| Chain sequence(s) |
A: EWSYEGEKGPEHWAQLKPEFFWCKLKNQSPINIDKKYKVKANLPKLNLYYKTAKESSEVVNNGHTIQINIKEDNTLNYLGEKYQLKQFHFHTPSEHTIEKKSSYPLEIHFVHKTEDGKILVVGVMAKLGKTNKELDKILNVAPAEEGEKILDKNLNLNNLIPKDKRYMTYSGSLTTPPCTEGVRWIVLKKPISISKQQLEKLKSVMVNPNNRPVQEINSRWIIEGF
B: HEWSYEGEKGPEHWAQLKPEFFWCKLKNQSPINIDKKYKVKANLPKLNLYYKTAKESEVVNNGHTIQINIKEDNTLNYLGEKYQLKQFHFHTPSEHTIEKKSYPLEIHFVHKTEDGKILVVGVMAKLGKTNKELDKILNVAPAEEGEKILDKNLNLNNLIPKDKRYMTYSGSLTTPPCTEGVRWIVLKKPISISKQQLEKLKSVMVNPNNRPVQEINSRWIIEGF 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] (00:00:00)
[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 (00:09:15)
[INFO] Main: Simulation completed successfully. (00:09:18)
|
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 | |
| 2 | E | A | -2.0510 | |
| 3 | W | A | -1.8613 | |
| 4 | S | A | -1.5662 | |
| 5 | Y | A | -1.6551 | |
| 6 | E | A | -2.9687 | |
| 7 | G | A | -2.8383 | |
| 8 | E | A | -3.4357 | |
| 9 | K | A | -3.3141 | |
| 10 | G | A | 0.0000 | |
| 11 | P | A | -2.2289 | |
| 12 | E | A | -3.2987 | |
| 13 | H | A | -3.2048 | |
| 14 | W | A | 0.0000 | |
| 15 | A | A | -1.9984 | |
| 16 | Q | A | -2.5561 | |
| 17 | L | A | -1.9739 | |
| 18 | K | A | -2.3943 | |
| 19 | P | A | -1.7739 | |
| 20 | E | A | -2.2890 | |
| 21 | F | A | 0.0000 | |
| 22 | F | A | -0.8669 | |
| 23 | W | A | -0.5616 | |
| 24 | C | A | 0.0000 | |
| 25 | K | A | -2.0783 | |
| 26 | L | A | -1.1000 | |
| 27 | K | A | -1.3737 | |
| 28 | N | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | S | A | 0.0000 | |
| 31 | P | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | N | A | -1.6069 | |
| 34 | I | A | 0.0000 | |
| 35 | D | A | -2.6345 | |
| 36 | K | A | -3.1745 | |
| 37 | K | A | -2.5114 | |
| 38 | Y | A | -1.2234 | |
| 39 | K | A | -1.8298 | |
| 40 | V | A | 0.0000 | |
| 41 | K | A | -2.1852 | |
| 42 | A | A | 0.0000 | |
| 43 | N | A | -1.3988 | |
| 44 | L | A | 0.0000 | |
| 45 | P | A | -1.0560 | |
| 46 | K | A | -2.2253 | |
| 47 | L | A | 0.0000 | |
| 48 | N | A | -1.4161 | |
| 49 | L | A | 0.0000 | |
| 50 | Y | A | 0.4864 | |
| 51 | Y | A | 0.0000 | |
| 52 | K | A | -2.0569 | |
| 53 | T | A | -1.9738 | |
| 54 | A | A | 0.0000 | |
| 55 | K | A | -3.6508 | |
| 56 | E | A | -3.6441 | |
| 57 | S | A | 0.0000 | |
| 58 | E | A | -1.5460 | |
| 59 | V | A | 0.0000 | |
| 60 | V | A | -1.5833 | |
| 61 | N | A | 0.0000 | |
| 62 | N | A | -1.7837 | |
| 63 | G | A | -1.2574 | |
| 64 | H | A | -0.5342 | |
| 65 | T | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | Q | A | -0.6482 | |
| 68 | I | A | 0.0000 | |
| 69 | N | A | -1.1151 | |
| 70 | I | A | -2.2535 | |
| 71 | K | A | -3.0322 | |
| 72 | E | A | -2.8580 | |
| 73 | D | A | -2.7784 | |
| 74 | N | A | 0.0000 | |
| 75 | T | A | -1.7733 | |
| 76 | L | A | 0.0000 | |
| 77 | N | A | -2.6559 | |
| 78 | Y | A | 0.0000 | |
| 79 | L | A | -1.1255 | |
| 80 | G | A | -1.5703 | |
| 81 | E | A | -2.7581 | |
| 82 | K | A | -3.4316 | |
| 83 | Y | A | 0.0000 | |
| 84 | Q | A | -2.2879 | |
| 85 | L | A | 0.0000 | |
| 86 | K | A | -1.8301 | |
| 87 | Q | A | -1.1183 | |
| 88 | F | A | 0.0000 | |
| 89 | H | A | -0.2582 | |
| 90 | F | A | 0.0000 | |
| 91 | H | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | P | A | -0.4443 | |
