| Chain sequence(s) |
A: MYGIEYTTILTFLISIILLNYILYDALKSITRIMDYIIYRFLLIIVILSPFVNAQNYGINLPITGSMDTAYANSTQEEPFLTSTLCLYYPTEAATEINDNEWKDTLSQLFLTKGWPTGSVYFKEYTDIASFSVDPQLYCDYNIVLMKYDSTLELDMSELADLILNEWLCNPMDITLYYYQQTDEANKWISMGSSCTIKVCPLNTQTLGIGCLTTDTDTFEEVATAEKLVITDVVDGVNHKLNVTTATCTIRNCKKLGPRENVAVIQVGGSNILDITADPTTAPQTERMMRINWKKWWQVFYTVVDYVNQIVQVMSKRSRSLNSAAFYYRV
input PDB |
| Selected Chain(s) | A |
| 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 A 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 (00:08:29)
[INFO] Main: Simulation completed successfully. (00:08:34)
|
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 | M | A | 1.6884 | |
| 2 | Y | A | 1.9362 | |
| 3 | G | A | 1.2661 | |
| 4 | I | A | 2.0443 | |
| 5 | E | A | 0.5787 | |
| 6 | Y | A | 2.0284 | |
| 7 | T | A | 1.7879 | |
| 8 | T | A | 1.9517 | |
| 9 | I | A | 3.1673 | |
| 10 | L | A | 3.0429 | |
| 11 | T | A | 2.8928 | |
| 12 | F | A | 4.3647 | |
| 13 | L | A | 4.4455 | |
| 14 | I | A | 4.5771 | |
| 15 | S | A | 3.8413 | |
| 16 | I | A | 4.2464 | |
| 17 | I | A | 4.9667 | |
| 18 | L | A | 4.7943 | |
| 19 | L | A | 4.3683 | |
| 20 | N | A | 3.3453 | |
| 21 | Y | A | 3.9197 | |
| 22 | I | A | 3.7695 | |
| 23 | L | A | 3.2463 | |
| 24 | Y | A | 2.3102 | |
| 25 | D | A | 0.5473 | |
| 26 | A | A | 1.0893 | |
| 27 | L | A | 1.3329 | |
| 28 | K | A | -0.7020 | |
| 29 | S | A | -0.1401 | |
| 30 | I | A | 1.2013 | |
| 31 | T | A | 0.0712 | |
| 32 | R | A | -0.4431 | |
| 33 | I | A | 2.1037 | |
| 34 | M | A | 1.7663 | |
| 35 | D | A | 1.1401 | |
| 36 | Y | A | 2.6220 | |
| 37 | I | A | 3.1567 | |
| 38 | I | A | 3.5949 | |
| 39 | Y | A | 3.4204 | |
| 40 | R | A | 2.1251 | |
| 41 | F | A | 4.0864 | |
| 42 | L | A | 4.3444 | |
| 43 | L | A | 3.8999 | |
| 44 | I | A | 3.8729 | |
| 45 | I | A | 4.4275 | |
| 46 | V | A | 4.2412 | |
| 47 | I | A | 4.2230 | |
| 48 | L | A | 3.7738 | |
| 49 | S | A | 2.7521 | |
| 50 | P | A | 1.9513 | |
| 51 | F | A | 3.1403 | |
| 52 | V | A | 2.3081 | |
| 53 | N | A | -0.4207 | |
| 54 | A | A | -0.5778 | |
| 55 | Q | A | -1.5840 | |
| 56 | N | A | -1.3494 | |
| 57 | Y | A | 0.4935 | |
| 58 | G | A | 0.2404 | |
| 59 | I | A | 1.5200 | |
| 60 | N | A | 0.1321 | |
| 61 | L | A | 1.1559 | |
| 62 | P | A | 0.8121 | |
| 63 | I | A | 1.8307 | |
| 64 | T | A | 0.6307 | |
| 65 | G | A | -0.0309 | |
| 66 | S | A | -0.2112 | |
| 67 | M | A | 0.3076 | |
| 68 | D | A | -1.2650 | |
| 69 | T | A | -0.1472 | |
| 70 | A | A | 0.1784 | |
| 71 | Y | A | 0.7724 | |
| 72 | A | A | 0.0192 | |
| 73 | N | A | -1.1700 | |
| 74 | S | A | -1.2819 | |
| 75 | T | A | -1.7626 | |
| 76 | Q | A | -2.8734 | |
| 77 | E | A | -2.9125 | |
| 78 | E | A | -2.3532 | |
| 79 | P | A | -0.5636 | |
| 80 | F | A | 1.7563 | |
| 81 | L | A | 1.8275 | |
| 82 | T | A | 1.0970 | |
| 83 | S | A | 0.3554 | |
| 84 | T | A | 0.1654 | |
| 85 | L | A | 0.0000 | |
| 86 | C | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | Y | A | 0.0000 | |
| 90 | P | A | 0.0000 | |
| 91 | T | A | -1.7896 | |
| 92 | E | A | -2.6385 | |
| 93 | A | A | 0.0000 | |
| 94 | A | A | -1.9792 | |
| 95 | T | A | -2.0571 | |
| 96 | E | A | -2.7241 | |
| 97 | I | A | 0.0000 | |
| 98 | N | A | -2.8255 | |
| 99 | D | A | -2.8601 | |
