| Chain sequence(s) |
A: MALAAAATTFRPRLVVTAKADNTDTRRRHWKAGEFPFPTSSDTPRRSARTAERPPDKPRDEDGDSSRRTGRRHWKAGEFPGTQEDSRRPRRSPIKNVKKRLDARAEAKAWACTVTEALADRIDAKNWQEALQVFQMLKEQPFYHPKEGTFMKLLLLLGRSGQPSRARYLFDEMLQQGCQPTPELYTALIAAYCRNGLLDDAFRLLADMKASPVCQPDVYTYSTIIKACVDASRFDIVDAMYKDMADRSIAPNTVTQNIVLSGYGRAGRLDDMEKVLSAMLDSTTSKPDVWTMNIILSLFGNRGQIESMEKWYEKFRGYGIEPETRTLNILIGAYGKKRMYDKMSAVMEYMRKLAFPWTTATFNNVIEAFADAGDAKNMEHTFNQMRAEGMKPDTKTFCCLINGFGNAGLFHKVVGMVKLAERLGVPMDTTFHNAVLMTCVKAEDLMEMERVFMRMKQIQCIPDATTYSILVGAYRKEGMTDKIYVLQQENPTLVPTDLVHV
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 (00:13:56)
[INFO] Main: Simulation completed successfully. (00:14:02)
|
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 | 1.4399 | |
| 2 | A | A | 1.4663 | |
| 3 | L | A | 1.8686 | |
| 4 | A | A | 0.8948 | |
| 5 | A | A | 0.4384 | |
| 6 | A | A | 0.2716 | |
| 7 | A | A | 0.2937 | |
| 8 | T | A | 0.2702 | |
| 9 | T | A | 0.3485 | |
| 10 | F | A | 0.7696 | |
| 11 | R | A | -1.3009 | |
| 12 | P | A | -0.8231 | |
| 13 | R | A | -0.6958 | |
| 14 | L | A | 1.7153 | |
| 15 | V | A | 2.8489 | |
| 16 | V | A | 2.6075 | |
| 17 | T | A | 1.0467 | |
| 18 | A | A | -0.3085 | |
| 19 | K | A | -2.0423 | |
| 20 | A | A | -1.9308 | |
| 21 | D | A | -3.0290 | |
| 22 | N | A | -2.7613 | |
| 23 | T | A | -2.2561 | |
| 24 | D | A | -3.1680 | |
| 25 | T | A | -2.8008 | |
| 26 | R | A | -3.9499 | |
| 27 | R | A | -4.1088 | |
| 28 | R | A | -3.7043 | |
| 29 | H | A | -2.8256 | |
| 30 | W | A | -1.7733 | |
| 31 | K | A | -2.3716 | |
| 32 | A | A | -1.5806 | |
| 33 | G | A | -1.1979 | |
| 34 | E | A | -1.2927 | |
| 35 | F | A | -0.2450 | |
| 36 | P | A | 0.3760 | |
| 37 | F | A | 1.3568 | |
| 38 | P | A | 0.2462 | |
| 39 | T | A | -0.6940 | |
| 40 | S | A | -0.6369 | |
| 41 | S | A | -1.2821 | |
| 42 | D | A | -2.2536 | |
| 43 | T | A | -1.7625 | |
| 44 | P | A | -2.1194 | |
| 45 | R | A | -3.1211 | |
| 46 | R | A | -2.8980 | |
| 47 | S | A | -2.0236 | |
| 48 | A | A | -1.5636 | |
| 49 | R | A | -1.8884 | |
| 50 | T | A | -1.3703 | |
| 51 | A | A | -1.7252 | |
| 52 | E | A | -2.7744 | |
| 53 | R | A | -3.0755 | |
| 54 | P | A | -2.0572 | |
| 55 | P | A | -2.2165 | |
| 56 | D | A | -3.0601 | |
| 57 | K | A | -3.1151 | |
| 58 | P | A | -2.7941 | |
| 59 | R | A | -3.8125 | |
| 60 | D | A | -4.0856 | |
| 61 | E | A | -4.2036 | |
| 62 | D | A | -3.8913 | |
| 63 | G | A | -2.6139 | |
| 64 | D | A | -2.5796 | |
| 65 | S | A | -1.6971 | |
| 66 | S | A | -2.0232 | |
| 67 | R | A | -2.9900 | |
| 68 | R | A | -3.1892 | |
| 69 | T | A | -2.2671 | |
| 70 | G | A | -2.7395 | |
| 71 | R | A | -3.2539 | |
| 72 | R | A | -3.2728 | |
| 73 | H | A | -2.2365 | |
| 74 | W | A | -1.2520 | |
| 75 | K | A | -1.9530 | |
| 76 | A | A | -0.7764 | |
| 77 | G | A | -0.6448 | |
| 78 | E | A | -0.5484 | |
| 79 | F | A | 0.8968 | |
| 80 | P | A | 0.0937 | |
| 81 | G | A | -0.6560 | |
| 82 | T | A | -1.2993 | |
