| Chain sequence(s) |
A: SDTHIFIIMGASGDLAKKKIYPTIWWLFRDGLLPENTFIVGYARSRLTVADIRKQSEPFFKATPEEKLKLEDFFARNSYVAGQYDDAASYQRLNSHMNALHLGSQANRLFYLALPPTVYEAVTKNIHESCMSQIGWNRIIVEKPFGRDLQSSDRLSNHISSLFREDQIYRIDHYLGKEMVQNLMVLRFANRIFGPIWNRDNIACVILTFKEPFGTEGRGGYFDEFGIIRDVMQNHLLQMLCLVAMEKPASTNSDDVRDEKVKVLKCISEVQANNVVLGQYVGNPDGEGEATKGYLDDPTVPRGSTTATFAAVVLYVENERWDGVPFILRCGKALNERKAEVRLQFHDVAGDIFHQQCKRNELVIRVQPNEAVYTKMMTKKPGMFFNPEESELDLTYGNRYKNVKLPDAYERLILDVFCGSQMHFVRSDELLEAWRIFTPLLHQIELEKPKPIPYIYGSRGPTEADELMKRVGFQYEGTYKWVNPH
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 (00:08:15)
[INFO] Main: Simulation completed successfully. (00:08:20)
|
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 | |
| 29 | S | A | -1.0642 | |
| 30 | D | A | -1.0900 | |
| 31 | T | A | 0.0000 | |
| 32 | H | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | F | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | M | A | 0.0000 | |
| 38 | G | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | S | A | -1.2257 | |
| 41 | G | A | -1.5663 | |
| 42 | D | A | -2.5657 | |
| 43 | L | A | -1.4319 | |
| 44 | A | A | 0.0000 | |
| 45 | K | A | -2.4431 | |
| 46 | K | A | -2.5301 | |
| 47 | K | A | -1.4928 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.0000 | |
| 50 | P | A | 0.0000 | |
| 51 | T | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | W | A | 0.0000 | |
| 54 | W | A | -0.4249 | |
| 55 | L | A | 0.0000 | |
| 56 | F | A | -0.7554 | |
| 57 | R | A | -1.3248 | |
| 58 | D | A | -1.6316 | |
| 59 | G | A | -1.0166 | |
| 60 | L | A | 0.1343 | |
| 61 | L | A | 0.0000 | |
| 62 | P | A | -0.9095 | |
| 63 | E | A | -2.0242 | |
| 64 | N | A | -1.4634 | |
| 65 | T | A | 0.0000 | |
| 66 | F | A | -0.2424 | |
| 67 | I | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | Y | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | R | A | -2.3015 | |
| 73 | S | A | -1.8288 | |
| 74 | R | A | -2.1684 | |
| 75 | L | A | -0.8583 | |
| 76 | T | A | -0.4092 | |
| 77 | V | A | -0.0994 | |
| 78 | A | A | -0.5502 | |
| 79 | D | A | -1.2480 | |
| 80 | I | A | 0.0000 | |
| 81 | R | A | -1.6429 | |
| 82 | K | A | -2.5055 | |
| 83 | Q | A | -2.3311 | |
| 84 | S | A | 0.0000 | |
| 85 | E | A | -1.6595 | |
| 86 | P | A | -1.2179 | |
| 87 | F | A | -0.5129 | |
| 88 | F | A | 0.0000 | |
| 89 | K | A | -1.5445 | |
| 90 | A | A | -1.6153 | |
| 91 | T | A | -1.5475 | |
| 92 | P | A | -1.7076 | |
| 93 | E | A | -2.4668 | |
| 94 | E | A | -2.3653 | |
| 95 | K | A | -2.4122 | |
| 96 | L | A | -0.8502 | |
| 97 | K | A | -2.1757 | |
| 98 | L | A | 0.0000 | |
| 99 | E | A | -1.5765 | |
| 100 | D | A | -1.8373 | |
| 101 | F | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | A | A | -0.7665 | |
| 104 | R | A | -0.5992 | |
