| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVVDGKVLVPKVSGWQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTEYQHEGEDDRVAFSFDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRCGPDGHPLPDAPPPSPLYKRPPPSSPYWKRPSYDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLCTPEPNVYDPSCFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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] (00:00:00)
[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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[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 | 1.9482 | |
| 2 | L | A | 1.9692 | |
| 3 | P | A | 0.6555 | |
| 4 | P | A | 0.3677 | |
| 5 | T | A | 0.1247 | |
| 6 | T | A | 0.1356 | |
| 7 | P | A | 0.1880 | |
| 8 | V | A | 1.2224 | |
| 9 | A | A | 0.0424 | |
| 10 | K | A | -1.1415 | |
| 11 | V | A | -0.3767 | |
| 12 | Q | A | -1.5086 | |
| 13 | S | A | -1.5875 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4015 | |
| 16 | E | A | -2.4287 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4647 | |
| 20 | P | A | 0.1111 | |
| 21 | T | A | 0.1172 | |
| 22 | S | A | -0.1705 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1042 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.1600 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.7597 | |
| 31 | R | A | -2.6578 | |
| 32 | L | A | -0.8001 | |
| 33 | L | A | 1.0868 | |
| 34 | T | A | 1.4595 | |
| 35 | V | A | 1.7119 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.2894 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6328 | |
| 40 | K | A | -1.8613 | |
| 41 | D | A | -0.7222 | |
| 42 | I | A | 1.2693 | |
| 43 | V | A | 2.1511 | |
| 44 | V | A | 1.5237 | |
| 45 | D | A | -0.9773 | |
| 46 | G | A | -0.5754 | |
| 47 | K | A | -0.2441 | |
| 48 | V | A | 2.1539 | |
| 49 | L | A | 2.4945 | |
| 50 | V | A | 1.4691 | |
| 51 | P | A | 0.3413 | |
| 52 | K | A | -0.6993 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | W | 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 | -2.1332 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4757 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2992 | |
| 70 | K | A | -1.8137 | |
| 71 | F | A | -0.6664 | |
| 72 | A | A | -0.5727 | |
| 73 | L | A | -0.8635 | |
| 74 | P | A | -1.2566 | |
| 75 | Q | A | -2.4767 | |
| 76 | K | A | -3.0981 | |
| 77 | D | A | -2.9972 | |
| 78 | F | A | -1.6463 | |
| 79 | Y | A | -1.9441 | |
| 80 | D | A | -2.8021 | |
| 81 | P | A | -2.3666 | |
| 82 | E | A | -3.0867 | |
| 83 | K | A | -3.4620 | |
| 84 | E | A | -2.5259 | |
| 85 | R | A | -1.3244 | |
| 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 | -0.6569 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9582 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3459 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.7960 | |
| 99 | G | A | -0.6078 | |
| 100 | P | A | -0.4269 | |
| 101 | L | A | 0.0055 | |
| 102 | G | A | -0.2254 | |
| 103 | K | A | -0.6382 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.4420 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1530 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4374 | |
| 110 | L | A | 0.3381 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.0813 | |
| 113 | K | A | -0.4618 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.4588 | |
| 117 | T | A | -1.0347 | |
| 118 | E | A | -1.8409 | |
| 119 | N | A | -2.2272 | |
| 120 | P | A | -1.9406 | |
| 121 | T | A | -1.6138 | |
| 122 | E | A | -2.2746 | |
| 123 | Y | A | -0.9927 | |
| 124 | Q | A | -1.8549 | |
| 125 | H | A | -2.3796 | |
| 126 | E | A | -3.0995 | |
| 127 | G | A | -3.0067 | |
| 128 | E | A | -3.3586 | |
| 129 | D | A | -3.2963 | |
| 130 | D | A | -2.4514 | |
| 131 | R | A | -1.3383 | |