| 83 | Q | A | -2.6851 | |
| 84 | E | A | -3.5804 | |
| 85 | D | A | -3.4606 | |
| 86 | S | A | -2.9322 | |
| 87 | R | A | -3.6419 | |
| 88 | R | A | -3.4845 | |
| 89 | P | A | -2.9082 | |
| 90 | R | A | -3.5765 | |
| 91 | R | A | -3.2734 | |
| 92 | S | A | -1.6237 | |
| 93 | P | A | -0.9220 | |
| 94 | I | A | -0.1177 | |
| 95 | K | A | -2.1723 | |
| 96 | N | A | -2.2649 | |
| 97 | V | A | -0.6961 | |
| 98 | K | A | -2.6730 | |
| 99 | K | A | -3.4476 | |
| 100 | R | A | -2.7890 | |
| 101 | L | A | -1.9759 | |
| 102 | D | A | -3.5459 | |
| 103 | A | A | -2.9068 | |
| 104 | R | A | -3.1460 | |
| 105 | A | A | -2.5905 | |
| 106 | E | A | -2.9612 | |
| 107 | A | A | -1.8830 | |
| 108 | K | A | -2.0190 | |
| 109 | A | A | -1.1984 | |
| 110 | W | A | -0.8423 | |
| 111 | A | A | -0.5673 | |
| 112 | C | A | -0.5762 | |
| 113 | T | A | -0.4776 | |
| 114 | V | A | 0.0000 | |
| 115 | T | A | -0.8310 | |
| 116 | E | A | -1.8464 | |
| 117 | A | A | -1.6613 | |
| 118 | L | A | 0.0000 | |
| 119 | A | A | -2.2403 | |
| 120 | D | A | -3.1752 | |
| 121 | R | A | -2.8414 | |
| 122 | I | A | -2.5148 | |
| 123 | D | A | -3.0871 | |
| 124 | A | A | -2.3083 | |
| 125 | K | A | -3.0147 | |
| 126 | N | A | -2.3659 | |
| 127 | W | A | -2.0040 | |
| 128 | Q | A | -2.1727 | |
| 129 | E | A | -2.3635 | |
| 130 | A | A | 0.0000 | |
| 131 | L | A | -1.3004 | |
| 132 | Q | A | -1.7573 | |
| 133 | V | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | Q | A | -1.4677 | |
| 136 | M | A | -0.8489 | |
| 137 | L | A | 0.0000 | |
| 138 | K | A | -1.5819 | |
| 139 | E | A | -2.1372 | |
| 140 | Q | A | -1.1271 | |
| 141 | P | A | -0.5924 | |
| 142 | F | A | -0.0587 | |
| 143 | Y | A | -0.5709 | |
| 144 | H | A | -1.5554 | |
| 145 | P | A | 0.0000 | |
| 146 | K | A | -1.7564 | |
| 147 | E | A | -1.9740 | |
| 148 | G | A | -1.3270 | |
| 149 | T | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | M | A | -1.0171 | |
| 152 | K | A | -1.2426 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | L | A | -0.1748 | |
| 156 | L | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | R | A | -2.4141 | |
| 160 | S | A | -1.7359 | |
| 161 | G | A | -1.5723 | |
| 162 | Q | A | -1.2593 | |
| 163 | P | A | -1.1660 | |
| 164 | S | A | -0.6831 | |
| 165 | R | A | -0.9254 | |
| 166 | A | A | 0.0000 | |
| 167 | R | A | -0.7464 | |
| 168 | Y | A | 0.2459 | |
| 169 | L | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | D | A | -1.1486 | |
| 172 | E | A | -1.1395 | |
| 173 | M | A | 0.0000 | |
| 174 | L | A | -1.0043 | |
| 175 | Q | A | -2.0651 | |
| 176 | Q | A | -2.1837 | |
| 177 | G | A | -1.5012 | |
| 178 | C | A | -1.6604 | |
| 179 | Q | A | -1.2744 | |
| 180 | P | A | -0.7522 | |
| 181 | T | A | -0.8892 | |
| 182 | P | A | -0.8570 | |
| 183 | E | A | -1.8077 | |
| 184 | L | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | T | A | -0.3988 | |
