| Chain sequence(s) |
A: MGSSHHHHHHSSGENLYFQGAMAIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEKSLRVDALITATIEGRKVMLYTQKVRHFKEVDEPNALHLWVTDNNRTFHLGPFSVDSAENKTFANTLLYSDDALHLLQAKGDHESTAVSLAR
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] (00:00:00)
[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 A 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 (00:06:25)
[INFO] Main: Simulation completed successfully. (00:06:28)
|
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 | 0.7452 | |
| 2 | G | A | -0.2228 | |
| 3 | S | A | -0.6304 | |
| 4 | S | A | -1.1621 | |
| 5 | H | A | -2.0474 | |
| 6 | H | A | -2.3825 | |
| 7 | H | A | -2.6469 | |
| 8 | H | A | -2.6142 | |
| 9 | H | A | -2.4565 | |
| 10 | H | A | -2.1413 | |
| 11 | S | A | -1.6984 | |
| 12 | S | A | -1.7589 | |
| 13 | G | A | -1.7934 | |
| 14 | E | A | -2.0529 | |
| 15 | N | A | -0.9363 | |
| 16 | L | A | 1.1515 | |
| 17 | Y | A | 1.7244 | |
| 18 | F | A | 1.8846 | |
| 19 | Q | A | 0.2166 | |
| 20 | G | A | -0.2440 | |
| 21 | A | A | 0.1302 | |
| 22 | M | A | 0.4678 | |
| 23 | A | A | 0.3730 | |
| 24 | I | A | 0.4613 | |
| 25 | A | A | 0.3353 | |
| 26 | M | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | -0.2624 | |
| 29 | P | A | -1.1682 | |
| 30 | N | A | -2.0942 | |
| 31 | K | A | -2.3204 | |
| 32 | T | A | 0.0000 | |
| 33 | Q | A | -1.7819 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | -1.4490 | |
| 36 | P | A | 0.0000 | |
| 37 | K | A | -1.6414 | |
| 38 | S | A | -1.3686 | |
| 39 | G | A | -1.5369 | |
| 40 | G | A | -1.9960 | |
| 41 | E | A | -2.6806 | |
| 42 | G | A | -2.1978 | |
| 43 | K | A | -2.2815 | |
| 44 | V | A | -1.0291 | |
| 45 | K | A | 0.0000 | |
| 46 | D | A | -1.4089 | |
| 47 | I | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | A | A | -0.1046 | |
| 50 | S | A | -0.0121 | |
| 51 | P | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -1.0835 | |
| 56 | A | A | 0.0000 | |
| 57 | G | A | -1.5281 | |
| 58 | G | A | -1.1100 | |
| 59 | V | A | 0.0000 | |
| 60 | M | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | A | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | E | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | R | A | -0.7375 | |
| 68 | T | A | -1.2024 | |
| 69 | K | A | -1.6630 | |
| 70 | N | A | -1.6363 | |
| 71 | K | A | -1.9185 | |
| 72 | L | A | -0.6876 | |
| 73 | F | A | -0.6054 | |
| 74 | P | A | -1.1763 | |
| 75 | E | A | -1.4716 | |
| 76 | V | A | 0.2225 | |
| 77 | I | A | 0.6253 | |
| 78 | D | A | -1.6274 | |
| 79 | L | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | D | A | -0.6991 | |
| 84 | I | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | K | A | -1.4919 | |
| 91 | A | A | -1.2061 | |
| 92 | P | A | -1.6709 | |
| 93 | E | A | -2.4462 | |
| 94 | T | A | -1.6833 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -1.5080 | |
| 97 | S | A | -1.3171 | |
| 98 | L | A | 0.0000 | |
| 99 | V | A | -0.3002 | |
| 100 | A | A | -0.7888 | |
| 101 | E | A | -1.3268 | |
| 102 | V | A | 0.0000 | |
| 103 | T | A | -0.8998 | |
| 104 | K | A | -1.5965 | |
| 105 | E | A | -1.7437 | |
| 106 | Y | A | -0.1409 | |
| 107 | W | A | -0.6218 | |
| 108 | Q | A | -0.9000 | |
| 109 | A | A | 0.0000 | |
| 110 | H | A | -0.8539 | |
| 111 | T | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -1.2750 | |
| 115 | S | A | -1.0642 | |
| 116 | A | A | -1.1778 | |
| 117 | N | A | -2.3425 | |
| 118 | N | A | -2.5089 | |
| 119 | S | A | -2.1150 | |
| 120 | N | A | -2.2569 | |
| 121 | H | A | -1.7309 | |
| 122 | R | A | -2.3793 | |
| 123 | V | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | R | A | -0.6037 | |