| 132 | V | A | 0.2164 | |
| 133 | A | A | 0.4461 | |
| 134 | F | A | 0.2734 | |
| 135 | S | A | -0.0747 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.6835 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 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 | -0.5583 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2214 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1530 | |
| 157 | D | A | 0.3443 | |
| 158 | L | A | 0.6813 | |
| 159 | A | A | 0.1869 | |
| 160 | E | A | -1.4480 | |
| 161 | P | A | -0.2340 | |
| 162 | C | A | 0.1698 | |
| 163 | P | A | -0.1794 | |
| 164 | G | A | -0.0884 | |
| 165 | L | A | 0.5705 | |
| 166 | P | A | -0.1249 | |
| 167 | P | A | -0.3469 | |
| 168 | G | A | -0.4232 | |
| 169 | A | A | -0.0289 | |
| 170 | C | A | 0.6604 | |
| 171 | P | A | 0.5334 | |
| 172 | P | A | 0.6905 | |
| 173 | I | A | 1.9964 | |
| 174 | Q | A | 0.8612 | |
| 175 | L | A | 1.5129 | |
| 176 | V | A | 0.8687 | |
| 177 | N | A | -0.2936 | |
| 178 | S | A | 0.0435 | |
| 179 | V | A | 0.4378 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3759 | |
| 182 | D | A | 0.0765 | |
| 183 | G | A | -0.1625 | |
| 184 | D | A | -0.5695 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1454 | |
| 190 | F | A | 0.0607 | |
| 191 | G | A | -0.1001 | |
| 192 | N | A | -0.2806 | |
| 193 | M | A | -0.1377 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3432 | |
| 197 | E | A | -2.5798 | |
| 198 | L | A | -1.2079 | |
| 199 | Q | A | -2.5493 | |
| 200 | Q | A | -3.3484 | |
| 201 | D | A | -3.6081 | |
| 202 | R | A | -3.3376 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.2052 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3781 | |
| 211 | S | A | -1.8998 | |
| 212 | T | A | -1.4667 | |
| 213 | R | A | -2.1753 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1749 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3182 | |
| 220 | L | A | 0.5346 | |
| 221 | K | A | -1.2472 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9463 | |
| 224 | N | A | -1.5600 | |
| 225 | E | A | -1.3149 | |
| 226 | A | A | -0.6688 | |
| 227 | Y | A | -0.4523 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7008 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1366 | |
| 234 | F | A | 0.0352 | |
| 235 | G | A | -0.8742 | |
| 236 | R | A | -2.5699 | |
| 237 | R | A | -2.7099 | |
| 238 | E | A | -1.9969 | |
| 239 | Q | A | -0.0668 | |
| 240 | V | A | 1.5531 | |
| 241 | Y | A | 1.2400 | |
| 242 | A | A | 0.1356 | |
| 243 | R | A | -1.3012 | |
| 244 | H | A | -1.0564 | |
| 245 | F | A | 0.0096 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.4088 | |
| 249 | C | A | -1.3044 | |
| 250 | G | A | -1.1651 | |
| 251 | P | A | -0.9829 | |
| 252 | D | A | -1.2146 | |
| 253 | G | A | -1.2435 | |
| 254 | H | A | -1.3931 | |
| 255 | P | A | -1.1905 | |
| 256 | L | A | -0.4002 | |
| 257 | P | A | -0.8839 | |
| 258 | D | A | -2.1082 | |
| 259 | A | A | -1.3492 | |
| 260 | P | A | -1.4101 | |
| 261 | P | A | -1.2883 | |
| 262 | P | A | -0.8395 | |
| 263 | S | A | -0.7851 | |
| 264 | P | A | 0.1753 | |
| 265 | L | A | 1.0198 | |
| 266 | Y | A | -0.4742 | |
| 267 | K | A | -2.2037 | |
| 268 | R | A | -2.3456 | |
| 269 | P | A | -1.2340 | |
| 270 | P | A | -0.7531 | |
| 271 | P | A | -0.6655 | |
| 272 | S | A | -0.4070 | |
| 273 | S | A | -0.2756 | |
| 274 | P | A | -0.2990 | |
| 275 | Y | A | 0.1172 | |
| 276 | W | A | -0.5772 | |
| 277 | K | A | -1.8343 | |
| 278 | R | A | -1.2919 | |
| 279 | P | A | -1.1750 | |
| 280 | S | A | 0.0000 | |
| 281 | Y | A | 0.0141 | |
| 282 | D | A | -0.3490 | |
| 283 | Y | A | 1.1219 | |
| 284 | F | A | 0.8136 | |
| 285 | G | A | 0.1910 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9519 | |