| 187 | A | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | C | A | -1.5723 | |
| 194 | R | A | -2.7714 | |
| 195 | N | A | -1.6604 | |
| 196 | G | A | -1.3991 | |
| 197 | L | A | -0.6845 | |
| 198 | L | A | -1.2277 | |
| 199 | D | A | -2.3364 | |
| 200 | D | A | -2.0606 | |
| 201 | A | A | 0.0000 | |
| 202 | F | A | -1.5776 | |
| 203 | R | A | -2.9668 | |
| 204 | L | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | A | A | -1.7873 | |
| 207 | D | A | -2.4916 | |
| 208 | M | A | 0.0000 | |
| 209 | K | A | -1.6618 | |
| 210 | A | A | -0.8402 | |
| 211 | S | A | -0.3879 | |
| 212 | P | A | 0.3224 | |
| 213 | V | A | 1.2133 | |
| 214 | C | A | 0.0000 | |
| 215 | Q | A | -1.1319 | |
| 216 | P | A | 0.0000 | |
| 217 | D | A | -0.5742 | |
| 218 | V | A | 0.8034 | |
| 219 | Y | A | 1.1066 | |
| 220 | T | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | T | A | -0.2831 | |
| 224 | I | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | K | A | -2.2194 | |
| 227 | A | A | -1.8997 | |
| 228 | C | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | D | A | -2.8863 | |
| 231 | A | A | -1.5672 | |
| 232 | S | A | -1.9130 | |
| 233 | R | A | -2.4281 | |
| 234 | F | A | 0.0000 | |
| 235 | D | A | -2.5604 | |
| 236 | I | A | -1.6290 | |
| 237 | V | A | 0.0000 | |
| 238 | D | A | -2.6862 | |
| 239 | A | A | -1.6582 | |
| 240 | M | A | -1.3106 | |
| 241 | Y | A | -1.5720 | |
| 242 | K | A | -2.8020 | |
| 243 | D | A | -2.3201 | |
| 244 | M | A | 0.0000 | |
| 245 | A | A | -2.0056 | |
| 246 | D | A | -3.1640 | |
| 247 | R | A | -3.1897 | |
| 248 | S | A | -1.7385 | |
| 249 | I | A | -0.9218 | |
| 250 | A | A | -0.1703 | |
| 251 | P | A | 0.3221 | |
| 252 | N | A | 0.1414 | |
| 253 | T | A | 0.0873 | |
| 254 | V | A | 1.4414 | |
| 255 | T | A | 0.0000 | |
| 256 | Q | A | 0.0000 | |
| 257 | N | A | 0.0000 | |
| 258 | I | A | -0.0827 | |
| 259 | V | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | S | A | -0.8032 | |
| 262 | G | A | 0.0000 | |
| 263 | Y | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | R | A | -2.3157 | |
| 266 | A | A | -1.4079 | |
| 267 | G | A | -1.4854 | |
| 268 | R | A | -1.8631 | |
| 269 | L | A | -1.6789 | |
| 270 | D | A | -2.7050 | |
| 271 | D | A | -2.1125 | |
| 272 | M | A | 0.0000 | |
| 273 | E | A | -2.2423 | |
| 274 | K | A | -2.4849 | |
| 275 | V | A | -1.3177 | |
| 276 | L | A | 0.0000 | |
| 277 | S | A | -1.3265 | |
| 278 | A | A | -1.3075 | |
| 279 | M | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | D | A | -2.0437 | |
| 282 | S | A | -1.2817 | |
| 283 | T | A | -0.8380 | |
| 284 | T | A | -0.7486 | |
| 285 | S | A | 0.0000 | |
| 286 | K | A | -1.8081 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -0.5886 | |
| 289 | V | A | -0.2383 | |
| 290 | W | A | 0.6075 | |
| 291 | T | A | 0.0000 | |
| 292 | M | A | 0.0000 | |
| 293 | N | A | -0.2219 | |
| 294 | I | A | 0.4826 | |