| 105 | N | A | 0.0000 | |
| 106 | S | A | 0.1090 | |
| 107 | Y | A | -0.0554 | |
| 108 | V | A | 0.0000 | |
| 109 | A | A | -1.3521 | |
| 110 | G | A | 0.0000 | |
| 111 | Q | A | -2.0209 | |
| 112 | Y | A | 0.0000 | |
| 113 | D | A | -2.6473 | |
| 114 | D | A | -2.0115 | |
| 115 | A | A | -1.7213 | |
| 116 | A | A | -1.2312 | |
| 117 | S | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | Q | A | -2.1808 | |
| 120 | R | A | -2.0727 | |
| 121 | L | A | 0.0000 | |
| 122 | N | A | -1.3949 | |
| 123 | S | A | -1.4352 | |
| 124 | H | A | -1.1147 | |
| 125 | M | A | 0.0000 | |
| 126 | N | A | -1.1314 | |
| 127 | A | A | -0.4458 | |
| 128 | L | A | -0.3167 | |
| 129 | H | A | -0.5753 | |
| 130 | L | A | 0.1061 | |
| 131 | G | A | 0.0000 | |
| 132 | S | A | -0.3621 | |
| 133 | Q | A | -0.1883 | |
| 134 | A | A | 0.0000 | |
| 135 | N | A | 0.0000 | |
| 136 | R | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | L | A | -0.1108 | |
| 143 | P | A | -0.2404 | |
| 144 | P | A | -0.4381 | |
| 145 | T | A | -0.2554 | |
| 146 | V | A | -0.5853 | |
| 147 | Y | A | 0.0000 | |
| 148 | E | A | -1.8161 | |
| 149 | A | A | -1.5709 | |
| 150 | V | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | K | A | -2.4208 | |
| 153 | N | A | 0.0000 | |
| 154 | I | A | 0.0000 | |
| 155 | H | A | -1.6729 | |
| 156 | E | A | -2.4423 | |
| 157 | S | A | -1.6910 | |
| 158 | C | A | 0.0000 | |
| 159 | M | A | -0.3827 | |
| 160 | S | A | 0.0000 | |
| 161 | Q | A | -0.2765 | |
| 162 | I | A | 1.2726 | |
| 163 | G | A | 0.4540 | |
| 164 | W | A | 0.2541 | |
| 165 | N | A | 0.0000 | |
| 166 | R | A | -0.7180 | |
| 167 | I | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | E | A | -0.5055 | |
| 171 | K | A | -0.9229 | |
| 172 | P | A | -0.8317 | |
| 173 | F | A | 0.0000 | |
| 174 | G | A | -1.3325 | |
| 175 | R | A | -1.5812 | |
| 176 | D | A | -1.1190 | |
| 177 | L | A | -0.9497 | |
| 178 | Q | A | -1.9236 | |
| 179 | S | A | -1.8226 | |
| 180 | S | A | 0.0000 | |
| 181 | D | A | -2.2927 | |
| 182 | R | A | -3.0387 | |
| 183 | L | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | N | A | -2.3008 | |
| 186 | H | A | -1.9063 | |
| 187 | I | A | 0.0000 | |
| 188 | S | A | -1.5532 | |
| 189 | S | A | -1.0597 | |
| 190 | L | A | -1.2240 | |
| 191 | F | A | 0.0000 | |
| 192 | R | A | -2.6163 | |
| 193 | E | A | -2.1537 | |
| 194 | D | A | -2.2985 | |
| 195 | Q | A | -1.5951 | |
| 196 | I | A | 0.0000 | |
| 197 | Y | A | 0.0000 | |
| 198 | R | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | D | A | 0.0000 | |
| 201 | H | A | -0.5247 | |
| 202 | Y | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | K | A | -1.0444 | |
| 206 | E | A | -0.9493 | |
| 207 | M | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | Q | A | -0.2302 | |
