | |
| 5 | K | C | -2.4410 | |
| 6 | F | C | -1.0602 | |
| 7 | G | C | -1.1631 | |
| 1 | F | D | 3.9362 | |
| 2 | F | D | 2.7867 | |
| 3 | G | D | 0.6659 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | -2.5951 | |
| 6 | F | D | 0.0000 | |
| 7 | G | D | -1.5091 | |
| 1 | F | E | 4.3510 | |
| 2 | F | E | 3.1183 | |
| 3 | G | E | 0.9590 | |
| 4 | H | E | 0.0000 | |
| 5 | K | E | -2.2140 | |
| 6 | F | E | 0.0000 | |
| 7 | G | E | -1.1651 | |
| 1 | F | F | 3.8873 | |
| 2 | F | F | 3.4367 | |
| 3 | G | F | 0.9860 | |
| 4 | H | F | -0.8344 | |
| 5 | K | F | -1.8521 | |
| 6 | F | F | -0.0967 | |
| 7 | G | F | -0.5510 | |
| 1 | F | G | 3.7418 | |
| 2 | F | G | 3.3562 | |
| 3 | G | G | 1.0610 | |
| 4 | H | G | -0.7450 | |
| 5 | K | G | -1.9489 | |
| 6 | F | G | -0.5981 | |
| 7 | G | G | -0.8202 | |
| 1 | F | H | 4.0056 | |
| 2 | F | H | 3.0567 | |
| 3 | G | H | 0.0000 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | -2.1172 | |
| 6 | F | H | 0.0000 | |
| 7 | G | H | -1.2688 |