| 295 | I | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | S | A | -0.3894 | |
| 298 | L | A | -0.9118 | |
| 299 | F | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | N | A | -2.1411 | |
| 302 | R | A | -1.9839 | |
| 303 | G | A | 0.0000 | |
| 304 | Q | A | -1.9542 | |
| 305 | I | A | 0.0000 | |
| 306 | E | A | -2.6104 | |
| 307 | S | A | -2.0153 | |
| 308 | M | A | 0.0000 | |
| 309 | E | A | -2.1526 | |
| 310 | K | A | -3.1405 | |
| 311 | W | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | E | A | -2.9937 | |
| 314 | K | A | -2.1031 | |
| 315 | F | A | 0.0000 | |
| 316 | R | A | -1.7973 | |
| 317 | G | A | -1.1794 | |
| 318 | Y | A | -0.3321 | |
| 319 | G | A | -0.9416 | |
| 320 | I | A | -1.1458 | |
| 321 | E | A | -1.9823 | |
| 322 | P | A | 0.0000 | |
| 323 | E | A | -2.3785 | |
| 324 | T | A | -1.6039 | |
| 325 | R | A | -2.1694 | |
| 326 | T | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | I | A | -0.4487 | |
| 330 | L | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | G | A | -1.2560 | |
| 333 | A | A | 0.0000 | |
| 334 | Y | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | K | A | -3.2967 | |
| 337 | K | A | -2.9030 | |
| 338 | R | A | -3.0863 | |
| 339 | M | A | -1.6880 | |
| 340 | Y | A | -1.3391 | |
| 341 | D | A | -1.9136 | |
| 342 | K | A | -1.0004 | |
| 343 | M | A | 0.0000 | |
| 344 | S | A | -1.0901 | |
| 345 | A | A | -1.0844 | |
| 346 | V | A | 0.0000 | |
| 347 | M | A | -1.6531 | |
| 348 | E | A | -2.7499 | |
| 349 | Y | A | 0.0000 | |
| 350 | M | A | 0.0000 | |
| 351 | R | A | -2.8397 | |
| 352 | K | A | -2.4015 | |
| 353 | L | A | -0.6206 | |
| 354 | A | A | -0.6625 | |
| 355 | F | A | -0.4564 | |
| 356 | P | A | -0.3768 | |
| 357 | W | A | -0.5573 | |
| 358 | T | A | -0.4279 | |
| 359 | T | A | -0.6871 | |
| 360 | A | A | -0.5697 | |
| 361 | T | A | 0.0000 | |
| 362 | F | A | 0.0000 | |
| 363 | N | A | 0.0000 | |
| 364 | N | A | -1.0827 | |
| 365 | V | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | E | A | -2.2746 | |
| 368 | A | A | 0.0000 | |
| 369 | F | A | -1.7589 | |
| 370 | A | A | 0.0000 | |
| 371 | D | A | -3.0782 | |
| 372 | A | A | -1.8790 | |
| 373 | G | A | -1.6427 | |
| 374 | D | A | -1.6598 | |
| 375 | A | A | -1.7401 | |
| 376 | K | A | -2.4475 | |
| 377 | N | A | -1.9653 | |
| 378 | M | A | 0.0000 | |
| 379 | E | A | -2.0611 | |
| 380 | H | A | -2.3662 | |
| 381 | T | A | 0.0000 | |
| 382 | F | A | 0.0000 | |
| 383 | N | A | -2.6493 | |
| 384 | Q | A | -2.3082 | |
| 385 | M | A | 0.0000 | |
| 386 | R | A | -2.7876 | |
| 387 | A | A | -1.9513 | |
| 388 | E | A | -2.6646 | |
| 389 | G | A | -2.0531 | |
| 390 | M | A | -1.8700 | |
| 391 | K | A | -2.3558 | |
| 392 | P | A | 0.0000 | |
| 393 | D | A | -1.7018 | |
| 394 | T | A | -1.3072 | |
| 395 | K | A | -1.8188 | |
| 396 | T | A | 0.0000 | |
| 397 | F | A | 0.0000 | |