| 210 | N | A | 0.1781 | |
| 211 | L | A | 0.0000 | |
| 212 | M | A | 0.7634 | |
| 213 | V | A | 1.8364 | |
| 214 | L | A | 1.0083 | |
| 215 | R | A | 0.0000 | |
| 216 | F | A | 0.3325 | |
| 217 | A | A | 0.5014 | |
| 218 | N | A | -0.2587 | |
| 219 | R | A | -1.0053 | |
| 220 | I | A | 1.1027 | |
| 221 | F | A | 0.5153 | |
| 222 | G | A | -0.1957 | |
| 223 | P | A | -0.3823 | |
| 224 | I | A | -0.1102 | |
| 225 | W | A | 0.0000 | |
| 226 | N | A | -1.8366 | |
| 227 | R | A | -2.8513 | |
| 228 | D | A | -2.7166 | |
| 229 | N | A | -1.7118 | |
| 230 | I | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | C | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | K | A | -1.3500 | |
| 239 | E | A | -1.3302 | |
| 240 | P | A | -1.2477 | |
| 241 | F | A | -0.7941 | |
| 242 | G | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | E | A | -2.9335 | |
| 245 | G | A | -2.3918 | |
| 246 | R | A | -2.2967 | |
| 247 | G | A | 0.0000 | |
| 248 | G | A | -0.6908 | |
| 249 | Y | A | 0.1527 | |
| 250 | F | A | 0.0000 | |
| 251 | D | A | -1.0061 | |
| 252 | E | A | -1.6537 | |
| 253 | F | A | -0.8233 | |
| 254 | G | A | -0.4443 | |
| 255 | I | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | R | A | -0.8172 | |
| 258 | D | A | -0.6505 | |
| 259 | V | A | 0.0000 | |
| 260 | M | A | 0.0000 | |
| 261 | Q | A | 0.0000 | |
| 262 | N | A | -0.3488 | |
| 263 | H | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | Q | A | 0.0000 | |
| 267 | M | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | C | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | A | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | E | A | -1.6706 | |
| 275 | K | A | -1.9183 | |
| 276 | P | A | -1.7201 | |
| 277 | A | A | -1.1491 | |
| 278 | S | A | -1.0996 | |
| 279 | T | A | -1.1876 | |
| 280 | N | A | -1.9554 | |
| 281 | S | A | -1.5435 | |
| 282 | D | A | -2.2203 | |
| 283 | D | A | -2.2384 | |
| 284 | V | A | 0.0000 | |
| 285 | R | A | 0.0000 | |
| 286 | D | A | -2.8198 | |
| 287 | E | A | 0.0000 | |
| 288 | K | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | K | A | -2.4772 | |
| 291 | V | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | K | A | -2.4322 | |
| 294 | C | A | -1.8398 | |
| 295 | I | A | 0.0000 | |
| 296 | S | A | -1.5142 | |
| 297 | E | A | -1.7527 | |
| 298 | V | A | 0.0000 | |
| 299 | Q | A | -1.8698 | |
| 300 | A | A | -1.1889 | |
| 301 | N | A | -1.5568 | |
| 302 | N | A | -1.0587 | |
| 303 | V | A | -0.4331 | |
| 304 | V | A | -0.2315 | |
| 305 | L | A | -0.0409 | |
| 306 | G | A | 0.0000 | |
| 307 | Q | A | -0.0006 | |
| 308 | Y | A | 0.0000 | |
| 309 | V | A | 0.1185 | |
| 310 | G | A | -1.5474 | |
| 311 | N | A | -1.6482 | |