| 128 | L | A | -0.1144 | |
| 129 | P | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | T | A | -1.2013 | |
| 134 | R | A | -2.1493 | |
| 135 | G | A | -1.8615 | |
| 136 | N | A | -2.1828 | |
| 137 | K | A | -2.5622 | |
| 138 | V | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | G | A | 0.0000 | |
| 144 | S | A | -0.5583 | |
| 145 | Y | A | -0.5495 | |
| 146 | E | A | 0.0000 | |
| 147 | E | A | -1.5163 | |
| 148 | R | A | -1.6165 | |
| 149 | R | A | -1.0644 | |
| 150 | E | A | -0.7891 | |
| 151 | I | A | 0.6369 | |
| 152 | D | A | -1.4082 | |
| 153 | D | A | -1.3476 | |
| 154 | Y | A | 0.6795 | |
| 155 | I | A | 0.3633 | |
| 156 | W | A | -0.3871 | |
| 157 | K | A | -1.3980 | |
| 158 | A | A | -0.9528 | |
| 159 | E | A | -0.9331 | |
| 160 | A | A | -0.5484 | |
| 161 | W | A | -0.6172 | |
| 162 | N | A | -1.3287 | |
| 163 | I | A | 0.0000 | |
| 164 | K | A | -0.9314 | |
| 165 | V | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | E | A | -1.3751 | |
| 168 | G | A | 0.0000 | |
| 169 | E | A | -2.7222 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | -1.7803 | |
| 172 | Q | A | -1.7980 | |
| 173 | S | A | -1.2717 | |
| 174 | T | A | -1.0186 | |
| 175 | E | A | -1.6335 | |
| 176 | V | A | 0.2780 | |
| 177 | Q | A | -1.1049 | |
| 178 | P | A | -1.2520 | |
| 179 | T | A | -0.6697 | |
| 180 | Q | A | -1.0308 | |
| 181 | P | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | N | A | -1.9229 | |
| 184 | W | A | -1.6243 | |
| 185 | S | A | -1.6146 | |
| 186 | E | A | -2.0773 | |
| 187 | P | A | -1.3257 | |
| 188 | K | A | -1.3979 | |
| 189 | P | A | -1.1715 | |
| 190 | L | A | 0.0000 | |
| 191 | F | A | -1.5758 | |
| 192 | Q | A | -2.2119 | |
| 193 | T | A | -1.6573 | |
| 194 | D | A | -2.4923 | |
| 195 | S | A | -2.4560 | |
| 196 | P | A | -2.4776 | |
| 197 | N | A | -3.5602 | |
| 198 | N | A | -3.2076 | |
| 199 | K | A | -3.3706 | |
| 200 | G | A | -3.0882 | |
| 201 | D | A | -3.7537 | |
| 202 | L | A | -2.7468 | |
| 203 | K | A | -2.5308 | |
| 204 | E | A | -1.4313 | |
| 205 | F | A | -0.4749 | |
| 206 | L | A | -0.2541 | |
| 207 | G | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | S | A | 0.1733 | |
| 212 | G | A | 0.0000 | |
| 213 | I | A | 0.4002 | |
| 214 | V | A | 0.2761 | |
| 215 | M | A | 0.0000 | |
| 216 | G | A | -1.5370 | |
| 217 | N | A | -1.7284 | |
| 218 | G | A | -1.1303 | |
| 219 | T | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | -0.4407 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -2.1368 | |
| 228 | D | A | -2.9040 | |
| 229 | E | A | -3.5177 | |
| 230 | S | A | -2.4081 | |
| 231 | N | A | -2.9708 | |
| 232 | K | A | -2.1263 | |
| 233 | V | A | -1.1323 | |
| 234 | F | A | -0.1828 | |
| 235 | S | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | Y | A | -0.6511 | |
| 240 | S | A | 0.0000 | |
| 241 | T | A | -1.6422 | |
| 242 | D | A | -2.0567 | |
| 243 | D | A | -2.6104 | |
| 244 | G | A | 0.0000 | |
| 245 | Q | A | -2.6462 | |
| 246 | K | A | -3.1292 | |
| 247 | W | A | -2.1003 | |
| 248 | E | A | -2.0499 | |
| 249 | I | A | -1.0237 | |
| 250 | P | A | 0.0000 | |
| 251 | G | A | -1.7791 | |
| 252 | G | A | -0.8891 | |
| 253 | V | A | 0.4433 | |
| 254 | S | A | 0.0000 | |
| 255 | S | A | -0.0982 | |
| 256 | V | A | 0.4822 | |
| 257 | A | A | -0.9342 | |
| 258 | C | A | 0.0000 | |
| 259 | R | A | -1.8103 | |
| 260 | S | A | -0.8497 | |
| 261 | P | A | 0.0000 | |
| 262 | R | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | E | A | -0.9484 | |
| 266 | W | A | 0.0000 | |
| 267 | E | A | -2.7019 | |
| 268 | E | A | -3.1224 | |
| 269 | G | A | -2.3851 | |
