| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFADIVKNGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGSVGHPLFNKLGDTENPTAYQHEGPDDRVSFSFDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRCGPDGHPLPSAPPPSPLYVPPPASSPYAVLPSRNYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLCTPAPNVYDPSCFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:07)
|
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 | 1.9467 | |
| 2 | L | A | 1.9716 | |
| 3 | P | A | 0.6500 | |
| 4 | P | A | 0.3494 | |
| 5 | T | A | 0.1100 | |
| 6 | T | A | 0.1306 | |
| 7 | P | A | 0.1622 | |
| 8 | V | A | 1.2118 | |
| 9 | A | A | 0.0173 | |
| 10 | K | A | -1.1677 | |
| 11 | V | A | -0.4309 | |
| 12 | Q | A | -1.5465 | |
| 13 | S | A | -1.6136 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4163 | |
| 16 | E | A | -2.4381 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4578 | |
| 20 | P | A | 0.1087 | |
| 21 | T | A | 0.1162 | |
| 22 | S | A | -0.1700 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1018 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.1551 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.7070 | |
| 31 | R | A | -2.5917 | |
| 32 | L | A | -0.7394 | |
| 33 | L | A | 1.2322 | |
| 34 | T | A | 1.4666 | |
| 35 | V | A | 2.0053 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.2829 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.2351 | |
| 40 | A | A | 0.1016 | |
| 41 | D | A | -0.0703 | |
| 42 | I | A | 1.5074 | |
| 43 | V | A | 1.3533 | |
| 44 | K | A | -1.1200 | |
| 45 | N | A | -1.9206 | |
| 46 | G | A | -1.1914 | |
| 47 | K | A | -0.9043 | |
| 48 | V | A | 1.7223 | |
| 49 | V | A | 2.1190 | |
| 50 | V | A | 1.5998 | |
| 51 | P | A | 0.8604 | |
| 52 | K | A | 0.0219 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | Y | 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 | -2.0988 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4667 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2897 | |
| 70 | K | A | -1.8055 | |
| 71 | F | A | -0.6619 | |
| 72 | A | A | -0.5863 | |
| 73 | L | A | -0.8830 | |
| 74 | P | A | -1.2756 | |
| 75 | Q | A | -2.4814 | |
| 76 | K | A | -3.0953 | |
| 77 | D | A | -2.9889 | |
| 78 | F | A | -1.6454 | |
| 79 | Y | A | -1.9081 | |
| 80 | D | A | -2.7462 | |
| 81 | P | A | -2.3472 | |
| 82 | E | A | -3.0674 | |
| 83 | K | A | -3.4405 | |
| 84 | E | A | -2.4995 | |
| 85 | R | A | -1.3083 | |
| 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 | -0.6503 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -1.0115 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3441 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6818 | |
| 99 | G | A | -0.5402 | |
| 100 | P | A | -0.4323 | |
| 101 | L | A | -0.0090 | |
| 102 | G | A | -0.2860 | |
| 103 | K | A | -0.8057 | |
| 104 | G | A | -0.6372 | |
| 105 | S | A | -0.6402 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.0466 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.2882 | |
| 110 | L | A | 0.1982 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1130 | |
| 113 | K | A | -0.4966 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.6194 | |
| 117 | T | A | -1.3856 | |
| 118 | E | A | -2.5585 | |
| 119 | N | A | -2.4286 | |
| 120 | P | A | -1.6400 | |
| 121 | T | A | -0.8287 | |
| 122 | A | A | -0.4371 | |
| 123 | Y | A | 0.0738 | |
| 124 | Q | A | -1.2196 | |
| 125 | H | A | -1.2990 | |
| 126 | E | A | -2.0920 | |
| 127 | G | A | -1.9345 | |
| 128 | P | A | -1.6409 | |
| 129 | D | A | -2.4722 | |
| 130 | D | A | -1.9972 | |
| 131 | R | A | -1.2093 | |
| 132 | V | A | 0.0578 | |
| 133 | S | A | 0.1668 | |
| 134 | F | A | 0.1367 | |
