| Chain sequence(s) |
A: NESISTAVIDAINSGATLKDINAIPDDMMDDIYSYAYDFYNKGRIEEAEVFFRFLCIYDFYNVDYIMGLAAIYQIKEQFQQAADLYAVAFALGKNDYTPVFHTGQCQLRLKAPLKAKECFELVIQHSNDEKLKIKAQSYLDAIQ
P: SNILIPELKAPKS B: SISTAVIDAINSGATLKDINAIPDDMMDDIYSYAYDFYNKGRIEEAEVFFRFLCIYDFYNVDYIMGLAAIYQIKEQFQQAADLYAVAFALGKNDYTPVFHTGQCQLRLKAPLKAKECFELVIQHSNDEKLKIKAQSYLDAIQ Q: LIPELKAPKS input PDB |
| Selected Chain(s) | A,P,B,Q |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:03)
|
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 | |
| 8 | N | A | -2.2828 | |
| 9 | E | A | -2.7527 | |
| 10 | S | A | -1.3418 | |
| 11 | I | A | -0.5919 | |
| 12 | S | A | 0.0000 | |
| 13 | T | A | -1.0391 | |
| 14 | A | A | -1.0593 | |
| 15 | V | A | 0.0000 | |
| 16 | I | A | 0.0000 | |
| 17 | D | A | -2.2560 | |
| 18 | A | A | 0.0000 | |
| 19 | I | A | 0.0000 | |
| 20 | N | A | -1.6489 | |
| 21 | S | A | -1.1784 | |
| 22 | G | A | 0.0000 | |
| 23 | A | A | -0.2700 | |
| 24 | T | A | 0.0021 | |
| 25 | L | A | 0.3298 | |
| 26 | K | A | -1.2738 | |
| 27 | D | A | -0.5249 | |
| 28 | I | A | -0.6627 | |
| 29 | N | A | -1.2217 | |
| 30 | A | A | -0.7665 | |
| 31 | I | A | -0.6258 | |
| 32 | P | A | -1.4314 | |
| 33 | D | A | -2.6976 | |
| 34 | D | A | -3.0542 | |
| 35 | M | A | -1.4069 | |
| 36 | M | A | 0.0000 | |
| 37 | D | A | -2.2045 | |
| 38 | D | A | -1.8622 | |
| 39 | I | A | -0.1451 | |
| 40 | Y | A | 0.0000 | |
| 41 | S | A | -0.4010 | |
| 42 | Y | A | 0.2191 | |
| 43 | A | A | 0.0000 | |
| 44 | Y | A | -0.8052 | |
| 45 | D | A | -1.4427 | |
| 46 | F | A | -1.5691 | |
| 47 | Y | A | 0.0000 | |
| 48 | N | A | -2.4699 | |
| 49 | K | A | -2.8837 | |
| 50 | G | A | -2.2530 | |
| 51 | R | A | -2.6804 | |
| 52 | I | A | -1.5982 | |
| 53 | E | A | -1.8080 | |
| 54 | E | A | -0.9439 | |
| 55 | A | A | 0.0000 | |
| 56 | E | A | -0.2267 | |
| 57 | V | A | 1.2363 | |
| 58 | F | A | 1.4620 | |
| 59 | F | A | 0.0000 | |
| 60 | R | A | 0.5794 | |
| 61 | F | A | 1.9192 | |
| 62 | L | A | 0.0000 | |
| 63 | C | A | 0.0000 | |
| 64 | I | A | 2.2500 | |
| 65 | Y | A | 0.8223 | |
| 66 | D | A | 0.3046 | |
| 67 | F | A | 0.3098 | |
| 68 | Y | A | 0.1832 | |
| 69 | N | A | -0.1175 | |
| 70 | V | A | 0.1769 | |
| 71 | D | A | -0.4989 | |
| 72 | Y | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | M | A | -0.3010 | |
| 75 | G | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | Q | A | 0.0000 | |
| 82 | I | A | 0.2697 | |
| 83 | K | A | -1.3690 | |
| 84 | E | A | -2.6363 | |
| 85 | Q | A | -1.9382 | |
| 86 | F | A | -1.6357 | |
| 87 | Q | A | -1.7636 | |
| 88 | Q | A | -1.5275 | |
| 89 | A | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | D | A | -0.6409 | |
| 92 | L | A | -0.2019 | |
| 93 | Y | A | 0.0000 | |
| 94 | A | A | -0.2592 | |
| 95 | V | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | L | A | 0.1594 | |
| 100 | G | A | -0.6564 | |
| 101 | K | A | -1.2789 | |
| 102 | N | A | -2.2522 | |
| 103 | D | A | -2.6478 | |