| 94 | S | A | 0.0000 | |
| 95 | E | A | 0.0000 | |
| 96 | H | A | 0.0000 | |
| 97 | T | A | -1.5677 | |
| 98 | I | A | -2.3671 | |
| 99 | E | A | -3.7933 | |
| 100 | K | A | -3.3773 | |
| 101 | K | A | -3.0680 | |
| 102 | S | A | -1.8301 | |
| 103 | Y | A | 0.0000 | |
| 104 | P | A | -0.4968 | |
| 105 | L | A | 0.0000 | |
| 106 | E | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | H | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | H | A | 0.0000 | |
| 112 | K | A | -2.3827 | |
| 113 | T | A | -3.1623 | |
| 114 | E | A | -3.5398 | |
| 115 | D | A | -3.4287 | |
| 116 | G | A | -2.3421 | |
| 117 | K | A | -2.1311 | |
| 118 | I | A | -0.9000 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | M | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | K | A | -1.6539 | |
| 127 | L | A | -1.1011 | |
| 128 | G | A | -1.5208 | |
| 129 | K | A | -2.3334 | |
| 130 | T | A | -1.8674 | |
| 131 | N | A | 0.0000 | |
| 132 | K | A | -2.4066 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | D | A | -2.1697 | |
| 136 | K | A | -2.2531 | |
| 137 | I | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | N | A | -1.6389 | |
| 140 | V | A | -1.0250 | |
| 141 | A | A | -1.3163 | |
| 142 | P | A | -1.8789 | |
| 143 | A | A | -1.5272 | |
| 144 | E | A | -2.9433 | |
| 145 | E | A | -3.3480 | |
| 146 | G | A | -2.7448 | |
| 147 | E | A | -2.7593 | |
| 148 | K | A | -1.6943 | |
| 149 | I | A | -0.6187 | |
| 150 | L | A | 0.0000 | |
| 151 | D | A | -3.2704 | |
| 152 | K | A | -3.4427 | |
| 153 | N | A | -3.4286 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | -1.8561 | |
| 156 | L | A | 0.0000 | |
| 157 | N | A | -0.9871 | |
| 158 | N | A | -1.3101 | |
| 159 | L | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | K | A | -3.1159 | |
| 163 | D | A | -3.4489 | |
| 164 | K | A | -2.6597 | |
| 165 | R | A | -1.7821 | |
| 166 | Y | A | 0.0000 | |
| 167 | M | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | Y | A | 0.0000 | |
| 170 | S | A | -0.0830 | |
| 171 | G | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | L | A | 0.3237 | |
| 174 | T | A | 0.0000 | |
| 175 | T | A | 0.0183 | |
| 176 | P | A | -0.5485 | |
| 177 | P | A | -0.5788 | |
| 178 | C | A | 0.0000 | |
| 179 | T | A | -0.1025 | |
| 180 | E | A | 0.0000 | |
| 181 | G | A | -0.4903 | |
| 182 | V | A | 0.0000 | |
| 183 | R | A | 0.0000 | |
| 184 | W | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | K | A | -1.9576 | |
| 189 | K | A | -2.9548 | |
| 190 | P | A | -1.6504 | |
| 191 | I | A | 0.0000 | |
| 192 | S | A | -1.3013 | |
| 193 | I | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | K | A | -2.9499 | |
| 196 | Q | A | -2.8444 | |
| 197 | Q | A | 0.0000 | |
| 198 | L | A | -2.2031 | |
| 199 | E | A | -3.2682 | |
| 200 | K | A | -2.7399 | |
| 201 | L | A | 0.0000 | |
| 202 | K | A | -1.8178 | |
| 203 | S | A | -1.2415 | |
| 204 | V | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | V | A | -0.0060 | |
| 207 | N | A | -0.4941 | |
| 208 | P | A | -0.7448 | |
| 209 | N | A | 0.0000 | |
| 210 | N | A | -0.3744 | |
| 211 | R | A | 0.0000 | |
| 212 | P | A | -0.2009 | |
| 213 | V | A | 0.2109 | |
| 214 | Q | A | -0.9701 | |
| 215 | E | A | -1.8594 | |
| 216 | I | A | -0.8855 | |
