| Chain sequence(s) |
A: FEFEFEGGKGH
C: FEFEFEGGKGH B: FEFEFEGGKGH E: FEFEFEGGKGH D: FEFEFEGGKGH G: FEFEFEGGKGH F: FEFEFEGGKGH I: FEFEFEGGKGH H: FEFEFEGGKGH K: FEFEFEGGKGH J: FEFEFEGGKGH L: FEFEFEGGKGH input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,I,H,K,J,L |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:36)
[INFO] Main: Simulation completed successfully. (00:06:40)
|
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 | 0.2366 | |
| 2 | E | A | -2.3122 | |
| 3 | F | A | -2.2509 | |
| 4 | E | A | -4.0634 | |
| 5 | F | A | -3.1071 | |
| 6 | E | A | -3.5749 | |
| 7 | G | A | 0.0000 | |
| 8 | G | A | -2.5906 | |
| 9 | K | A | -2.5520 | |
| 10 | G | A | -2.3573 | |
| 11 | H | A | -2.1391 | |
| 1 | F | B | 0.7954 | |
| 2 | E | B | -2.1516 | |
| 3 | F | B | -2.2409 | |
| 4 | E | B | -4.0691 | |
| 5 | F | B | -2.9007 | |
| 6 | E | B | -3.7622 | |
| 7 | G | B | -2.7116 | |
| 8 | G | B | -2.8512 | |
| 9 | K | B | -3.0121 | |
| 10 | G | B | -2.5746 | |
| 11 | H | B | -2.4283 | |
| 1 | F | C | 0.6463 | |
| 2 | E | C | -2.1584 | |
| 3 | F | C | -2.2159 | |
| 4 | E | C | -4.1558 | |
| 5 | F | C | -3.4103 | |
| 6 | E | C | -4.1450 | |
| 7 | G | C | -2.9195 | |
| 8 | G | C | -3.1103 | |
| 9 | K | C | -3.2780 | |
| 10 | G | C | -2.7726 | |
| 11 | H | C | -2.3719 | |
| 1 | F | D | 0.2027 | |
| 2 | E | D | -2.4570 | |
| 3 | F | D | 0.0000 | |
| 4 | E | D | -4.3150 | |
| 5 | F | D | -3.3888 | |
| 6 | E | D | -4.2728 | |
| 7 | G | D | -2.9297 | |
| 8 | G | D | -2.8895 | |
| 9 | K | D | -2.8113 | |
| 10 | G | D | -2.4197 | |
| 11 | H | D | -2.1219 | |
| 1 | F | E | 0.0780 | |
| 2 | E | E | -2.5621 | |
| 3 | F | E | 0.0000 | |
| 4 | E | E | -4.2975 | |
| 5 | F | E | -3.3659 | |
| 6 | E | E | -4.0763 | |
| 7 | G | E | -2.7954 | |
| 8 | G | E | -2.7034 | |
| 9 | K | E | -2.6364 | |
| 10 | G | E | -2.2719 | |
| 11 | H | E | -2.0560 | |
| 1 | F | F | 0.2868 | |
| 2 | E | F | -2.3894 | |
| 3 | F | F | -2.4300 | |
| 4 | E | F | -4.2555 | |
| 5 | F | F | -3.3282 | |
| 6 | E | F | -3.8410 | |
| 7 | G | F | 0.0000 | |
| 8 | G | F | -2.6815 | |
| 9 | K | F | -2.3491 | |
| 10 | G | F | -2.1027 | |
| 11 | H | F | -2.0006 | |
| 1 | F | G | 0.9366 | |
| 2 | E | G | -2.0058 | |
| 3 | F | G | 0.0000 | |
| 4 | E | G | -4.1483 | |
| 5 | F | G | -3.3404 | |
| 6 | E | G | -4.0797 | |
| 7 | G | G | -2.7975 | |
| 8 | G | G | -2.8505 | |
| 9 | K | G | -2.6923 | |
| 10 | G | G | -2.4434 | |
| 11 | H | G | -2.2032 | |
| 1 | F | H | 0.9985 | |
| 2 | E | H | -1.9027 | |
| 3 | F | H | -2.0718 | |
| 4 | E | H | -4.1481 | |
| 5 | F | H | -3.4278 | |
| 6 | E | H | -4.0668 | |
| 7 | G | H | 0.0000 | |
| 8 | G | H | -3.2610 | |
| 9 | K | H | -3.2800 | |
| 10 | G | H | -2.7558 | |
| 11 | H | H | -2.3959 | |
| 1 | F | I | 0.4287 | |
| 2 | E | I | -2.1868 | |
| 3 | F | I | -2.2318 | |
| 4 | E | I | -4.2088 | |
| 5 | F | I | -3.3442 | |
| 6 | E | I | -4.3518 | |
| 7 | G | I | 0.0000 | |
| 8 | G | I | -3.2739 | |
| 9 | K | I | -3.5175 | |
| 10 | G | I | -2.7999 | |
| 11 | H | I | -2.4787 | |
| 1 | F | J | 0.2517 | |
| 2 | E | J | -2.3615 | |
| 3 | F | J | -2.3471 | |
| 4 | E | J | -4.2471 | |
| 5 | F | J | -3.3419 | |
| 6 | E | J | -4.3117 | |
| 7 | G | J | -3.0632 | |
| 8 | G | J | -3.0346 | |
| 9 | K | J | -3.0098 | |
| 10 | G | J | -2.5136 | |
| 11 | H | J | -2.1490 | |
| 1 | F | K | 0.6360 | |
| 2 | E | K | -2.2462 | |
| 3 | F | K | 0.0000 | |
| 4 | E | K | -4.3561 | |
| 5 | F | K | -3.3042 | |
| 6 | E | K | -4.2733 | |
| 7 | G | K | -2.8761 | |
| 8 | G | K | -2.7510 | |
| 9 | K | K | -2.6137 | |
| 10 | G | K | -2.2703 | |
| 11 | H | K | -2.0640 | |
| 1 | F | L | 0.8293 | |
| 2 | E | L | -2.0861 | |
| 3 | F | L | 0.0000 | |
| 4 | E | L | -4.0667 | |
| 5 | F | L | -3.4748 | |
| 6 | E | L | -4.0043 | |
| 7 | G | L | 0.0000 | |
| 8 | G | L | -2.5941 | |
| 9 | K | L | -2.4583 | |
| 10 | G | L | -2.2368 | |
| 11 | H | L | -2.0217 |