| 312 | P | A | -1.6934 | |
| 313 | D | A | -2.4866 | |
| 314 | G | A | -2.6569 | |
| 315 | E | A | -3.2174 | |
| 316 | G | A | -2.4768 | |
| 317 | E | A | -3.5385 | |
| 318 | A | A | -2.3532 | |
| 319 | T | A | -2.7275 | |
| 320 | K | A | -3.2078 | |
| 321 | G | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | L | A | -1.3586 | |
| 324 | D | A | -2.6479 | |
| 325 | D | A | 0.0000 | |
| 326 | P | A | -1.3500 | |
| 327 | T | A | -1.0504 | |
| 328 | V | A | 0.0000 | |
| 329 | P | A | -1.5077 | |
| 330 | R | A | -2.3770 | |
| 331 | G | A | -1.5590 | |
| 332 | S | A | -1.3357 | |
| 333 | T | A | -1.3681 | |
| 334 | T | A | -1.0003 | |
| 335 | A | A | -0.2063 | |
| 336 | T | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | Y | A | -0.5435 | |
| 344 | V | A | 0.0000 | |
| 345 | E | A | -2.9179 | |
| 346 | N | A | -2.8406 | |
| 347 | E | A | -3.0687 | |
| 348 | R | A | -2.6711 | |
| 349 | W | A | 0.0000 | |
| 350 | D | A | -3.0826 | |
| 351 | G | A | -1.7154 | |
| 352 | V | A | 0.0000 | |
| 353 | P | A | 0.0000 | |
| 354 | F | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | R | A | 0.0000 | |
| 358 | C | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | K | A | -0.7428 | |
| 361 | A | A | 0.0000 | |
| 362 | L | A | 0.0000 | |
| 363 | N | A | -2.0276 | |
| 364 | E | A | -2.0860 | |
| 365 | R | A | -2.2369 | |
| 366 | K | A | -1.6905 | |
| 367 | A | A | 0.0000 | |
| 368 | E | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | R | A | -0.3766 | |
| 371 | L | A | 0.0000 | |
| 372 | Q | A | 0.0000 | |
| 373 | F | A | -0.9418 | |
| 374 | H | A | -1.6948 | |
| 375 | D | A | -1.6697 | |
| 376 | V | A | 0.5789 | |
| 377 | A | A | 0.1888 | |
| 378 | G | A | -0.0111 | |
| 379 | D | A | -0.1379 | |
| 380 | I | A | 1.5398 | |
| 381 | F | A | 0.5638 | |
| 382 | H | A | -1.0043 | |
| 383 | Q | A | -1.7263 | |
| 384 | Q | A | -1.1535 | |
| 385 | C | A | -0.7236 | |
| 386 | K | A | -1.1997 | |
| 387 | R | A | -1.1527 | |
| 388 | N | A | -0.7261 | |
| 389 | E | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | I | A | 0.0000 | |
| 393 | R | A | -0.7918 | |
| 394 | V | A | 0.0000 | |
| 395 | Q | A | -1.3702 | |
| 396 | P | A | -1.5045 | |
| 397 | N | A | -1.9199 | |
| 398 | E | A | -1.3133 | |
| 399 | A | A | 0.0000 | |
| 400 | V | A | 0.0000 | |
| 401 | Y | A | 0.0000 | |
| 402 | T | A | -0.0715 | |
| 403 | K | A | -0.2334 | |
| 404 | M | A | 0.0733 | |
| 405 | M | A | -0.5549 | |
| 406 | T | A | -0.6988 | |
| 407 | K | A | -0.8429 | |
| 408 | K | A | -0.4741 | |
| 409 | P | A | -0.2981 | |
| 410 | G | A | 0.3887 | |
| 411 | M | A | 1.6795 | |
| 412 | F | A | 2.2727 | |
| 413 | F | A | 2.1773 | |
| 414 | N | A | 0.4337 | |
| 415 | P | A | 0.0000 | |
| 416 | E | A | -0.8231 | |