| 100 | N | A | -3.2016 | |
| 101 | E | A | -3.7064 | |
| 102 | W | A | 0.0000 | |
| 103 | K | A | -2.6427 | |
| 104 | D | A | -3.2964 | |
| 105 | T | A | -2.1251 | |
| 106 | L | A | 0.0000 | |
| 107 | S | A | -1.4196 | |
| 108 | Q | A | -1.4986 | |
| 109 | L | A | -0.6397 | |
| 110 | F | A | 0.0000 | |
| 111 | L | A | -0.1402 | |
| 112 | T | A | -0.4703 | |
| 113 | K | A | -0.9714 | |
| 114 | G | A | -0.6742 | |
| 115 | W | A | 0.0000 | |
| 116 | P | A | -0.2193 | |
| 117 | T | A | -0.5889 | |
| 118 | G | A | -0.2774 | |
| 119 | S | A | 0.0000 | |
| 120 | V | A | 0.3063 | |
| 121 | Y | A | 0.3582 | |
| 122 | F | A | -0.3287 | |
| 123 | K | A | -1.4843 | |
| 124 | E | A | -2.3707 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.9844 | |
| 127 | D | A | -0.9310 | |
| 128 | I | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | S | A | -0.7490 | |
| 131 | F | A | 0.0000 | |
| 132 | S | A | 0.0000 | |
| 133 | V | A | -0.7371 | |
| 134 | D | A | -1.9932 | |
| 135 | P | A | -1.2403 | |
| 136 | Q | A | -1.1140 | |
| 137 | L | A | 0.0000 | |
| 138 | Y | A | 0.6084 | |
| 139 | C | A | 0.0000 | |
| 140 | D | A | -1.0432 | |
| 141 | Y | A | -0.4711 | |
| 142 | N | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | M | A | 0.0000 | |
| 147 | K | A | -1.8441 | |
| 148 | Y | A | -1.3726 | |
| 149 | D | A | -1.8125 | |
| 150 | S | A | -1.3833 | |
| 151 | T | A | -0.8457 | |
| 152 | L | A | -1.4810 | |
| 153 | E | A | -2.3796 | |
| 154 | L | A | 0.0000 | |
| 155 | D | A | -2.5344 | |
| 156 | M | A | 0.0000 | |
| 157 | S | A | -1.5944 | |
| 158 | E | A | -2.2115 | |
| 159 | L | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | D | A | -1.9865 | |
| 162 | L | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | N | A | 0.0000 | |
| 166 | E | A | -0.9016 | |
| 167 | W | A | 0.0201 | |
| 168 | L | A | 0.8988 | |
| 169 | C | A | -0.3701 | |
| 170 | N | A | -1.5591 | |
| 171 | P | A | -1.5205 | |
| 172 | M | A | 0.0000 | |
| 173 | D | A | -0.9525 | |
| 174 | I | A | 0.2460 | |
| 175 | T | A | 0.7235 | |
| 176 | L | A | 2.1005 | |
| 177 | Y | A | 2.2430 | |
| 178 | Y | A | 1.7520 | |
| 179 | Y | A | 0.5073 | |
| 180 | Q | A | -0.8057 | |
| 181 | Q | A | 0.0000 | |
| 182 | T | A | -1.6627 | |
| 183 | D | A | -2.7634 | |
| 184 | E | A | -2.9297 | |
| 185 | A | A | -1.4621 | |
| 186 | N | A | 0.0000 | |
| 187 | K | A | -1.6400 | |
| 188 | W | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | M | A | -0.3279 | |
| 192 | G | A | -0.6019 | |
| 193 | S | A | -0.6339 | |
| 194 | S | A | -0.5924 | |
| 195 | C | A | 0.0000 | |
| 196 | T | A | -0.4019 | |
| 197 | I | A | 0.0000 | |
| 198 | K | A | -1.5492 | |
| 199 | V | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | P | A | 0.5673 | |
| 202 | L | A | 0.0000 | |
| 203 | N | A | -0.2328 | |
| 204 | T | A | -0.7324 | |
| 205 | Q | A | -1.1266 | |
| 206 | T | A | -0.0765 | |
| 207 | L | A | 0.9414 | |
| 208 | G | A | 1.0634 | |
| 209 | I | A | 1.8225 | |
| 210 | G | A | 0.5816 | |
| 211 | C | A | 0.4636 | |
| 212 | L | A | 1.3462 | |
| 213 | T | A | 0.4591 | |
| 214 | T | A | -0.1456 | |
| 215 | D | A | -1.0149 | |
| 216 | T | A | -1.6485 | |
| 217 | D | A | -2.4316 | |
