| Chain sequence(s) |
A: GGGGSGGGGSGGGGS
C: GGGGSGGGGSGGGGS B: GGGGSGGGGSGGGGS E: GGGGSGGGGSGGGGS D: GGGGSGGGGSGGGGS G: GGGGSGGGGSGGGGS F: GGGGSGGGGSGGGGS I: GGGGSGGGGSGGGGS H: GGGGSGGGGSGGGGS K: GGGGSGGGGSGGGGS J: GGGGSGGGGSGGGGS M: GGGGSGGGGSGGGGS L: GGGGSGGGGSGGGGS O: GGGGSGGGGSGGGGS N: GGGGSGGGGSGGGGS Q: GGGGSGGGGSGGGGS P: GGGGSGGGGSGGGGS S: GGGGSGGGGSGGGGS R: GGGGSGGGGSGGGGS T: GGGGSGGGGSGGGGS 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 (00:00:07)
[INFO] Main: Simulation completed successfully. (00:00:12)
|
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 | G | A | -1.0663 | |
| 2 | G | A | -1.0222 | |
| 3 | G | A | 0.0000 | |
| 4 | G | A | -0.7911 | |
| 5 | S | A | 0.0000 | |
| 6 | G | A | -0.5460 | |
| 7 | G | A | -0.6785 | |
| 8 | G | A | 0.0000 | |
| 9 | G | A | -0.7710 | |
| 10 | S | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | G | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | S | A | -1.3018 | |
| 1 | G | B | -1.0303 | |
| 2 | G | B | 0.0000 | |
| 3 | G | B | 0.0000 | |
| 4 | G | B | 0.0000 | |
| 5 | S | B | 0.0000 | |
| 6 | G | B | 0.0000 | |
| 7 | G | B | 0.0000 | |
| 8 | G | B | 0.0000 | |
| 9 | G | B | 0.0000 | |
| 10 | S | B | 0.0000 | |
| 11 | G | B | 0.0000 | |
| 12 | G | B | 0.0000 | |
| 13 | G | B | 0.0000 | |
| 14 | G | B | 0.0000 | |
| 15 | S | B | -1.1574 | |
| 1 | G | C | -1.1437 | |
| 2 | G | C | -1.1560 | |
| 3 | G | C | -0.9294 | |
| 4 | G | C | -0.6117 | |
| 5 | S | C | -0.6478 | |
| 6 | G | C | -0.6944 | |
| 7 | G | C | -0.9254 | |
| 8 | G | C | -0.9602 | |
| 9 | G | C | -0.6179 | |
| 10 | S | C | -0.6472 | |
| 11 | G | C | -0.7334 | |
| 12 | G | C | -0.8453 | |
| 13 | G | C | -1.1084 | |
| 14 | G | C | -1.0603 | |
| 15 | S | C | -0.8882 | |
| 1 | G | D | -1.1494 | |
| 2 | G | D | -1.1490 | |
| 3 | G | D | -1.1336 | |
| 4 | G | D | 0.0000 | |
| 5 | S | D | -0.7715 | |
| 6 | G | D | 0.0000 | |
| 7 | G | D | -1.0465 | |
| 8 | G | D | -1.0981 | |
| 9 | G | D | 0.0000 | |
| 10 | S | D | -0.8550 | |
| 11 | G | D | -0.9463 | |
| 12 | G | D | -1.0327 | |
| 13 | G | D | -1.2757 | |
| 14 | G | D | -1.2519 | |
| 15 | S | D | -1.0157 | |
| 1 | G | E | -1.0822 | |
| 2 | G | E | -1.1249 | |
| 3 | G | E | -1.1341 | |
| 4 | G | E | -1.2310 | |
| 5 | S | E | -0.9689 | |
| 6 | G | E | -1.0194 | |
| 7 | G | E | -1.1069 | |
| 8 | G | E | -1.0926 | |
| 9 | G | E | -1.2535 | |
| 10 | S | E | -0.9197 | |
| 11 | G | E | -0.9542 | |
| 12 | G | E | -0.9650 | |
| 13 | G | E | -1.0531 | |
| 14 | G | E | -1.0584 | |
| 15 | S | E | -0.8248 | |
| 1 | G | F | -1.1688 | |
| 2 | G | F | 0.0000 | |
| 3 | G | F | 0.0000 | |
| 4 | G | F | 0.0000 | |
| 5 | S | F | 0.0000 | |
| 6 | G | F | 0.0000 | |
| 7 | G | F | 0.0000 | |
| 8 | G | F | -1.1539 | |
| 9 | G | F | -1.1537 | |
| 10 | S | F | 0.0000 | |
| 11 | G | F | -0.9069 | |