| 104 | Y | A | 0.0000 | |
| 105 | T | A | -1.0393 | |
| 106 | P | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | H | A | 0.0000 | |
| 110 | T | A | -0.5301 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -0.4108 | |
| 113 | C | A | 0.0000 | |
| 114 | Q | A | -1.4035 | |
| 115 | L | A | -1.1449 | |
| 116 | R | A | -2.4514 | |
| 117 | L | A | -1.7899 | |
| 118 | K | A | -2.0323 | |
| 119 | A | A | -1.1789 | |
| 120 | P | A | -0.9339 | |
| 121 | L | A | -0.1110 | |
| 122 | K | A | -1.7464 | |
| 123 | A | A | 0.0000 | |
| 124 | K | A | -1.6114 | |
| 125 | E | A | -1.8026 | |
| 126 | C | A | -0.9084 | |
| 127 | F | A | 0.0000 | |
| 128 | E | A | -1.4762 | |
| 129 | L | A | -0.7857 | |
| 130 | V | A | 0.0000 | |
| 131 | I | A | -1.0381 | |
| 132 | Q | A | -1.3933 | |
| 133 | H | A | -1.6578 | |
| 134 | S | A | -2.4941 | |
| 135 | N | A | -3.0827 | |
| 136 | D | A | -3.3684 | |
| 137 | E | A | -3.2944 | |
| 138 | K | A | -2.7167 | |
| 139 | L | A | 0.0000 | |
| 140 | K | A | -1.7366 | |
| 141 | I | A | 0.1317 | |
| 142 | K | A | -0.6230 | |
| 143 | A | A | 0.0000 | |
| 144 | Q | A | -0.9822 | |
| 145 | S | A | -0.6414 | |
| 146 | Y | A | -0.6210 | |
| 147 | L | A | -1.3461 | |
| 148 | D | A | -2.2857 | |
| 149 | A | A | -1.0521 | |
| 150 | I | A | -0.5174 | |
| 151 | Q | A | -1.4288 | |
| 10 | S | B | 0.4769 | |
| 11 | I | B | 1.7986 | |
| 12 | S | B | 0.8826 | |
| 13 | T | B | 0.6040 | |
| 14 | A | B | 0.3667 | |
| 15 | V | B | 0.0000 | |
| 16 | I | B | 0.6110 | |
| 17 | D | B | -1.1799 | |
| 18 | A | B | 0.0000 | |
| 19 | I | B | 0.0000 | |
| 20 | N | B | -2.1484 | |
| 21 | S | B | -1.5086 | |
| 22 | G | B | -1.4418 | |
| 23 | A | B | -0.8675 | |
| 24 | T | B | 0.0000 | |
| 25 | L | B | 0.0000 | |
| 26 | K | B | -1.0924 | |
| 27 | D | B | -1.6049 | |
| 28 | I | B | 0.0013 | |
| 29 | N | B | -0.6985 | |
| 30 | A | B | -0.9379 | |
| 31 | I | B | 0.0000 | |
| 32 | P | B | -2.0611 | |
| 33 | D | B | -3.2689 | |
| 34 | D | B | -3.3868 | |
| 35 | M | B | -2.2531 | |
| 36 | M | B | 0.0000 | |
| 37 | D | B | -2.7266 | |
| 38 | D | B | -2.7945 | |
| 39 | I | B | 0.0000 | |
| 40 | Y | B | 0.0000 | |
| 41 | S | B | -1.2903 | |
| 42 | Y | B | -0.9392 | |
| 43 | A | B | 0.0000 | |
| 44 | Y | B | -1.7567 | |
| 45 | D | B | -2.4009 | |
| 46 | F | B | 0.0000 | |
| 47 | Y | B | 0.0000 | |
| 48 | N | B | -2.8467 | |
| 49 | K | B | -3.1002 | |
| 50 | G | B | -2.3512 | |
| 51 | R | B | -2.3017 | |
| 52 | I | B | -1.7383 | |
| 53 | E | B | -2.0084 | |
| 54 | E | B | -1.3583 | |
| 55 | A | B | 0.0000 | |
| 56 | E | B | 0.0000 | |
| 57 | V | B | 0.0000 | |
| 58 | F | B | 0.0000 | |
| 59 | F | B | 0.0000 | |
| 60 | R | B | -0.1617 | |
| 61 | F | B | 0.0000 | |
| 62 | L | B | 0.0000 | |
| 63 | C | B | 0.0000 | |
| 64 | I | B | 0.1657 | |
| 65 | Y | B | 0.0000 | |
| 66 | D | B | -0.3845 | |
| 67 | F | B | 0.0000 | |
| 68 | Y | B | 0.1591 | |
| 69 | N | B | -0.0811 | |