| 135 | S | A | -0.1828 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.8343 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | -0.2091 | |
| 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 | -0.5698 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2581 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1243 | |
| 157 | D | A | 0.3040 | |
| 158 | L | A | 0.8015 | |
| 159 | A | A | 0.1684 | |
| 160 | E | A | -1.4425 | |
| 161 | P | A | -0.1951 | |
| 162 | C | A | 0.1933 | |
| 163 | P | A | -0.1589 | |
| 164 | G | A | -0.0582 | |
| 165 | L | A | 0.6174 | |
| 166 | P | A | -0.0983 | |
| 167 | P | A | -0.3338 | |
| 168 | G | A | -0.4124 | |
| 169 | A | A | -0.0171 | |
| 170 | C | A | 0.6714 | |
| 171 | P | A | 0.5328 | |
| 172 | P | A | 0.7818 | |
| 173 | I | A | 1.9662 | |
| 174 | Q | A | 0.8203 | |
| 175 | L | A | 1.4589 | |
| 176 | V | A | 0.8280 | |
| 177 | N | A | -0.3619 | |
| 178 | S | A | -0.0055 | |
| 179 | V | A | 0.3679 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3648 | |
| 182 | D | A | 0.0839 | |
| 183 | G | A | -0.1554 | |
| 184 | D | A | -0.5655 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1407 | |
| 190 | F | A | 0.0614 | |
| 191 | G | A | -0.1080 | |
| 192 | N | A | -0.2848 | |
| 193 | M | A | -0.1518 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.4353 | |
| 197 | E | A | -2.6216 | |
| 198 | L | A | -1.2289 | |
| 199 | Q | A | -2.5589 | |
| 200 | Q | A | -3.3618 | |
| 201 | D | A | -3.6129 | |
| 202 | R | A | -3.3583 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.4594 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.4009 | |
| 211 | S | A | -1.7289 | |
| 212 | T | A | -1.4802 | |
| 213 | R | A | -2.1620 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1762 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.2701 | |
| 220 | L | A | 0.4624 | |
| 221 | K | A | -1.3892 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9867 | |
| 224 | N | A | -1.5978 | |
| 225 | E | A | -1.3333 | |
| 226 | A | A | -0.6757 | |
| 227 | Y | A | -0.4488 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7164 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1371 | |
| 234 | F | A | 0.0348 | |
| 235 | G | A | -0.9252 | |
| 236 | R | A | -2.6781 | |
| 237 | R | A | -2.9531 | |
| 238 | E | A | -2.1374 | |
| 239 | Q | A | -0.1424 | |
| 240 | V | A | 1.5524 | |
| 241 | Y | A | 1.2480 | |
| 242 | A | A | 0.1431 | |
| 243 | R | A | -1.2200 | |
| 244 | H | A | -1.2344 | |
| 245 | F | A | -0.2488 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.6666 | |
| 249 | C | A | -1.1960 | |
| 250 | G | A | -1.0550 | |
| 251 | P | A | -1.1180 | |
| 252 | D | A | -1.4119 | |
| 253 | G | A | -1.3579 | |
| 254 | H | A | -1.4514 | |
| 255 | P | A | -0.9500 | |
| 256 | L | A | 0.0087 | |
| 257 | P | A | -0.2304 | |
| 258 | S | A | -0.2305 | |
| 259 | A | A | -0.0179 | |
| 260 | P | A | -0.3997 | |
| 261 | P | A | -0.0774 | |
| 262 | P | A | 0.0549 | |
| 263 | S | A | 0.5606 | |
| 264 | P | A | 0.6849 | |
| 265 | L | A | 1.8897 | |
| 266 | Y | A | 1.8627 | |
| 267 | V | A | 1.9918 | |
| 268 | P | A | 1.0616 | |
| 269 | P | A | 0.7986 | |
| 270 | P | A | -0.0001 | |
| 271 | A | A | 0.1787 | |
| 272 | S | A | 0.0219 | |
| 273 | S | A | 0.3303 | |
| 274 | P | A | 0.6115 | |
| 275 | Y | A | 1.6583 | |
| 276 | A | A | 1.4720 | |
| 277 | V | A | 2.2469 | |
| 278 | L | A | 1.6964 | |
| 279 | P | A | 0.1750 | |
| 280 | S | A | 0.0000 | |
| 281 | R | A | -0.6337 | |
| 282 | N | A | -0.6533 | |
| 283 | Y | A | 0.8805 | |
| 284 | F | A | 0.7358 | |
| 285 | G | A | 0.1234 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9026 | |
| 291 | L | A | 1.6174 | |
| 292 | V | A | 0.6251 | |