| 270 | T | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | T | A | 0.0000 | |
| 276 | Y | A | -1.6688 | |
| 277 | C | A | 0.0000 | |
| 278 | E | A | -3.2606 | |
| 279 | D | A | -3.1963 | |
| 280 | G | A | 0.0000 | |
| 281 | R | A | 0.0000 | |
| 282 | K | A | -0.9066 | |
| 283 | V | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | E | A | -0.9032 | |
| 286 | S | A | 0.0000 | |
| 287 | R | A | -2.8903 | |
| 288 | D | A | -2.0978 | |
| 289 | M | A | -1.1868 | |
| 290 | G | A | 0.0000 | |
| 291 | K | A | -2.1609 | |
| 292 | T | A | -1.3417 | |
| 293 | W | A | -0.9891 | |
| 294 | T | A | -0.6654 | |
| 295 | E | A | -0.9620 | |
| 296 | A | A | 0.0195 | |
| 297 | F | A | 1.2676 | |
| 298 | G | A | 0.0649 | |
| 299 | T | A | -0.2462 | |
| 300 | L | A | 0.0000 | |
| 301 | P | A | -0.4496 | |
| 302 | G | A | -0.1632 | |
| 303 | V | A | 0.0000 | |
| 304 | W | A | 0.0861 | |
| 305 | L | A | -0.7380 | |
| 306 | K | A | -2.2804 | |
| 307 | S | A | -2.3461 | |
| 308 | G | A | -1.7349 | |
| 309 | P | A | -1.5585 | |
| 310 | E | A | -2.1476 | |
| 311 | L | A | -1.8049 | |
| 312 | P | A | -1.9754 | |
| 313 | E | A | -3.1514 | |
| 314 | K | A | -2.5640 | |
| 315 | S | A | -1.5831 | |
| 316 | L | A | 0.0000 | |
| 317 | R | A | -1.0608 | |
| 318 | V | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | I | A | 0.2879 | |
| 323 | T | A | -0.0948 | |
| 324 | A | A | -0.8550 | |
| 325 | T | A | -1.7103 | |
| 326 | I | A | -1.7540 | |
| 327 | E | A | -2.7460 | |
| 328 | G | A | -2.3753 | |
| 329 | R | A | -3.0668 | |
| 330 | K | A | -2.5415 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | Y | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | Q | A | 0.0000 | |
| 337 | K | A | 0.0000 | |
| 338 | V | A | 0.0653 | |
| 339 | R | A | -1.1628 | |
| 340 | H | A | -1.5544 | |
| 341 | F | A | -0.0859 | |
| 342 | K | A | -2.1237 | |
| 343 | E | A | -2.5994 | |
| 344 | V | A | -0.5473 | |
| 345 | D | A | -2.5072 | |
| 346 | E | A | -2.7656 | |
| 347 | P | A | -1.5360 | |
| 348 | N | A | -1.0282 | |
| 349 | A | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | H | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | W | A | 0.3369 | |
| 354 | V | A | 0.0000 | |
| 355 | T | A | 0.0000 | |
| 356 | D | A | -1.8096 | |
| 357 | N | A | -1.9962 | |
| 358 | N | A | -2.5729 | |
| 359 | R | A | -2.3191 | |
| 360 | T | A | -0.7127 | |
| 361 | F | A | 0.9944 | |
| 362 | H | A | 0.1896 | |
| 363 | L | A | 0.9922 | |
| 364 | G | A | 0.9009 | |
| 365 | P | A | 0.8987 | |
| 366 | F | A | 0.9205 | |
| 367 | S | A | 0.6003 | |
| 368 | V | A | 0.4873 | |
| 369 | D | A | -0.9004 | |
| 370 | S | A | -1.4458 | |
| 371 | A | A | -1.5250 | |
| 372 | E | A | -2.9349 | |
| 373 | N | A | -2.6279 | |
| 374 | K | A | -2.0198 | |
| 375 | T | A | 0.0000 | |
| 376 | F | A | -0.6982 | |
| 377 | A | A | -0.2529 | |
| 378 | N | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | L | A | -0.0253 | |
| 382 | Y | A | -0.4654 | |
| 383 | S | A | -1.2761 | |
| 384 | D | A | -2.8640 | |
| 385 | D | A | -2.6830 | |
| 386 | A | A | -1.6067 | |
| 387 | L | A | -0.8474 | |
| 388 | H | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | Q | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | K | A | -1.4344 | |
| 394 | G | A | 0.0000 | |
| 395 | D | A | -2.8962 | |
| 396 | H | A | -2.8016 | |
| 397 | E | A | -3.0287 | |
| 398 | S | A | -2.1669 | |
| 399 | T | A | 0.0000 | |
| 400 | A | A | -0.3210 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.2324 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | R | A | -1.4728 |
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