| Chain sequence(s) |
A: FFGHKGG
C: FFGHKGG B: FFGHKGG E: FFGHKGG D: FFGHKGG G: FFGHKGG F: FFGHKGG I: FFGHKGG H: FFGHKGG K: FFGHKGG J: FFGHKGG M: FFGHKGG L: FFGHKGG O: FFGHKGG N: FFGHKGG Q: FFGHKGG P: FFGHKGG S: FFGHKGG R: FFGHKGG T: FFGHKGG input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T |
| 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 (00:04:35)
[INFO] Main: Simulation completed successfully. (00:04:39)
|
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 | 1.3371 | |
| 2 | F | A | 1.9253 | |
| 3 | G | A | 0.0000 | |
| 4 | H | A | -0.8996 | |
| 5 | K | A | -1.5730 | |
| 6 | G | A | -1.7647 | |
| 7 | G | A | -1.5217 | |
| 1 | F | B | 2.5050 | |
| 2 | F | B | 2.9366 | |
| 3 | G | B | 0.6728 | |
| 4 | H | B | -1.6368 | |
| 5 | K | B | -2.5839 | |
| 6 | G | B | -2.4396 | |
| 7 | G | B | -2.0101 | |
| 1 | F | C | 2.9669 | |
| 2 | F | C | 2.8608 | |
| 3 | G | C | 0.0000 | |
| 4 | H | C | 0.0000 | |
| 5 | K | C | -1.5696 | |
| 6 | G | C | -1.5978 | |
| 7 | G | C | -1.4655 | |
| 1 | F | D | 2.3728 | |
| 2 | F | D | 2.1925 | |
| 3 | G | D | 0.0000 | |
| 4 | H | D | 0.0000 | |
| 5 | K | D | -1.5358 | |
| 6 | G | D | -1.7004 | |
| 7 | G | D | -1.2873 | |
| 1 | F | E | 1.7432 | |
| 2 | F | E | 1.5859 | |
| 3 | G | E | 0.0000 | |
| 4 | H | E | 0.0000 | |
| 5 | K | E | -1.4898 | |
| 6 | G | E | -1.3469 | |
| 7 | G | E | -1.0827 | |
| 1 | F | F | 2.2971 | |
| 2 | F | F | 1.6135 | |
| 3 | G | F | 0.0000 | |
| 4 | H | F | 0.0000 | |
| 5 | K | F | -1.0964 | |
| 6 | G | F | -1.2987 | |
| 7 | G | F | -1.2275 | |
| 1 | F | G | 1.7201 | |
| 2 | F | G | 1.3903 | |
| 3 | G | G | 0.0000 | |
| 4 | H | G | 0.0000 | |
| 5 | K | G | -1.2225 | |
| 6 | G | G | -1.3725 | |
| 7 | G | G | -1.1259 | |
| 1 | F | H | 1.7429 | |
| 2 | F | H | 1.2959 | |
| 3 | G | H | 0.0000 | |
| 4 | H | H | 0.0000 | |
| 5 | K | H | -1.4470 | |
| 6 | G | H | -1.4991 | |
| 7 | G | H | -0.9719 | |
| 1 | F | I | 2.3555 | |
| 2 | F | I | 2.0233 | |
| 3 | G | I | 0.0000 | |
| 4 | H | I | 0.0000 | |
| 5 | K | I | -2.1193 | |
| 6 | G | I | -1.9507 | |
| 7 | G | I | -1.3502 | |
| 1 | F | J | 2.7885 | |
| 2 | F | J | 2.2035 | |
| 3 | G | J | 0.0000 | |
| 4 | H | J | 0.0000 | |
| 5 | K | J | -2.1224 | |
| 6 | G | J | -2.0127 | |
| 7 | G | J | -1.2114 | |
| 1 | F | K | 3.2209 | |
| 2 | F | K | 3.1278 | |
| 3 | G | K | 0.5046 | |
| 4 | H | K | -1.0702 | |
| 5 | K | K | -1.5625 | |
| 6 | G | K | -1.8691 | |
| 7 | G | K | -1.2981 | |
| 1 | F | L | 3.0633 | |
| 2 | F | L | 2.6777 | |
| 3 | G | L | 0.0000 | |
| 4 | H | L | 0.0000 | |
| 5 | K | L | -1.5185 | |
| 6 | G | L | -1.8181 | |
| 7 | G | L | -1.3635 | |
| 1 | F | M | 3.0728 | |
| 2 | F | M | 2.6304 | |
| 3 | G | M | 0.0000 | |
| 4 | H | M | 0.0000 | |
| 5 | K | M | -1.0611 | |
| 6 | G | M | -1.4823 | |
| 7 | G | M | -1.2814 | |
| 1 | F | N | 3.1049 | |
| 2 | F | N | 3.0912 | |
| 3 | G | N | 0.0000 | |
| 4 | H | N | 0.0000 | |
| 5 | K | N | -0.9004 | |
| 6 | G | N | -1.4099 | |
| 7 | G | N | -1.2618 | |
| 1 | F | O | 3.0412 | |
| 2 | F | O | 2.9693 | |
| 3 | G | O | 0.0000 | |
| 4 | H | O | 0.0000 | |
| 5 | K | O | -1.0175 | |
| 6 | G | O | -1.3777 | |
| 7 | G | O | -1.2170 | |
| 1 | F | P | 3.2171 | |
| 2 | F | P | 2.4171 | |
| 3 | G | P | 0.0000 | |
| 4 | H | P | 0.0000 | |
| 5 | K | P | -1.2889 | |
| 6 | G | P | -1.4865 | |
| 7 | G | P | -1.1745 | |
| 1 | F | Q | 2.5321 | |
| 2 | F | Q | 2.2142 | |
| 3 | G | Q | 0.0000 | |
| 4 | H | Q | 0.0000 | |
| 5 | K | Q | -1.3445 | |
| 6 | G | Q | -1.4740 | |
| 7 | G | Q | -1.1714 | |
| 1 | F | R | 2.1179 | |
| 2 | F | R | 2.1847 | |
| 3 | G | R | 0.0000 | |
| 4 | H | R | 0.0000 | |
| 5 | K | R | -1.2565 | |
| 6 | G | R | -1.4749 | |
| 7 | G | R | -0.9768 | |
| 1 | F | S | 1.7202 | |
| 2 | F | S | 0.9148 | |
| 3 | G | S | 0.0000 | |
| 4 | H | S | 0.0000 | |
| 5 | K | S | -0.8195 | |
| 6 | G | S | -0.8283 | |
| 7 | G | S | -0.3565 | |
| 1 | F | T | 2.9934 | |
| 2 | F | T | 2.9709 | |
| 3 | G | T | 0.3544 | |
| 4 | H | T | -1.5302 | |
| 5 | K | T | -2.5473 | |
| 6 | G | T | -2.1210 | |
| 7 | G | T | -1.5951 |