| 218 | T | A | -1.4690 | |
| 219 | F | A | 0.0000 | |
| 220 | E | A | -2.6628 | |
| 221 | E | A | -2.1033 | |
| 222 | V | A | -0.2642 | |
| 223 | A | A | -0.4561 | |
| 224 | T | A | -0.3035 | |
| 225 | A | A | -0.3798 | |
| 226 | E | A | -0.9386 | |
| 227 | K | A | -1.0374 | |
| 228 | L | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | I | A | -0.1019 | |
| 231 | T | A | 0.0000 | |
| 232 | D | A | -1.7418 | |
| 233 | V | A | -0.6171 | |
| 234 | V | A | 0.0662 | |
| 235 | D | A | -2.1049 | |
| 236 | G | A | -1.1369 | |
| 237 | V | A | -0.1849 | |
| 238 | N | A | -0.1181 | |
| 239 | H | A | 0.0000 | |
| 240 | K | A | 0.1116 | |
| 241 | L | A | 0.0000 | |
| 242 | N | A | -1.2171 | |
| 243 | V | A | 0.0000 | |
| 244 | T | A | -0.2179 | |
| 245 | T | A | -0.3039 | |
| 246 | A | A | -0.0788 | |
| 247 | T | A | -0.2715 | |
| 248 | C | A | 0.0000 | |
| 249 | T | A | -0.4526 | |
| 250 | I | A | 0.0000 | |
| 251 | R | A | -1.3585 | |
| 252 | N | A | -1.3101 | |
| 253 | C | A | 0.0000 | |
| 254 | K | A | -1.0004 | |
| 255 | K | A | -0.6115 | |
| 256 | L | A | 1.0245 | |
| 257 | G | A | -0.0943 | |
| 258 | P | A | -1.0596 | |
| 259 | R | A | -1.5062 | |
| 260 | E | A | -2.5251 | |
| 261 | N | A | -1.5241 | |
| 262 | V | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | V | A | 0.0000 | |
| 265 | I | A | 0.0000 | |
| 266 | Q | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | G | A | -1.7506 | |
| 269 | G | A | -1.2820 | |
| 270 | S | A | -0.4357 | |
| 271 | N | A | -0.7208 | |
| 272 | I | A | 0.5751 | |
| 273 | L | A | 0.0000 | |
| 274 | D | A | -1.2153 | |
| 275 | I | A | -0.9111 | |
| 276 | T | A | -0.7783 | |
| 277 | A | A | -1.2427 | |
| 278 | D | A | -2.0863 | |
| 279 | P | A | -1.7556 | |
| 280 | T | A | -1.1749 | |
| 281 | T | A | -0.9919 | |
| 282 | A | A | -1.0566 | |
| 283 | P | A | -1.6183 | |
| 284 | Q | A | -1.9401 | |
| 285 | T | A | -1.5943 | |
| 286 | E | A | -2.2836 | |
| 287 | R | A | -1.4291 | |
| 288 | M | A | -0.7154 | |
| 289 | M | A | -0.4593 | |
| 290 | R | A | -0.8879 | |
| 291 | I | A | 0.0000 | |
| 292 | N | A | -1.7197 | |
| 293 | W | A | -1.3464 | |
| 294 | K | A | -2.5201 | |
| 295 | K | A | -2.7381 | |
| 296 | W | A | 0.0000 | |
| 297 | W | A | -0.4775 | |
| 298 | Q | A | -0.8604 | |
| 299 | V | A | 0.0000 | |
| 300 | F | A | 0.0000 | |
| 301 | Y | A | 0.3907 | |
| 302 | T | A | -0.0198 | |
| 303 | V | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | D | A | -1.5003 | |
| 306 | Y | A | -0.5653 | |
| 307 | V | A | 0.0000 | |
| 308 | N | A | -2.1269 | |
| 309 | Q | A | -1.8829 | |
| 310 | I | A | -1.1119 | |
| 311 | V | A | -1.0356 | |
| 312 | Q | A | -1.7064 | |
| 313 | V | A | -1.1285 | |
| 314 | M | A | 0.0000 | |
| 315 | S | A | -1.6818 | |
| 316 | K | A | -2.5448 | |
| 317 | R | A | -2.1074 | |
| 318 | S | A | -1.8700 | |
| 319 | R | A | -2.0447 | |
| 320 | S | A | -0.9510 | |
| 321 | L | A | 0.3782 | |
| 322 | N | A | -0.4880 | |
| 323 | S | A | 0.3758 | |
| 324 | A | A | 0.6850 | |
| 325 | A | A | 1.3549 | |
| 326 | F | A | 2.6974 | |
| 327 | Y | A | 2.5785 | |
| 328 | Y | A | 2.1372 | |
| 329 | R | A | 0.3301 | |
| 330 | V | A | 1.4374 |
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