| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFFSVIDNDKVTVPKVSGNQYRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGIGTTGHPLFNKLGDTENPNKYQQGSKDNRQNTSMDPKQTQLFIVGCEPPTGEHWDVAKPCGALEKGDCPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFFTRNGSVGEPIPNSVSPSDFYYAPDSTQDQKTLAPSVYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQTNTPNPDTYDSTNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:05)
|
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 | Y | A | 1.9491 | |
| 2 | L | A | 1.9707 | |
| 3 | P | A | 0.6552 | |
| 4 | P | A | 0.3632 | |
| 5 | T | A | 0.1229 | |
| 6 | T | A | 0.1358 | |
| 7 | P | A | 0.1809 | |
| 8 | V | A | 1.2098 | |
| 9 | A | A | 0.0231 | |
| 10 | K | A | -1.1697 | |
| 11 | V | A | -0.4433 | |
| 12 | Q | A | -1.5391 | |
| 13 | S | A | -1.5913 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.3565 | |
| 16 | E | A | -2.4075 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4717 | |
| 20 | P | A | 0.1189 | |
| 21 | T | A | 0.1155 | |
| 22 | S | A | -0.1690 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1037 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.1584 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.6418 | |
| 31 | R | A | -2.5441 | |
| 32 | L | A | -0.7197 | |
| 33 | L | A | 1.2319 | |
| 34 | T | A | 1.4437 | |
| 35 | V | A | 1.9823 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.9599 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 1.0088 | |
| 40 | F | A | 1.8073 | |
| 41 | S | A | 1.4093 | |
| 42 | V | A | 1.4919 | |
| 43 | I | A | 0.9060 | |
| 44 | D | A | -1.9494 | |
| 45 | N | A | -2.7714 | |
| 46 | D | A | -2.7385 | |
| 47 | K | A | -1.9576 | |
| 48 | V | A | 0.7779 | |
| 49 | T | A | 0.2656 | |
| 50 | V | A | 1.1629 | |
| 51 | P | A | 1.2228 | |
| 52 | K | A | 0.7411 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | N | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | R | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.1992 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4019 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.3143 | |
| 70 | K | A | -1.8279 | |
| 71 | F | A | -0.6800 | |
| 72 | A | A | -0.5798 | |
| 73 | L | A | -0.9386 | |
| 74 | P | A | -1.2591 | |
| 75 | Q | A | -2.4679 | |
| 76 | K | A | -3.0916 | |
| 77 | D | A | -2.9886 | |
| 78 | F | A | -1.6453 | |
| 79 | Y | A | -1.9096 | |
| 80 | D | A | -2.7307 | |
| 81 | P | A | -2.3423 | |
| 82 | E | A | -3.0603 | |
| 83 | K | A | -3.4307 | |
| 84 | E | A | -2.4833 | |
| 85 | R | A | -1.2852 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.6367 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9756 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3303 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6686 | |
| 99 | G | A | -0.5343 | |
| 100 | P | A | -0.1207 | |
| 101 | L | A | 0.6082 | |
| 102 | G | A | 1.1824 | |
| 103 | I | A | 2.1490 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.1864 | |
| 106 | T | A | 0.0000 | |
| 107 | G | A | -0.2123 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.7055 | |
| 110 | L | A | -0.7354 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.7807 | |
| 113 | K | A | -1.3123 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | -1.5576 | |
| 116 | D | A | -1.9922 | |
| 117 | T | A | -1.6854 | |
| 118 | E | A | -2.6533 | |
| 119 | N | A | -2.8941 | |
| 120 | P | A | -2.7009 | |
| 121 | N | A | -2.8101 | |
| 122 | K | A | -2.8457 | |
| 123 | Y | A | -1.6648 | |
| 124 | Q | A | -1.7419 | |
| 125 | Q | A | -1.4594 | |
| 126 | G | A | -1.7917 | |
| 127 | S | A | -2.2458 | |
| 128 | K | A | -3.0024 | |
| 129 | D | A | -3.2592 | |
| 130 | N | A | -2.4475 | |
| 131 | R | A | -2.3867 | |
| 132 | Q | A | -2.2456 | |