| 217 | N | A | -0.9652 | |
| 218 | S | A | 0.0000 | |
| 219 | R | A | 0.0000 | |
| 220 | W | A | -0.2797 | |
| 221 | I | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | E | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | F | A | 0.7799 | |
| 1 | H | B | -1.7269 | |
| 2 | E | B | -1.8435 | |
| 3 | W | B | 0.0000 | |
| 4 | S | B | -1.6713 | |
| 5 | Y | B | -1.5534 | |
| 6 | E | B | -2.8592 | |
| 7 | G | B | -2.7043 | |
| 8 | E | B | -3.1022 | |
| 9 | K | B | -3.0646 | |
| 10 | G | B | 0.0000 | |
| 11 | P | B | -2.1328 | |
| 12 | E | B | -3.1211 | |
| 13 | H | B | -2.7948 | |
| 14 | W | B | 0.0000 | |
| 15 | A | B | -1.8733 | |
| 16 | Q | B | -2.1579 | |
| 17 | L | B | -1.5912 | |
| 18 | K | B | -1.8929 | |
| 19 | P | B | -1.5840 | |
| 20 | E | B | -2.1798 | |
| 21 | F | B | 0.0000 | |
| 22 | F | B | -0.8795 | |
| 23 | W | B | -0.5844 | |
| 24 | C | B | 0.0000 | |
| 25 | K | B | -2.1658 | |
| 26 | L | B | 0.0000 | |
| 27 | K | B | -1.2718 | |
| 28 | N | B | 0.0000 | |
| 29 | Q | B | 0.0000 | |
| 30 | S | B | 0.0000 | |
| 31 | P | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | N | B | -1.5409 | |
| 34 | I | B | 0.0000 | |
| 35 | D | B | -2.5102 | |
| 36 | K | B | -2.7899 | |
| 37 | K | B | -1.9845 | |
| 38 | Y | B | -0.9231 | |
| 39 | K | B | -1.3680 | |
| 40 | V | B | -1.4387 | |
| 41 | K | B | -1.5532 | |
| 42 | A | B | 0.0000 | |
| 43 | N | B | -1.4532 | |
| 44 | L | B | -1.0758 | |
| 45 | P | B | -1.1396 | |
| 46 | K | B | -2.4659 | |
| 47 | L | B | 0.0000 | |
| 48 | N | B | -1.7719 | |
| 49 | L | B | 0.0000 | |
| 50 | Y | B | 0.4821 | |
| 51 | Y | B | 0.0000 | |
| 52 | K | B | -2.0763 | |
| 53 | T | B | -1.9364 | |
| 54 | A | B | 0.0000 | |
| 55 | K | B | -3.7362 | |
| 56 | E | B | -3.4602 | |
| 57 | S | B | 0.0000 | |
| 58 | E | B | -1.5136 | |
| 59 | V | B | 0.0000 | |
| 60 | V | B | -1.4978 | |
| 61 | N | B | 0.0000 | |
| 62 | N | B | -1.6869 | |
| 63 | G | B | -1.1624 | |
| 64 | H | B | 0.0000 | |
| 65 | T | B | 0.0000 | |
| 66 | I | B | 0.0000 | |
| 67 | Q | B | -0.6427 | |
| 68 | I | B | 0.0000 | |
| 69 | N | B | -1.1322 | |
| 70 | I | B | -2.3140 | |
| 71 | K | B | -3.0661 | |
| 72 | E | B | -2.8838 | |
| 73 | D | B | -2.7641 | |
| 74 | N | B | 0.0000 | |
| 75 | T | B | -1.5679 | |
| 76 | L | B | 0.0000 | |
| 77 | N | B | -2.2991 | |
| 78 | Y | B | 0.0000 | |
| 79 | L | B | -0.9563 | |
| 80 | G | B | -1.2067 | |
| 81 | E | B | -1.9602 | |
| 82 | K | B | -2.4441 | |
| 83 | Y | B | 0.0000 | |
| 84 | Q | B | -1.9877 | |
| 85 | L | B | 0.0000 | |
| 86 | K | B | -1.8677 | |
| 87 | Q | B | -1.0906 | |
| 88 | F | B | 0.0000 | |
| 89 | H | B | -0.2441 | |
| 90 | F | B | 0.0000 | |
| 91 | H | B | 0.0000 | |
| 92 | T | B | 0.0000 | |
| 93 | P | B | -0.4609 | |
| 94 | S | B | 0.0000 | |
| 95 | E | B | 0.0000 | |
| 96 | H | B | 0.0000 | |
| 97 | T | B | -1.4277 | |
| 98 | I | B | -2.2998 | |
| 99 | E | B | -3.6599 | |
| 100 | K | B | -3.3921 | |
| 101 | K | B | -2.9403 | |
| 102 | S | B | -1.7107 | |
| 103 | Y | B | -0.6065 | |
| 104 | P | B | -0.4884 | |
| 105 | L | B | 0.0000 | |
| 106 | E | B | 0.0000 | |
| 107 | I | B | 0.0000 | |
| 108 | H | B | 0.0000 | |
| 109 | F | B | 0.0000 | |
| 110 | V | B | 0.0000 | |
