| Chain sequence(s) |
A: MDPEFTNLIHFQSTEGKIWLGEQRMLLLQVSAMASFRREMVNTLGIERAKGFFLRQGYQSGLKDAELARKLRPNASEYDMFLAGPQLHSLKGLVKVRPTEVDIDKESGRFYAEMEWIDSFEVEISQTDLGQMQDPVCWTLLGYACAYSSAFMGREIIFKEVSCRGCGGDKCRVIGKPAEEWDDVASFKQYFKND
B: FTNLIHFQSTEGKIWLGEQRMLLLQVSAMASFRREMVNTLGIERAKGFFLRQGYQSGLKDAELARKLRPNASEYDMFLAGPQLHSLKGLVKVRPTEVDIDKESGRFYAEMEWIDSFEVEISQTDLGQMQDPVCWTLLGYACAYSSAFMGREIIFKEVSCRGCGGDKCRVIGKPAEEWDDVASFKQYFKND input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:08)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:08)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:08)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:08)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:12:11)
[INFO] Main: Simulation completed successfully. (00:12:15)
|
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 | |
| 13 | M | A | 0.7733 | |
| 14 | D | A | 0.0000 | |
| 15 | P | A | -0.7454 | |
| 16 | E | A | -1.4244 | |
| 17 | F | A | 0.0000 | |
| 18 | T | A | -0.8666 | |
| 19 | N | A | -1.5607 | |
| 20 | L | A | -1.0438 | |
| 21 | I | A | -0.6565 | |
| 22 | H | A | -1.1728 | |
| 23 | F | A | -0.7385 | |
| 24 | Q | A | -1.6775 | |
| 25 | S | A | -0.9913 | |
| 26 | T | A | -1.4654 | |
| 27 | E | A | -2.3679 | |
| 28 | G | A | 0.0000 | |
| 29 | K | A | -1.3144 | |
| 30 | I | A | 0.0000 | |
| 31 | W | A | -0.3849 | |
| 32 | L | A | 0.0000 | |
| 33 | G | A | -1.3104 | |
| 34 | E | A | -2.0847 | |
| 35 | Q | A | -1.0772 | |
| 36 | R | A | 0.0000 | |
| 37 | M | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | L | A | 0.2162 | |
| 41 | Q | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -0.3391 | |
| 44 | A | A | 0.0000 | |
| 45 | M | A | 0.0000 | |
| 46 | A | A | -0.8287 | |
| 47 | S | A | -0.6095 | |
| 48 | F | A | -0.2113 | |
| 49 | R | A | 0.0000 | |
| 50 | R | A | -1.5367 | |
| 51 | E | A | 0.0000 | |
| 52 | M | A | 0.0000 | |
| 53 | V | A | -0.5192 | |
| 54 | N | A | -1.5605 | |
| 55 | T | A | -1.2472 | |
| 56 | L | A | -0.6834 | |
| 57 | G | A | -0.7675 | |
| 58 | I | A | -0.2541 | |
| 59 | E | A | -1.7918 | |
| 60 | R | A | -2.1862 | |
| 61 | A | A | 0.0000 | |
| 62 | K | A | 0.0000 | |
| 63 | G | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | R | A | -0.1641 | |
| 68 | Q | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | Y | A | 0.1122 | |
| 71 | Q | A | -0.2566 | |
| 72 | S | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | L | A | -0.3800 | |
| 75 | K | A | -1.3769 | |
| 76 | D | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | E | A | -2.7874 | |
| 79 | L | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | R | A | -3.1839 | |
| 82 | K | A | -3.3628 | |
| 83 | L | A | -2.2776 | |
| 84 | R | A | -2.5708 | |
| 85 | P | A | -2.2356 | |
| 86 | N | A | -2.2208 | |
| 87 | A | A | -1.6108 | |
| 88 | S | A | -1.4530 | |