| 133 | N | A | -1.8615 | |
| 134 | T | A | -1.1017 | |
| 135 | S | A | -0.6855 | |
| 136 | M | A | 0.0000 | |
| 137 | D | A | -0.2185 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | 0.1445 | |
| 141 | T | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | E | A | -0.5502 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2397 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0725 | |
| 157 | D | A | 0.1920 | |
| 158 | V | A | 0.7926 | |
| 159 | A | A | 0.1882 | |
| 160 | K | A | -1.3597 | |
| 161 | P | A | -0.2138 | |
| 162 | C | A | 0.1886 | |
| 163 | G | A | -0.2858 | |
| 164 | A | A | -0.2819 | |
| 165 | L | A | -0.6209 | |
| 166 | E | A | -2.6402 | |
| 167 | K | A | -2.8985 | |
| 168 | G | A | -2.3321 | |
| 169 | D | A | -2.3866 | |
| 170 | C | A | -0.4075 | |
| 171 | P | A | -0.2250 | |
| 172 | P | A | 0.6949 | |
| 173 | I | A | 1.9445 | |
| 174 | Q | A | 0.8031 | |
| 175 | L | A | 1.4318 | |
| 176 | V | A | 0.8089 | |
| 177 | N | A | -0.3322 | |
| 178 | S | A | 0.0230 | |
| 179 | V | A | 0.4368 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3772 | |
| 182 | D | A | 0.0630 | |
| 183 | G | A | -0.1634 | |
| 184 | D | A | -0.5803 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1225 | |
| 190 | F | A | 0.0366 | |
| 191 | G | A | -0.1173 | |
| 192 | N | A | -0.3135 | |
| 193 | M | A | -0.2460 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.6253 | |
| 197 | E | A | -2.9827 | |
| 198 | L | A | -1.4176 | |
| 199 | Q | A | -2.6419 | |
| 200 | Q | A | -3.4963 | |
| 201 | D | A | -3.6456 | |
| 202 | R | A | -3.4190 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.5392 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.4709 | |
| 211 | S | A | -1.6662 | |
| 212 | T | A | -1.5879 | |
| 213 | R | A | -2.3271 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1880 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3323 | |
| 220 | L | A | 0.5375 | |
| 221 | K | A | -1.2334 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8652 | |
| 224 | N | A | -1.6297 | |
| 225 | E | A | -1.2874 | |
| 226 | A | A | -0.8100 | |
| 227 | Y | A | -0.4071 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6994 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0958 | |
| 234 | F | A | 0.2985 | |
| 235 | G | A | -0.7863 | |
| 236 | R | A | -2.5543 | |
| 237 | R | A | -2.8120 | |
| 238 | E | A | -2.0568 | |
| 239 | Q | A | -0.1576 | |
| 240 | V | A | 1.2965 | |
| 241 | Y | A | 1.1061 | |
| 242 | A | A | 0.0179 | |
| 243 | R | A | -1.5741 | |
| 244 | H | A | -1.4077 | |
| 245 | F | A | -0.3233 | |
| 246 | F | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | -0.0860 | |
| 249 | N | A | -1.1998 | |
| 250 | G | A | -1.1806 | |
| 251 | S | A | -0.5794 | |
| 252 | V | A | -0.1932 | |
| 253 | G | A | -1.2784 | |
| 254 | E | A | -1.8302 | |
| 255 | P | A | -0.8778 | |
| 256 | I | A | 0.1780 | |
| 257 | P | A | -0.3568 | |
| 258 | N | A | -0.2794 | |
| 259 | S | A | 0.5558 | |
| 260 | V | A | 1.1746 | |
| 261 | S | A | 0.5447 | |
| 262 | P | A | 0.1361 | |
| 263 | S | A | 0.1475 | |
| 264 | D | A | -0.6019 | |
| 265 | F | A | 1.3416 | |
| 266 | Y | A | 1.4557 | |
| 267 | Y | A | 1.3753 | |
| 268 | A | A | 0.2523 | |
| 269 | P | A | -1.6613 | |
| 270 | D | A | -3.0419 | |
| 271 | S | A | -2.5345 | |
| 272 | T | A | -2.1749 | |
| 273 | Q | A | -3.3651 | |
| 274 | D | A | -3.6676 | |
| 275 | Q | A | -2.8654 | |
| 276 | K | A | -3.2832 | |
| 277 | T | A | -1.5339 | |
| 278 | L | A | 0.0994 | |
| 279 | A | A | -0.1777 | |
| 280 | P | A | 0.4873 | |
| 281 | S | A | 0.9378 | |
| 282 | V | A | 1.4542 | |
| 283 | Y | A | 1.7467 | |
| 284 | F | A | 1.2311 | |
| 285 | G | A | 0.0640 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 1.1586 | |
| 291 | L | A | 1.8656 | |
