| 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 (00:01:24)
[INFO] Main: Simulation completed successfully. (00:01:25)
|
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 | -4.4819 | |
| 2 | K | A | -4.3318 | |
| 3 | G | A | -3.2642 | |
| 4 | H | A | -3.1254 | |
| 5 | K | A | -3.1208 | |
| 6 | G | A | -2.9512 | |
| 7 | H | A | -3.7560 | |
| 1 | K | B | -2.6171 | |
| 2 | K | B | -3.3384 | |
| 3 | G | B | -3.1650 | |
| 4 | H | B | -3.2205 | |
| 5 | K | B | -2.7105 | |
| 6 | G | B | -2.1307 | |
| 7 | H | B | -1.6739 | |
| 1 | K | C | -2.7816 | |
| 2 | K | C | -3.4305 | |
| 3 | G | C | -2.9053 | |
| 4 | H | C | -3.5951 | |
| 5 | K | C | -3.5699 | |
| 6 | G | C | -2.5523 | |
| 7 | H | C | -1.8714 | |
| 1 | K | D | -2.8800 | |
| 2 | K | D | -3.2950 | |
| 3 | G | D | -3.0736 | |
| 4 | H | D | -3.3071 | |
| 5 | K | D | -3.3710 | |
| 6 | G | D | -2.9114 | |
| 7 | H | D | -1.7218 | |
| 1 | K | E | -2.7212 | |
| 2 | K | E | -3.2969 | |
| 3 | G | E | -2.7677 | |
| 4 | H | E | -2.9455 | |
| 5 | K | E | -2.8901 | |
| 6 | G | E | -1.8808 | |
| 7 | H | E | -1.5488 | |
| 1 | K | F | -2.9859 | |
| 2 | K | F | -3.5456 | |
| 3 | G | F | -3.6199 | |
| 4 | H | F | -4.0366 | |
| 5 | K | F | -3.6762 | |
| 6 | G | F | -3.1070 | |
| 7 | H | F | -2.9675 | |
| 1 | K | G | -3.0009 | |
| 2 | K | G | -3.9106 | |
| 3 | G | G | -3.1901 | |
| 4 | H | G | -2.9877 | |
| 5 | K | G | -3.2202 | |
| 6 | G | G | -2.0865 | |
| 7 | H | G | -1.7005 | |
| 1 | K | H | -3.7617 | |
| 2 | K | H | -3.5030 | |
| 3 | G | H | -2.6613 | |
| 4 | H | H | -3.6770 | |
| 5 | K | H | -4.0816 | |
| 6 | G | H | -3.3035 | |
| 7 | H | H | -4.2743 |