| 12 | G | F | 0.0000 | |
| 13 | G | F | -1.1631 | |
| 14 | G | F | -1.1993 | |
| 15 | S | F | -1.0410 | |
| 1 | G | G | -1.0756 | |
| 2 | G | G | -1.0904 | |
| 3 | G | G | -1.0997 | |
| 4 | G | G | -1.1850 | |
| 5 | S | G | -0.8985 | |
| 6 | G | G | -1.0253 | |
| 7 | G | G | -1.0670 | |
| 8 | G | G | -1.0341 | |
| 9 | G | G | -1.1319 | |
| 10 | S | G | -0.9642 | |
| 11 | G | G | -0.9862 | |
| 12 | G | G | -0.9475 | |
| 13 | G | G | -1.0856 | |
| 14 | G | G | -1.0020 | |
| 15 | S | G | -0.8495 | |
| 1 | G | H | -1.1919 | |
| 2 | G | H | 0.0000 | |
| 3 | G | H | -1.0296 | |
| 4 | G | H | -0.8507 | |
| 5 | S | H | 0.0000 | |
| 6 | G | H | -0.7770 | |
| 7 | G | H | -0.8909 | |
| 8 | G | H | -0.8967 | |
| 9 | G | H | -0.8185 | |
| 10 | S | H | -0.8134 | |
| 11 | G | H | -0.7894 | |
| 12 | G | H | -0.7722 | |
| 13 | G | H | 0.0000 | |
| 14 | G | H | -0.9342 | |
| 15 | S | H | -0.8872 | |
| 1 | G | I | -1.2906 | |
| 2 | G | I | 0.0000 | |
| 3 | G | I | -0.8561 | |
| 4 | G | I | -0.5992 | |
| 5 | S | I | 0.0000 | |
| 6 | G | I | -0.5639 | |
| 7 | G | I | -0.6805 | |
| 8 | G | I | -0.7113 | |
| 9 | G | I | -0.6102 | |
| 10 | S | I | -0.6440 | |
| 11 | G | I | -0.6291 | |
| 12 | G | I | -0.6556 | |
| 13 | G | I | 0.0000 | |
| 14 | G | I | -0.8680 | |
| 15 | S | I | -0.8712 | |
| 1 | G | J | -1.5391 | |
| 2 | G | J | 0.0000 | |
| 3 | G | J | -0.8580 | |
| 4 | G | J | -0.6669 | |
| 5 | S | J | 0.0000 | |
| 6 | G | J | -0.6460 | |
| 7 | G | J | -0.6863 | |
| 8 | G | J | -0.6132 | |
| 9 | G | J | -0.6645 | |
| 10 | S | J | 0.0000 | |
| 11 | G | J | -0.6020 | |
| 12 | G | J | -0.7781 | |
| 13 | G | J | 0.0000 | |
| 14 | G | J | -0.8569 | |
| 15 | S | J | -0.8589 | |
| 1 | G | K | -1.5611 | |
| 2 | G | K | -1.3925 | |
| 3 | G | K | -1.0931 | |
| 4 | G | K | 0.0000 | |
| 5 | S | K | -0.5755 | |
| 6 | G | K | 0.0000 | |
| 7 | G | K | -0.8171 | |
| 8 | G | K | -0.8602 | |
| 9 | G | K | 0.0000 | |
| 10 | S | K | -0.6073 | |
| 11 | G | K | 0.0000 | |
| 12 | G | K | -0.8466 | |
| 13 | G | K | -0.9926 | |
| 14 | G | K | -0.9907 | |
| 15 | S | K | -0.9308 | |
| 1 | G | L | -1.6500 | |
| 2 | G | L | 0.0000 | |
| 3 | G | L | -1.1439 | |
| 4 | G | L | -0.8898 | |
| 5 | S | L | 0.0000 | |
| 6 | G | L | -0.7635 | |
| 7 | G | L | 0.0000 | |
| 8 | G | L | -0.7837 | |
| 9 | G | L | -0.7799 | |
| 10 | S | L | 0.0000 | |
| 11 | G | L | -0.6572 | |
| 12 | G | L | -0.8855 | |
| 13 | G | L | 0.0000 | |
| 14 | G | L | -0.9936 | |
| 15 | S | L | -0.9798 | |
| 1 | G | M | -1.4251 | |
| 2 | G | M | -1.4592 | |
| 3 | G | M | -1.2183 | |
| 4 | G | M | -0.6893 | |
| 5 | S | M | -0.7117 | |
| 6 | G | M | -0.8037 | |
| 7 | G | M | -0.9483 | |
| 8 | G | M | -0.9417 | |
| 9 | G | M | -0.7238 | |
| 10 | S | M | -0.7006 | |
| 11 | G | M | -0.8141 | |
| 12 | G | M | -0.9035 | |
| 13 | G | M | -1.0859 | |