| 89 | E | A | -1.6290 | |
| 90 | Y | A | -0.7942 | |
| 91 | D | A | -1.7306 | |
| 92 | M | A | -1.3410 | |
| 93 | F | A | 0.0000 | |
| 94 | L | A | -0.2028 | |
| 95 | A | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | P | A | 0.0000 | |
| 98 | Q | A | -0.3426 | |
| 99 | L | A | 0.0000 | |
| 100 | H | A | 0.0000 | |
| 101 | S | A | -0.6571 | |
| 102 | L | A | 0.0000 | |
| 103 | K | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | K | A | -1.7010 | |
| 108 | V | A | -1.3007 | |
| 109 | R | A | -2.2888 | |
| 110 | P | A | -1.5584 | |
| 111 | T | A | -1.4582 | |
| 112 | E | A | -1.7929 | |
| 113 | V | A | -1.0023 | |
| 114 | D | A | -2.2429 | |
| 115 | I | A | 0.0000 | |
| 116 | D | A | -2.7610 | |
| 117 | K | A | -3.0812 | |
| 118 | E | A | -2.9295 | |
| 119 | S | A | -2.1504 | |
| 120 | G | A | -2.6384 | |
| 121 | R | A | -3.2870 | |
| 122 | F | A | 0.0000 | |
| 123 | Y | A | -1.1540 | |
| 124 | A | A | 0.0000 | |
| 125 | E | A | -1.3861 | |
| 126 | M | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | W | A | 0.0000 | |
| 129 | I | A | -1.2813 | |
| 130 | D | A | -1.6940 | |
| 131 | S | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | E | A | 0.0000 | |
| 134 | V | A | -1.1620 | |
| 135 | E | A | -1.6949 | |
| 136 | I | A | 0.0000 | |
| 137 | S | A | -1.5760 | |
| 138 | Q | A | -1.8757 | |
| 139 | T | A | -1.5357 | |
| 140 | D | A | -2.0589 | |
| 141 | L | A | -0.1750 | |
| 142 | G | A | -1.1278 | |
| 143 | Q | A | -2.0578 | |
| 144 | M | A | -1.7539 | |
| 145 | Q | A | -2.0563 | |
| 146 | D | A | -1.8794 | |
| 147 | P | A | -0.8988 | |
| 148 | V | A | 0.0000 | |
| 149 | C | A | 0.0000 | |
| 150 | W | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | 0.0223 | |
| 154 | G | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | A | A | 0.0699 | |
| 157 | C | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | Y | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | S | A | -1.1685 | |
| 162 | A | A | -1.1312 | |
| 163 | F | A | 0.0000 | |
| 164 | M | A | 0.0000 | |
| 165 | G | A | -1.8495 | |
| 166 | R | A | -2.8638 | |
| 167 | E | A | -2.8522 | |
| 168 | I | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | K | A | -0.5436 | |
| 172 | E | A | 0.0000 | |
| 173 | V | A | 0.9025 | |
| 174 | S | A | -0.6816 | |
| 175 | C | A | 0.0000 | |
| 176 | R | A | -1.9442 | |
| 177 | G | A | 0.0000 | |
| 178 | C | A | -1.5818 | |
| 179 | G | A | -1.6820 | |
| 180 | G | A | -1.6651 | |
| 181 | D | A | -2.7201 | |
| 182 | K | A | -2.3121 | |
| 183 | C | A | 0.0000 | |
| 184 | R | A | -1.9172 | |
| 185 | V | A | 0.0000 | |
| 186 | I | A | -0.1396 | |
| 187 | G | A | 0.0000 | |
| 188 | K | A | -1.6260 | |
| 189 | P | A | 0.0000 | |
| 190 | A | A | -2.5532 | |
| 191 | E | A | -3.5425 | |
| 192 | E | A | -3.4029 | |