| 291 | L | A | 1.6541 | |
| 292 | V | A | 0.6714 | |
| 293 | S | A | -0.1464 | |
| 294 | S | A | -0.9674 | |
| 295 | D | A | -1.8370 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.0937 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6339 | |
| 301 | R | A | -1.8571 | |
| 302 | P | A | -0.9635 | |
| 303 | F | A | -0.1804 | |
| 304 | W | A | -0.5182 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0846 | |
| 307 | R | A | -2.9236 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.6553 | |
| 310 | G | A | -1.4221 | |
| 311 | N | A | -1.3829 | |
| 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 | -0.9198 | |
| 319 | N | A | -0.8982 | |
| 320 | E | A | -1.0606 | |
| 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 | -0.3923 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.1093 | |
| 333 | N | A | 0.5229 | |
| 334 | F | A | 1.7295 | |
| 335 | T | A | 0.7709 | |
| 336 | I | A | 0.4786 | |
| 337 | S | A | -0.7938 | |
| 338 | Q | A | -1.4130 | |
| 339 | Q | A | -1.1002 | |
| 340 | L | A | 0.5807 | |
| 341 | C | A | -0.0437 | |
| 342 | T | A | -0.4626 | |
| 343 | P | A | -1.1865 | |
| 344 | E | A | -1.7285 | |
| 345 | P | A | -0.7613 | |
| 346 | N | A | -0.7389 | |
| 347 | V | A | 1.2871 | |
| 348 | Y | A | 1.2337 | |
| 349 | D | A | 0.0704 | |
| 350 | P | A | -0.3212 | |
| 351 | S | A | -0.2547 | |
| 352 | C | A | 0.0000 | |
| 353 | F | A | -0.5114 | |
| 354 | K | A | -1.6258 | |
| 355 | N | A | -1.6831 | |
| 356 | Y | A | -0.0521 | |
| 357 | L | A | 0.6571 | |
| 358 | R | A | 0.9250 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.1481 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.2221 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9581 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6758 | |
| 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 | -0.3070 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3357 | |
| 376 | L | A | -1.7754 | |
| 377 | D | A | -2.0575 | |
| 378 | P | A | -1.0739 | |
| 379 | G | A | -1.0281 | |
| 380 | V | A | -0.9386 | |
| 381 | L | A | -0.5494 | |
| 382 | A | A | -0.6663 | |
| 383 | H | A | -0.8480 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4084 | |
| 386 | T | A | -0.5783 | |
| 387 | M | A | -0.3332 | |
| 388 | N | A | -0.8770 | |
| 389 | P | A | -1.2685 | |
| 390 | T | A | -1.5349 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5235 | |
| 393 | E | A | -2.9238 | |
| 394 | N | A | -2.6385 | |
| 395 | W | A | -1.5191 | |
| 396 | N | A | -1.3920 | |
| 397 | L | A | -0.2673 | |
| 398 | G | A | 0.5167 | |
| 399 | F | A | 2.4125 | |
| 400 | V | A | 1.8412 | |
| 401 | P | A | 0.0421 | |
| 402 | P | A | -1.8797 | |
| 403 | K | A | -3.5420 | |
| 404 | E | A | -3.9116 | |
| 405 | R | A | -4.2335 | |
| 406 | E | A | -3.9041 | |
| 407 | D | A | -2.8973 | |
| 408 | P | A | -1.7810 | |
| 409 | Y | A | -0.9722 | |
| 410 | K | A | -2.0966 | |
| 411 | G | A | -0.6264 | |
| 412 | L | A | 0.6781 | |
| 413 | I | A | 1.5874 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3906 | |
| 416 | E | A | -1.6571 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.8384 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.8787 | |
| 421 | E | A | -2.4763 | |
| 422 | R | A | -2.0258 | |
| 423 | F | A | -1.0017 | |
| 424 | S | A | -1.3070 | |
| 425 | Q | A | -1.8337 | |
| 426 | D | A | -2.9578 | |
| 427 | L | A | -2.1747 | |
| 428 | D | A | -3.0337 | |
| 429 | Q | A | -2.7476 | |
| 430 | F | A | -1.6421 | |
| 431 | A | A | -1.1633 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.3566 | |
| 435 | K | A | -1.1503 | |
| 436 | F | A | -0.1253 | |
| 437 | L | A | 0.7609 | |
| 438 | Y | A | 0.6023 | |
| 439 | Q | A | -0.3941 |
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