| 14 | G | M | -1.0999 | |
| 15 | S | M | -0.8623 | |
| 1 | G | N | -1.2271 | |
| 2 | G | N | -1.2264 | |
| 3 | G | N | 0.0000 | |
| 4 | G | N | -0.9160 | |
| 5 | S | N | -0.7599 | |
| 6 | G | N | -0.6324 | |
| 7 | G | N | -0.8023 | |
| 8 | G | N | 0.0000 | |
| 9 | G | N | -0.8252 | |
| 10 | S | N | -0.7862 | |
| 11 | G | N | 0.0000 | |
| 12 | G | N | -0.7702 | |
| 13 | G | N | -1.1413 | |
| 14 | G | N | 0.0000 | |
| 15 | S | N | -1.3339 | |
| 1 | G | O | -1.1246 | |
| 2 | G | O | -1.2357 | |
| 3 | G | O | 0.0000 | |
| 4 | G | O | -0.7507 | |
| 5 | S | O | -0.7603 | |
| 6 | G | O | 0.0000 | |
| 7 | G | O | -0.8633 | |
| 8 | G | O | -0.9296 | |
| 9 | G | O | -0.8094 | |
| 10 | S | O | -0.7064 | |
| 11 | G | O | 0.0000 | |
| 12 | G | O | -0.9037 | |
| 13 | G | O | -1.2292 | |
| 14 | G | O | 0.0000 | |
| 15 | S | O | -1.2244 | |
| 1 | G | P | -1.2178 | |
| 2 | G | P | -1.1486 | |
| 3 | G | P | -1.0902 | |
| 4 | G | P | 0.0000 | |
| 5 | S | P | -0.6580 | |
| 6 | G | P | -0.7045 | |
| 7 | G | P | -0.7850 | |
| 8 | G | P | -0.8728 | |
| 9 | G | P | -0.8617 | |
| 10 | S | P | -0.6212 | |
| 11 | G | P | -0.7685 | |
| 12 | G | P | 0.0000 | |
| 13 | G | P | -1.0501 | |
| 14 | G | P | -1.3417 | |
| 15 | S | P | -1.0753 | |
| 1 | G | Q | -1.6168 | |
| 2 | G | Q | -1.4723 | |
| 3 | G | Q | -1.2688 | |
| 4 | G | Q | 0.0000 | |
| 5 | S | Q | -0.7970 | |
| 6 | G | Q | -0.9172 | |
| 7 | G | Q | -1.0281 | |
| 8 | G | Q | -0.9705 | |
| 9 | G | Q | -1.0302 | |
| 10 | S | Q | -0.8161 | |
| 11 | G | Q | -0.8630 | |
| 12 | G | Q | 0.0000 | |
| 13 | G | Q | -1.1946 | |
| 14 | G | Q | -1.2721 | |
| 15 | S | Q | -0.9871 | |
| 1 | G | R | -1.5947 | |
| 2 | G | R | -1.7256 | |
| 3 | G | R | 0.0000 | |
| 4 | G | R | -1.1141 | |
| 5 | S | R | -0.9887 | |
| 6 | G | R | -0.9840 | |
| 7 | G | R | -1.2323 | |
| 8 | G | R | 0.0000 | |
| 9 | G | R | -1.0392 | |
| 10 | S | R | -0.9804 | |
| 11 | G | R | -0.8685 | |
| 12 | G | R | -1.1159 | |
| 13 | G | R | -1.3167 | |
| 14 | G | R | -1.2148 | |
| 15 | S | R | -0.9533 | |
| 1 | G | S | -1.4244 | |
| 2 | G | S | -1.5880 | |
| 3 | G | S | -1.4703 | |
| 4 | G | S | -1.1478 | |
| 5 | S | S | -1.0440 | |
| 6 | G | S | -1.0181 | |
| 7 | G | S | -1.2041 | |
| 8 | G | S | -1.3138 | |
| 9 | G | S | -1.0367 | |
| 10 | S | S | -0.9905 | |
| 11 | G | S | -1.0460 | |
| 12 | G | S | -1.1426 | |
| 13 | G | S | -1.3048 | |
| 14 | G | S | -1.1318 | |
| 15 | S | S | -0.7795 | |
| 1 | G | T | -1.5980 | |
| 2 | G | T | -1.5654 | |
| 3 | G | T | -1.5379 | |
| 4 | G | T | 0.0000 | |
| 5 | S | T | -0.9305 | |
| 6 | G | T | -1.1120 | |
| 7 | G | T | -1.1941 | |
| 8 | G | T | -1.3288 | |
| 9 | G | T | -1.1571 | |
| 10 | S | T | -0.9170 | |
| 11 | G | T | -1.0895 | |
| 12 | G | T | -1.1956 | |
| 13 | G | T | -1.2583 | |
| 14 | G | T | -1.2869 | |
| 15 | S | T | -0.8551 |