| 292 | V | A | 1.1258 | |
| 293 | S | A | -0.1965 | |
| 294 | S | A | -1.0066 | |
| 295 | D | A | -1.8806 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | -1.0427 | |
| 298 | L | A | -1.1688 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6861 | |
| 301 | R | A | -1.9400 | |
| 302 | P | A | -0.9695 | |
| 303 | F | A | -0.1369 | |
| 304 | W | A | -0.5111 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0806 | |
| 307 | R | A | -2.8244 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.3725 | |
| 310 | G | A | -1.2201 | |
| 311 | N | A | -1.2962 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.9708 | |
| 319 | N | A | -0.9185 | |
| 320 | E | A | -1.0795 | |
| 321 | L | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | 0.3456 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | 0.8214 | |
| 333 | N | A | 0.8886 | |
| 334 | F | A | 1.5227 | |
| 335 | T | A | 0.8053 | |
| 336 | I | A | 0.3623 | |
| 337 | S | A | -1.2735 | |
| 338 | Q | A | -2.4346 | |
| 339 | Q | A | -2.8113 | |
| 340 | T | A | -1.9589 | |
| 341 | N | A | -2.0221 | |
| 342 | T | A | -1.4061 | |
| 343 | P | A | -1.5996 | |
| 344 | N | A | -2.2408 | |
| 345 | P | A | -1.8156 | |
| 346 | D | A | -2.0667 | |
| 347 | T | A | -0.8041 | |
| 348 | Y | A | 0.1820 | |
| 349 | D | A | -0.6969 | |
| 350 | S | A | -0.8624 | |
| 351 | T | A | -0.8483 | |
| 352 | N | A | -1.5284 | |
| 353 | F | A | -1.8375 | |
| 354 | K | A | -2.6445 | |
| 355 | N | A | -1.9021 | |
| 356 | Y | A | -0.0028 | |
| 357 | L | A | 0.6886 | |
| 358 | R | A | 0.9687 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4730 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0193 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.8807 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6418 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.3096 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3323 | |
| 376 | L | A | -1.7578 | |
| 377 | D | A | -2.0414 | |
| 378 | P | A | -1.0648 | |
| 379 | G | A | -1.0185 | |
| 380 | V | A | -0.9353 | |
| 381 | L | A | -0.5363 | |
| 382 | A | A | -0.6540 | |
| 383 | H | A | -0.8510 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3878 | |
| 386 | T | A | -0.5731 | |
| 387 | M | A | -0.3273 | |
| 388 | N | A | -0.8540 | |
| 389 | P | A | -1.2836 | |
| 390 | T | A | -1.6215 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.6315 | |
| 393 | E | A | -3.0664 | |
| 394 | N | A | -3.0228 | |
| 395 | W | A | -1.6533 | |
| 396 | N | A | -1.5464 | |
| 397 | L | A | -0.3122 | |
| 398 | G | A | 0.4774 | |
| 399 | F | A | 2.3986 | |
| 400 | V | A | 1.8110 | |
| 401 | P | A | 0.0401 | |
| 402 | P | A | -1.9868 | |
| 403 | K | A | -3.6480 | |
| 404 | E | A | -4.1460 | |
| 405 | R | A | -4.5002 | |
| 406 | E | A | -4.0444 | |
| 407 | D | A | -3.0038 | |
| 408 | P | A | -1.8395 | |
| 409 | Y | A | -0.9837 | |
| 410 | K | A | -2.1022 | |
| 411 | G | A | -0.6431 | |
| 412 | L | A | 0.6630 | |
| 413 | I | A | 1.5618 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4539 | |
| 416 | E | A | -1.7819 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9263 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.9896 | |
| 421 | E | A | -2.6326 | |
| 422 | R | A | -2.2372 | |
| 423 | F | A | -1.1445 | |
| 424 | S | A | -1.3939 | |
| 425 | Q | A | -1.7721 | |
| 426 | D | A | -2.8894 | |
| 427 | L | A | -1.9736 | |
| 428 | D | A | -2.7387 | |
| 429 | Q | A | -2.5891 | |
| 430 | F | A | -1.3963 | |
| 431 | A | A | -0.8669 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.4984 | |
| 435 | K | A | -0.6872 | |
| 436 | F | A | 0.1922 | |
| 437 | L | A | 1.0659 | |
| 438 | Y | A | 0.8545 | |
| 439 | Q | A | -0.2499 |
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