| 293 | S | A | -0.1497 | |
| 294 | S | A | -0.9696 | |
| 295 | D | A | -1.8386 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1738 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.7153 | |
| 301 | R | A | -2.0308 | |
| 302 | P | A | -1.0428 | |
| 303 | F | A | -0.2243 | |
| 304 | W | A | -0.5375 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0824 | |
| 307 | R | A | -2.9251 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.6550 | |
| 310 | G | A | -1.4156 | |
| 311 | N | A | -1.3959 | |
| 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 | -0.9483 | |
| 319 | N | A | -0.8821 | |
| 320 | E | A | -1.0445 | |
| 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 | -0.3753 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.2204 | |
| 333 | N | A | 0.3587 | |
| 334 | F | A | 1.4520 | |
| 335 | T | A | 0.7403 | |
| 336 | I | A | 0.4125 | |
| 337 | S | A | -0.8514 | |
| 338 | Q | A | -1.4835 | |
| 339 | Q | A | -0.8487 | |
| 340 | L | A | 0.8114 | |
| 341 | C | A | 0.4478 | |
| 342 | T | A | 0.1575 | |
| 343 | P | A | -0.2756 | |
| 344 | A | A | 0.1813 | |
| 345 | P | A | 0.1584 | |
| 346 | N | A | -0.2809 | |
| 347 | V | A | 1.5540 | |
| 348 | Y | A | 1.4586 | |
| 349 | D | A | 0.0591 | |
| 350 | P | A | -0.3352 | |
| 351 | S | A | -0.2648 | |
| 352 | C | A | 0.0000 | |
| 353 | F | A | -0.5389 | |
| 354 | K | A | -1.6580 | |
| 355 | N | A | -1.6900 | |
| 356 | Y | A | -0.0978 | |
| 357 | L | A | 0.5678 | |
| 358 | R | A | 0.9067 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4567 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0049 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9112 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6707 | |
| 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 | -0.3079 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3298 | |
| 376 | L | A | -1.7650 | |
| 377 | D | A | -2.0513 | |
| 378 | P | A | -1.0720 | |
| 379 | G | A | -1.0277 | |
| 380 | V | A | -0.9356 | |
| 381 | L | A | -0.5469 | |
| 382 | A | A | -0.6632 | |
| 383 | H | A | -0.8522 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3955 | |
| 386 | T | A | -0.5773 | |
| 387 | M | A | -0.3349 | |
| 388 | N | A | -0.8709 | |
| 389 | P | A | -1.2899 | |
| 390 | T | A | -1.5799 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5511 | |
| 393 | E | A | -2.9612 | |
| 394 | N | A | -2.7777 | |
| 395 | W | A | -1.5356 | |
| 396 | N | A | -1.2830 | |
| 397 | L | A | -0.1871 | |
| 398 | G | A | 0.5638 | |
| 399 | F | A | 2.4401 | |
| 400 | V | A | 1.8677 | |
| 401 | P | A | 0.0852 | |
| 402 | P | A | -1.9311 | |
| 403 | K | A | -3.5686 | |
| 404 | E | A | -3.9624 | |
| 405 | R | A | -4.3586 | |
| 406 | E | A | -3.9661 | |
| 407 | D | A | -2.9554 | |
| 408 | P | A | -1.8114 | |
| 409 | Y | A | -0.9971 | |
| 410 | K | A | -2.1009 | |
| 411 | G | A | -0.6405 | |
| 412 | L | A | 0.6558 | |
| 413 | I | A | 1.5829 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3743 | |
| 416 | E | A | -1.6207 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.8245 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.8794 | |
| 421 | E | A | -2.4891 | |
| 422 | R | A | -2.0494 | |
| 423 | F | A | -1.0129 | |
| 424 | S | A | -1.3167 | |
| 425 | Q | A | -1.8429 | |
| 426 | D | A | -2.8925 | |
| 427 | L | A | -1.9967 | |
| 428 | D | A | -2.7882 | |
| 429 | Q | A | -2.6174 | |
| 430 | F | A | -1.4534 | |
| 431 | A | A | -0.9088 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5977 | |
| 435 | K | A | -0.7478 | |
| 436 | F | A | 0.1405 | |
| 437 | L | A | 1.0254 | |
| 438 | Y | A | 0.8189 | |
| 439 | Q | A | -0.2713 |
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