| 70 | V | B | -0.1517 | |
| 71 | D | B | -0.6164 | |
| 72 | Y | B | 0.0000 | |
| 73 | I | B | 0.0000 | |
| 74 | M | B | -0.3795 | |
| 75 | G | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | A | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | I | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | Q | B | 0.0000 | |
| 82 | I | B | 0.3417 | |
| 83 | K | B | -1.1862 | |
| 84 | E | B | -2.0362 | |
| 85 | Q | B | -1.2645 | |
| 86 | F | B | -1.0794 | |
| 87 | Q | B | -1.3172 | |
| 88 | Q | B | -1.4418 | |
| 89 | A | B | 0.0000 | |
| 90 | A | B | -0.7031 | |
| 91 | D | B | -1.5158 | |
| 92 | L | B | 0.0000 | |
| 93 | Y | B | 0.0000 | |
| 94 | A | B | -0.2942 | |
| 95 | V | B | 0.0000 | |
| 96 | A | B | 0.0000 | |
| 97 | F | B | -0.7150 | |
| 98 | A | B | -0.5921 | |
| 99 | L | B | -0.4782 | |
| 100 | G | B | -1.5284 | |
| 101 | K | B | -2.5087 | |
| 102 | N | B | -2.9345 | |
| 103 | D | B | -2.8059 | |
| 104 | Y | B | -1.4875 | |
| 105 | T | B | -0.8896 | |
| 106 | P | B | 0.0000 | |
| 107 | V | B | 0.0000 | |
| 108 | F | B | 0.0000 | |
| 109 | H | B | 0.0000 | |
| 110 | T | B | -0.4823 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | 0.0000 | |
| 113 | C | B | 0.0000 | |
| 114 | Q | B | -1.0953 | |
| 115 | L | B | -0.7166 | |
| 116 | R | B | -1.6031 | |
| 117 | L | B | -1.0323 | |
| 118 | K | B | -1.6543 | |
| 119 | A | B | -0.9412 | |
| 120 | P | B | -0.8483 | |
| 121 | L | B | -0.3216 | |
| 122 | K | B | -2.0397 | |
| 123 | A | B | 0.0000 | |
| 124 | K | B | -1.9626 | |
| 125 | E | B | -2.4406 | |
| 126 | C | B | -1.3788 | |
| 127 | F | B | 0.0000 | |
| 128 | E | B | -1.9524 | |
| 129 | L | B | -0.8818 | |
| 130 | V | B | 0.0000 | |
| 131 | I | B | -1.1397 | |
| 132 | Q | B | -1.5126 | |
| 133 | H | B | -1.9040 | |
| 134 | S | B | 0.0000 | |
| 135 | N | B | -3.2105 | |
| 136 | D | B | -3.2853 | |
| 137 | E | B | -3.2106 | |
| 138 | K | B | -2.7163 | |
| 139 | L | B | 0.0000 | |
| 140 | K | B | -1.5843 | |
| 141 | I | B | 0.2020 | |
| 142 | K | B | -0.3920 | |
| 143 | A | B | 0.0000 | |
| 144 | Q | B | -0.9250 | |
| 145 | S | B | -0.6091 | |
| 146 | Y | B | -0.6598 | |
| 147 | L | B | -1.3401 | |
| 148 | D | B | -2.1035 | |
| 149 | A | B | -0.9811 | |
| 150 | I | B | -0.6667 | |
| 151 | Q | B | -1.2482 | |
| 60 | S | P | -0.4071 | |
| 61 | N | P | -0.2598 | |
| 62 | I | P | 1.1309 | |
| 63 | L | P | 1.7738 | |
| 64 | I | P | 1.5190 | |
| 65 | P | P | 0.0000 | |
| 66 | E | P | -1.8473 | |
| 67 | L | P | 0.0000 | |
| 68 | K | P | -2.3439 | |
| 69 | A | P | -1.7108 | |
| 70 | P | P | -1.8619 | |
| 71 | K | P | -2.3416 | |
| 72 | S | P | -1.0414 | |
| 63 | L | Q | 2.3691 | |
| 64 | I | Q | 2.1681 | |
| 65 | P | Q | 0.0000 | |
| 66 | E | Q | -1.6112 | |
| 67 | L | Q | -1.4601 | |
| 68 | K | Q | -2.1889 | |
| 69 | A | Q | -1.5081 | |
| 70 | P | Q | -1.5127 | |
| 71 | K | Q | -2.5059 | |
| 72 | S | Q | -1.9755 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine