| Chain sequence(s) |
A: FFGHKGG
C: FFGHKGG B: FFGHKGG E: FFGHKGG D: FFGHKGG G: FFGHKGG F: FFGHKGG H: FFGHKGG 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 (00:00:46)
[INFO] Main: Simulation completed successfully. (00:00:48)
|
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 | 4.3632 | |
| 2 | F | A | 1.8968 | |
| 3 | G | A | -0.6537 | |
| 4 | H | A | -1.8288 | |
| 5 | K | A | -3.0300 | |
| 6 | G | A | -1.8601 | |
| 7 | G | A | -1.3525 | |
| 1 | F | B | 4.3149 | |
| 2 | F | B | 2.3686 | |
| 3 | G | B | -0.7067 | |
| 4 | H | B | -1.9172 | |
| 5 | K | B | -3.0194 | |
| 6 | G | B | -1.8493 | |
| 7 | G | B | -1.3676 | |
| 1 | F | C | 4.8128 | |
| 2 | F | C | 3.3214 | |
| 3 | G | C | 0.3475 | |
| 4 | H | C | -1.1259 | |
| 5 | K | C | -2.4513 | |
| 6 | G | C | -1.8212 | |
| 7 | G | C | -1.3511 | |
| 1 | F | D | 5.5130 | |
| 2 | F | D | 3.1589 | |
| 3 | G | D | 0.5400 | |
| 4 | H | D | -1.2639 | |
| 5 | K | D | -2.5204 | |
| 6 | G | D | -1.8195 | |
| 7 | G | D | -1.2661 | |
| 1 | F | E | 5.1263 | |
| 2 | F | E | 2.5750 | |
| 3 | G | E | -0.0578 | |
| 4 | H | E | -1.4492 | |
| 5 | K | E | -2.5320 | |
| 6 | G | E | -1.8147 | |
| 7 | G | E | -1.3790 | |
| 1 | F | F | 4.7910 | |
| 2 | F | F | 3.2539 | |
| 3 | G | F | 0.6567 | |
| 4 | H | F | -1.2618 | |
| 5 | K | F | -2.3437 | |
| 6 | G | F | -1.8389 | |
| 7 | G | F | -1.2729 | |
| 1 | F | G | 5.4813 | |
| 2 | F | G | 2.6592 | |
| 3 | G | G | 0.4113 | |
| 4 | H | G | -1.3545 | |
| 5 | K | G | -2.6480 | |
| 6 | G | G | -1.9242 | |
| 7 | G | G | -1.4714 | |
| 1 | F | H | 5.0032 | |
| 2 | F | H | 2.1544 | |
| 3 | G | H | 0.3035 | |
| 4 | H | H | -1.3245 | |
| 5 | K | H | -2.8137 | |
| 6 | G | H | -1.8399 | |
| 7 | G | H | -1.3200 |