| 417 | E | A | 0.0000 | |
| 418 | S | A | -0.5529 | |
| 419 | E | A | -0.1712 | |
| 420 | L | A | 0.5648 | |
| 421 | D | A | -0.4880 | |
| 422 | L | A | -0.6295 | |
| 423 | T | A | -1.5779 | |
| 424 | Y | A | -1.5656 | |
| 425 | G | A | -2.2272 | |
| 426 | N | A | -3.0997 | |
| 427 | R | A | -2.5609 | |
| 428 | Y | A | -1.4516 | |
| 429 | K | A | -2.7887 | |
| 430 | N | A | -1.8791 | |
| 431 | V | A | -0.1438 | |
| 432 | K | A | -1.2702 | |
| 433 | L | A | -0.5920 | |
| 434 | P | A | -0.7263 | |
| 435 | D | A | -1.0494 | |
| 436 | A | A | 0.0000 | |
| 437 | Y | A | 0.0000 | |
| 438 | E | A | -0.4075 | |
| 439 | R | A | -0.6178 | |
| 440 | L | A | 0.0000 | |
| 441 | I | A | 0.0000 | |
| 442 | L | A | 0.3927 | |
| 443 | D | A | 0.0049 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | C | A | 0.6042 | |
| 447 | G | A | -0.0781 | |
| 448 | S | A | -0.3906 | |
| 449 | Q | A | 0.0000 | |
| 450 | M | A | -0.5953 | |
| 451 | H | A | -0.2955 | |
| 452 | F | A | 0.0000 | |
| 453 | V | A | 0.0000 | |
| 454 | R | A | -0.9250 | |
| 455 | S | A | -0.6792 | |
| 456 | D | A | -1.0711 | |
| 457 | E | A | 0.0000 | |
| 458 | L | A | 0.0000 | |
| 459 | L | A | -0.3379 | |
| 460 | E | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | W | A | 0.0000 | |
| 463 | R | A | -0.8953 | |
| 464 | I | A | 0.0000 | |
| 465 | F | A | 0.0000 | |
| 466 | T | A | 0.0000 | |
| 467 | P | A | -0.9815 | |
| 468 | L | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | H | A | -0.9542 | |
| 471 | Q | A | -1.2647 | |
| 472 | I | A | -1.3269 | |
| 473 | E | A | -1.2546 | |
| 474 | L | A | -0.4206 | |
| 475 | E | A | -2.4531 | |
| 476 | K | A | -2.8938 | |
| 477 | P | A | -2.1340 | |
| 478 | K | A | -2.3410 | |
| 479 | P | A | -0.8717 | |
| 480 | I | A | -0.0870 | |
| 481 | P | A | 0.1000 | |
| 482 | Y | A | 0.0000 | |
| 483 | I | A | 0.3244 | |
| 484 | Y | A | 0.0000 | |
| 485 | G | A | -0.8423 | |
| 486 | S | A | -0.9825 | |
| 487 | R | A | -1.5805 | |
| 488 | G | A | -0.8618 | |
| 489 | P | A | 0.0000 | |
| 490 | T | A | -1.2244 | |
| 491 | E | A | -1.8190 | |
| 492 | A | A | 0.0000 | |
| 493 | D | A | -2.1810 | |
| 494 | E | A | -3.2452 | |
| 495 | L | A | 0.0000 | |
| 496 | M | A | 0.0000 | |
| 497 | K | A | -3.1270 | |
| 498 | R | A | -3.1130 | |
| 499 | V | A | -1.6036 | |
| 500 | G | A | -1.2358 | |
| 501 | F | A | 0.0000 | |
| 502 | Q | A | -1.6010 | |
| 503 | Y | A | -0.5023 | |
| 504 | E | A | -1.6648 | |
| 505 | G | A | -1.2664 | |
| 506 | T | A | -0.9493 | |
| 507 | Y | A | -0.8325 | |
| 508 | K | A | -1.0814 | |
| 509 | W | A | 0.1464 | |
| 510 | V | A | 0.7637 | |
| 511 | N | A | -0.7764 | |
| 512 | P | A | -0.8645 | |
| 513 | H | A | -1.4626 |
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