| 398 | C | A | 0.0000 | |
| 399 | C | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | I | A | 0.0000 | |
| 402 | N | A | -1.2189 | |
| 403 | G | A | 0.0000 | |
| 404 | F | A | 0.0000 | |
| 405 | G | A | -0.9437 | |
| 406 | N | A | -1.6376 | |
| 407 | A | A | -1.0382 | |
| 408 | G | A | -0.8745 | |
| 409 | L | A | -0.1590 | |
| 410 | F | A | -0.5244 | |
| 411 | H | A | -0.8414 | |
| 412 | K | A | -0.7410 | |
| 413 | V | A | 0.0000 | |
| 414 | V | A | 0.0084 | |
| 415 | G | A | -0.5442 | |
| 416 | M | A | -0.7331 | |
| 417 | V | A | -0.9497 | |
| 418 | K | A | -2.1861 | |
| 419 | L | A | -1.5042 | |
| 420 | A | A | 0.0000 | |
| 421 | E | A | -3.0958 | |
| 422 | R | A | -2.9193 | |
| 423 | L | A | -1.7726 | |
| 424 | G | A | -1.5816 | |
| 425 | V | A | 0.0000 | |
| 426 | P | A | -1.0988 | |
| 427 | M | A | -0.7036 | |
| 428 | D | A | -0.6599 | |
| 429 | T | A | -0.1907 | |
| 430 | T | A | -0.6709 | |
| 431 | F | A | 0.0000 | |
| 432 | H | A | 0.0000 | |
| 433 | N | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | M | A | -0.1839 | |
| 438 | T | A | 0.0000 | |
| 439 | C | A | 0.0000 | |
| 440 | V | A | -1.1703 | |
| 441 | K | A | -1.9720 | |
| 442 | A | A | -1.6318 | |
| 443 | E | A | -2.6487 | |
| 444 | D | A | -1.3568 | |
| 445 | L | A | -0.8895 | |
| 446 | M | A | -0.1561 | |
| 447 | E | A | -0.9461 | |
| 448 | M | A | 0.0000 | |
| 449 | E | A | -0.9187 | |
| 450 | R | A | -1.7566 | |
| 451 | V | A | 0.0000 | |
| 452 | F | A | 0.0000 | |
| 453 | M | A | -0.6228 | |
| 454 | R | A | -1.1577 | |
| 455 | M | A | 0.0000 | |
| 456 | K | A | -0.5795 | |
| 457 | Q | A | -1.1309 | |
| 458 | I | A | 0.3276 | |
| 459 | Q | A | -0.5891 | |
| 460 | C | A | 0.1690 | |
| 461 | I | A | 1.4503 | |
| 462 | P | A | 0.2056 | |
| 463 | D | A | -0.2414 | |
| 464 | A | A | -0.3206 | |
| 465 | T | A | -0.2640 | |
| 466 | T | A | 0.0000 | |
| 467 | Y | A | 0.0000 | |
| 468 | S | A | -0.1713 | |
| 469 | I | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | V | A | 0.0000 | |
| 472 | G | A | -1.0920 | |
| 473 | A | A | 0.0000 | |
| 474 | Y | A | 0.0000 | |
| 475 | R | A | -2.5113 | |
| 476 | K | A | -3.3516 | |
| 477 | E | A | -3.3190 | |
| 478 | G | A | -2.4379 | |
| 479 | M | A | -1.7242 | |
| 480 | T | A | -1.3041 | |
| 481 | D | A | -1.2753 | |
| 482 | K | A | -0.7717 | |
| 483 | I | A | 0.0000 | |
| 484 | Y | A | 0.8797 | |
| 485 | V | A | 0.8610 | |
| 486 | L | A | 0.0000 | |
| 487 | Q | A | -0.4662 | |
| 488 | Q | A | -1.1572 | |
| 489 | E | A | -1.3546 | |
| 490 | N | A | -1.1818 | |
| 491 | P | A | -0.7740 | |
| 492 | T | A | -0.4798 | |
| 493 | L | A | -0.2531 | |
| 494 | V | A | 0.0000 | |
| 495 | P | A | -0.7900 | |
| 496 | T | A | -0.7261 | |
| 497 | D | A | -1.5777 | |
| 498 | L | A | -0.3671 | |
| 499 | V | A | -0.3264 | |
| 500 | H | A | -0.5021 | |
| 501 | V | A | 0.9659 |
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