| 193 | W | A | -2.5993 | |
| 194 | D | A | -3.1603 | |
| 195 | D | A | -2.9363 | |
| 196 | V | A | -1.7894 | |
| 197 | A | A | -1.2818 | |
| 198 | S | A | -1.1311 | |
| 199 | F | A | 0.0000 | |
| 200 | K | A | -1.8719 | |
| 201 | Q | A | -2.4207 | |
| 202 | Y | A | -1.8775 | |
| 203 | F | A | -1.2476 | |
| 204 | K | A | -3.0557 | |
| 205 | N | A | -3.2856 | |
| 206 | D | A | -3.4406 | |
| 17 | F | B | 1.7566 | |
| 18 | T | B | 0.4594 | |
| 19 | N | B | -0.3547 | |
| 20 | L | B | 0.8048 | |
| 21 | I | B | 0.4342 | |
| 22 | H | B | -0.7528 | |
| 23 | F | B | -0.4185 | |
| 24 | Q | B | -1.6124 | |
| 25 | S | B | -1.1914 | |
| 26 | T | B | -1.2163 | |
| 27 | E | B | -2.4209 | |
| 28 | G | B | 0.0000 | |
| 29 | K | B | -1.1668 | |
| 30 | I | B | 0.0000 | |
| 31 | W | B | -0.1935 | |
| 32 | L | B | 0.0000 | |
| 33 | G | B | -1.2589 | |
| 34 | E | B | -2.1892 | |
| 35 | Q | B | -1.1458 | |
| 36 | R | B | 0.0000 | |
| 37 | M | B | 0.0000 | |
| 38 | L | B | 0.0000 | |
| 39 | L | B | 0.0000 | |
| 40 | L | B | 0.0000 | |
| 41 | Q | B | 0.0000 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -0.2961 | |
| 44 | A | B | 0.0000 | |
| 45 | M | B | -0.2460 | |
| 46 | A | B | -0.8764 | |
| 47 | S | B | -0.9111 | |
| 48 | F | B | 0.0000 | |
| 49 | R | B | 0.0000 | |
| 50 | R | B | -2.1836 | |
| 51 | E | B | -1.9873 | |
| 52 | M | B | 0.0000 | |
| 53 | V | B | -1.2795 | |
| 54 | N | B | -1.9178 | |
| 55 | T | B | -1.5752 | |
| 56 | L | B | -0.7947 | |
| 57 | G | B | -0.9719 | |
| 58 | I | B | -0.8524 | |
| 59 | E | B | -2.2889 | |
| 60 | R | B | -2.6411 | |
| 61 | A | B | 0.0000 | |
| 62 | K | B | 0.0000 | |
| 63 | G | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 65 | F | B | 0.0000 | |
| 66 | L | B | 0.0000 | |
| 67 | R | B | 0.0000 | |
| 68 | Q | B | 0.0000 | |
| 69 | G | B | 0.0000 | |
| 70 | Y | B | 0.1700 | |
| 71 | Q | B | -0.1492 | |
| 72 | S | B | 0.0000 | |
| 73 | G | B | 0.0000 | |
| 74 | L | B | -0.3208 | |
| 75 | K | B | -1.2600 | |
| 76 | D | B | 0.0000 | |
| 77 | A | B | 0.0000 | |
| 78 | E | B | -2.7289 | |
| 79 | L | B | 0.0000 | |
| 80 | A | B | 0.0000 | |
| 81 | R | B | -3.3245 | |
| 82 | K | B | -3.5946 | |
| 83 | L | B | -2.4357 | |
| 84 | R | B | -3.2423 | |
| 85 | P | B | -2.5057 | |
| 86 | N | B | -2.6755 | |
| 87 | A | B | -2.2580 | |
| 88 | S | B | -1.5841 | |
| 89 | E | B | -1.6598 | |
| 90 | Y | B | -0.4706 | |
| 91 | D | B | -1.8988 | |
| 92 | M | B | -1.4805 | |
| 93 | F | B | 0.0000 | |
| 94 | L | B | -0.3219 | |
| 95 | A | B | -0.4540 | |
| 96 | G | B | 0.0000 | |
| 97 | P | B | -0.5161 | |
| 98 | Q | B | -0.6856 | |
| 99 | L | B | 0.0000 | |
| 100 | H | B | 0.0000 | |
| 101 | S | B | -1.0010 | |
| 102 | L | B | 0.0000 | |
| 103 | K | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | V | B | 0.0000 | |
| 107 | K | B | -1.5032 | |