| 111 | H | B | 0.0000 | |
| 112 | K | B | -2.1971 | |
| 113 | T | B | -2.8577 | |
| 114 | E | B | -3.3679 | |
| 115 | D | B | -3.3425 | |
| 116 | G | B | -2.4282 | |
| 117 | K | B | -2.1772 | |
| 118 | I | B | -1.0028 | |
| 119 | L | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | G | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | M | B | 0.0000 | |
| 125 | A | B | 0.0000 | |
| 126 | K | B | -1.6476 | |
| 127 | L | B | -1.0973 | |
| 128 | G | B | -1.6980 | |
| 129 | K | B | -2.3543 | |
| 130 | T | B | -1.8790 | |
| 131 | N | B | 0.0000 | |
| 132 | K | B | -2.4340 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | 0.0000 | |
| 135 | D | B | -2.0695 | |
| 136 | K | B | -2.0732 | |
| 137 | I | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | N | B | -1.6310 | |
| 140 | V | B | -0.9640 | |
| 141 | A | B | 0.0000 | |
| 142 | P | B | -1.9242 | |
| 143 | A | B | -1.5452 | |
| 144 | E | B | -2.9440 | |
| 145 | E | B | -3.1870 | |
| 146 | G | B | -2.6962 | |
| 147 | E | B | -2.6870 | |
| 148 | K | B | -1.5331 | |
| 149 | I | B | -0.4004 | |
| 150 | L | B | 0.0000 | |
| 151 | D | B | -3.0171 | |
| 152 | K | B | -2.8455 | |
| 153 | N | B | -3.0271 | |
| 154 | L | B | 0.0000 | |
| 155 | N | B | -1.6190 | |
| 156 | L | B | 0.0000 | |
| 157 | N | B | -0.7617 | |
| 158 | N | B | -1.0955 | |
| 159 | L | B | 0.0000 | |
| 160 | I | B | 0.0000 | |
| 161 | P | B | 0.0000 | |
| 162 | K | B | -2.5028 | |
| 163 | D | B | -2.4572 | |
| 164 | K | B | -2.9350 | |
| 165 | R | B | -2.7797 | |
| 166 | Y | B | 0.0000 | |
| 167 | M | B | 0.0000 | |
| 168 | T | B | 0.0000 | |
| 169 | Y | B | 0.0000 | |
| 170 | S | B | -0.0999 | |
| 171 | G | B | 0.0000 | |
| 172 | S | B | 0.0000 | |
| 173 | L | B | 0.3405 | |
| 174 | T | B | 0.0000 | |
| 175 | T | B | 0.0330 | |
| 176 | P | B | 0.0000 | |
| 177 | P | B | -0.5516 | |
| 178 | C | B | 0.0000 | |
| 179 | T | B | -0.1243 | |
| 180 | E | B | 0.0000 | |
| 181 | G | B | -0.6038 | |
| 182 | V | B | 0.0000 | |
| 183 | R | B | 0.0000 | |
| 184 | W | B | 0.0000 | |
| 185 | I | B | 0.0000 | |
| 186 | V | B | 0.0000 | |
| 187 | L | B | 0.0000 | |
| 188 | K | B | -2.2515 | |
| 189 | K | B | -2.5365 | |
| 190 | P | B | -1.2295 | |
| 191 | I | B | -0.9103 | |
| 192 | S | B | -1.1024 | |
| 193 | I | B | 0.0000 | |
| 194 | S | B | -2.3891 | |
| 195 | K | B | -3.0264 | |
| 196 | Q | B | -2.8135 | |
| 197 | Q | B | 0.0000 | |
| 198 | L | B | 0.0000 | |
| 199 | E | B | -3.1004 | |
| 200 | K | B | -2.6997 | |
| 201 | L | B | 0.0000 | |
| 202 | K | B | -1.8997 | |
| 203 | S | B | -1.4365 | |
| 204 | V | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | V | B | -0.2092 | |
| 207 | N | B | -0.6292 | |
| 208 | P | B | -0.8141 | |
| 209 | N | B | 0.0000 | |
| 210 | N | B | -0.3748 | |
| 211 | R | B | 0.0000 | |
| 212 | P | B | -0.1966 | |
| 213 | V | B | 0.5805 | |
| 214 | Q | B | -0.8014 | |
| 215 | E | B | -1.7394 | |
| 216 | I | B | -0.7031 | |
| 217 | N | B | -0.8459 | |
| 218 | S | B | 0.0000 | |
| 219 | R | B | 0.0000 | |
| 220 | W | B | -0.1751 | |
| 221 | I | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | E | B | 0.0000 | |
| 224 | G | B | 0.0000 | |
| 225 | F | B | 0.6948 |
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