| 108 | V | B | -1.2930 | |
| 109 | R | B | -2.2129 | |
| 110 | P | B | -1.5550 | |
| 111 | T | B | -1.4511 | |
| 112 | E | B | -1.9482 | |
| 113 | V | B | -0.5382 | |
| 114 | D | B | -0.9771 | |
| 115 | I | B | -1.1546 | |
| 116 | D | B | -2.2324 | |
| 117 | K | B | -2.6354 | |
| 118 | E | B | -2.7666 | |
| 119 | S | B | -2.0471 | |
| 120 | G | B | -2.5988 | |
| 121 | R | B | -2.8286 | |
| 122 | F | B | 0.0000 | |
| 123 | Y | B | -0.5239 | |
| 124 | A | B | 0.0000 | |
| 125 | E | B | -1.0056 | |
| 126 | M | B | 0.0000 | |
| 127 | E | B | 0.0000 | |
| 128 | W | B | 0.0000 | |
| 129 | I | B | -0.7989 | |
| 130 | D | B | -0.9326 | |
| 131 | S | B | 0.0000 | |
| 132 | F | B | 0.0000 | |
| 133 | E | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | E | B | -1.1681 | |
| 136 | I | B | 0.0000 | |
| 137 | S | B | 0.0000 | |
| 138 | Q | B | -1.3121 | |
| 139 | T | B | -0.9489 | |
| 140 | D | B | -0.9068 | |
| 141 | L | B | 0.1559 | |
| 142 | G | B | -0.7170 | |
| 143 | Q | B | -1.6536 | |
| 144 | M | B | -1.5332 | |
| 145 | Q | B | -2.6079 | |
| 146 | D | B | -2.4746 | |
| 147 | P | B | -1.1902 | |
| 148 | V | B | 0.0000 | |
| 149 | C | B | 0.0000 | |
| 150 | W | B | 0.0000 | |
| 151 | T | B | 0.0000 | |
| 152 | L | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | G | B | 0.0000 | |
| 155 | Y | B | 0.0000 | |
| 156 | A | B | 0.0531 | |
| 157 | C | B | 0.0000 | |
| 158 | A | B | 0.0000 | |
| 159 | Y | B | 0.0000 | |
| 160 | S | B | 0.0000 | |
| 161 | S | B | -1.0568 | |
| 162 | A | B | -0.8850 | |
| 163 | F | B | 0.0000 | |
| 164 | M | B | 0.0000 | |
| 165 | G | B | -1.9335 | |
| 166 | R | B | -3.1861 | |
| 167 | E | B | -2.5985 | |
| 168 | I | B | 0.0000 | |
| 169 | I | B | 0.0000 | |
| 170 | F | B | 0.0000 | |
| 171 | K | B | -0.2300 | |
| 172 | E | B | 0.0000 | |
| 173 | V | B | 1.1537 | |
| 174 | S | B | -0.4279 | |
| 175 | C | B | 0.0000 | |
| 176 | R | B | -2.5356 | |
| 177 | G | B | -1.7920 | |
| 178 | C | B | -1.9224 | |
| 179 | G | B | -1.7612 | |
| 180 | G | B | -2.1039 | |
| 181 | D | B | -2.7345 | |
| 182 | K | B | -2.0155 | |
| 183 | C | B | 0.0000 | |
| 184 | R | B | -0.6881 | |
| 185 | V | B | 0.0000 | |
| 186 | I | B | 0.0083 | |
| 187 | G | B | 0.0000 | |
| 188 | K | B | -1.4339 | |
| 189 | P | B | 0.0000 | |
| 190 | A | B | 0.0000 | |
| 191 | E | B | -3.5568 | |
| 192 | E | B | -3.2653 | |
| 193 | W | B | -2.6071 | |
| 194 | D | B | -3.1470 | |
| 195 | D | B | -2.9078 | |
| 196 | V | B | -1.7198 | |
| 197 | A | B | -1.1065 | |
| 198 | S | B | -0.8879 | |
| 199 | F | B | -0.9085 | |
| 200 | K | B | -1.6245 | |
| 201 | Q | B | -2.1268 | |
| 202 | Y | B | -1.8254 | |
| 203 | F | B | -1.3841 | |
| 204 | K | B | -2.9807 | |
| 205 | N | B | -3.0898 | |
| 206 | D | B | -3.3447 |
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