| Chain sequence(s) |
B: SQPRVQCHASRYPVAVDCSWTPLQTRSTSFIATYRLGVATQQQSQPCLQRSPQASRCTIPDVHLFSTVPYMLNVTAVHPGASSSLLAFVAERIIKPDPPEGVRLRTAGQRLQVLWHPPASWPFPDIFSLKYRLRYRRRGASHFRQVGPIEATTFTLRNSKPHAKYCIQVSAQDLTDYGKPSDWSLPGQVESFPTDPLSLQELRREFTVSLYLARKLLSEVQGYVHSFAESRLGYHLPNVSLTFQAWHHLSDSERLCFLATTLRPFPAMLGGLGTQGTWTSSEREQLWAMRLDLRDLHRHLRFQVLAAGFKCSKEEEDKEEEEEEEEEEKKWPQLLYTYQLLHSLELVLSRAVRDLLLLSLPRRPGSAWDS
input PDB |
| Selected Chain(s) | B |
| 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 B 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 (00:07:41)
[INFO] Main: Simulation completed successfully. (00:07:44)
|
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 | |
| 28 | S | B | -1.1033 | |
| 29 | Q | B | -1.6213 | |
| 30 | P | B | 0.0000 | |
| 31 | R | B | -2.0492 | |
| 32 | V | B | 0.0000 | |
| 33 | Q | B | -1.5821 | |
| 34 | C | B | 0.0000 | |
| 35 | H | B | -1.1148 | |
| 36 | A | B | 0.0000 | |
| 37 | S | B | -1.0544 | |
| 38 | R | B | -1.0354 | |
| 39 | Y | B | 0.0000 | |
| 40 | P | B | -0.0302 | |
| 41 | V | B | 0.6380 | |
| 42 | A | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | D | B | -0.7589 | |
| 45 | C | B | 0.0000 | |
| 46 | S | B | -1.0322 | |
| 47 | W | B | 0.0000 | |
| 48 | T | B | -1.0009 | |
| 49 | P | B | -0.8525 | |
| 50 | L | B | -0.6668 | |
| 51 | Q | B | -1.3989 | |
| 56 | T | B | -1.2391 | |
| 57 | R | B | -2.2296 | |
| 58 | S | B | -1.6059 | |
| 59 | T | B | -1.1021 | |
| 60 | S | B | -0.4196 | |
| 61 | F | B | 0.0000 | |
| 62 | I | B | 1.9277 | |
| 63 | A | B | 0.0000 | |
| 64 | T | B | 0.1609 | |
| 65 | Y | B | 0.0000 | |
| 66 | R | B | -0.7194 | |
| 67 | L | B | 0.2894 | |
| 68 | G | B | 0.8981 | |
| 69 | V | B | 1.6212 | |
| 70 | A | B | 0.1057 | |
| 71 | T | B | -0.6404 | |
| 72 | Q | B | -1.7370 | |
| 73 | Q | B | -1.9709 | |
| 74 | Q | B | -2.3516 | |
| 75 | S | B | -1.8821 | |
| 76 | Q | B | -1.6511 | |
| 77 | P | B | -0.3886 | |
| 78 | C | B | 0.0000 | |
| 79 | L | B | 0.9843 | |
| 80 | Q | B | -0.4351 | |
| 81 | R | B | -1.9148 | |
| 82 | S | B | -1.1499 | |
| 83 | P | B | -0.6805 | |
| 84 | Q | B | -1.4670 | |
| 85 | A | B | -1.0248 | |
| 86 | S | B | -0.6991 | |
| 87 | R | B | -0.7784 | |
| 88 | C | B | 0.0000 | |
| 89 | T | B | -0.2435 | |
| 90 | I | B | 0.0000 | |
| 91 | P | B | -0.6026 | |
| 92 | D | B | -1.4753 | |
| 93 | V | B | 0.0000 | |
| 94 | H | B | -0.8363 | |
| 95 | L | B | -0.2898 | |
| 96 | F | B | 0.1830 | |
| 97 | S | B | 0.2830 | |
| 98 | T | B | 0.4271 | |
| 99 | V | B | 1.0678 | |
| 100 | P | B | 0.6529 | |
| 101 | Y | B | 0.0000 | |
| 102 | M | B | 0.9120 | |
| 103 | L | B | 0.0000 | |
| 104 | N | B | 0.4941 | |
| 105 | V | B | 0.0000 | |
| 106 | T | B | 0.7247 | |
| 107 | A | B | 0.0000 | |
| 108 | V | B | 0.3682 | |
| 109 | H | B | -0.8486 | |
| 110 | P | B | -0.8053 | |
| 112 | G | B | -0.4866 | |
| 113 | A | B | -0.1045 | |
| 114 | S | B | -0.4936 | |
| 115 | S | B | -0.0917 | |
| 116 | S | B | 0.0000 | |
| 117 | L | B | 1.1351 | |
| 118 | L | B | 0.4748 | |
| 119 | A | B | 0.8004 | |
| 120 | F | B | 0.0000 | |
| 121 | V | B | 0.1416 | |
| 122 | A | B | 0.0000 | |
| 123 | E | B | 0.0000 | |
| 124 | R | B | -2.1664 | |
| 125 | I | B | -1.4517 | |
| 126 | I | B | 0.0000 | |
| 127 | K | B | -1.9859 | |
| 128 | P | B | 0.0000 | |
| 129 | D | B | -2.0586 | |
| 130 | P | B | -1.5443 | |
| 131 | P | B | 0.0000 | |
| 132 | E | B | -2.0472 | |
| 133 | G | B | -1.8078 | |
| 134 | V | B | 0.0000 | |
| 135 | R | B | -2.4973 | |
| 136 | L | B | 0.0000 | |
| 137 | R | B | -2.3069 | |
| 138 | T | B | -1.6862 | |
| 139 | A | B | -1.5228 | |
| 140 | G | B | -1.8094 | |
| 141 | Q | B | -2.7707 | |
| 142 | R | B | -3.1914 | |
| 143 | L | B | -2.3461 | |
| 144 | Q | B | -1.3409 | |
| 145 | V | B | 0.0000 | |
| 146 | L | B | -0.8884 | |
| 147 | W | B | 0.0000 | |
| 148 | H | B | -1.7428 | |
| 149 | P | B | -1.1750 | |
| 150 | P | B | 0.0000 | |
| 151 | A | B | -0.6410 | |
| 152 | S | B | -0.6406 | |
| 153 | W | B | 0.0000 | |
| 154 | P | B | -0.2037 | |
| 155 | F | B | -0.1831 | |
| 156 | P | B | -0.7692 | |
| 157 | D | B | -1.4404 | |
| 158 | I | B | -0.5031 | |
| 159 | F | B | -0.1540 | |
| 160 | S | B | -0.6539 | |
| 161 | L | B | 0.0000 | |
| 162 | K | B | -1.2153 | |
| 163 | Y | B | 0.0000 | |
| 164 | R | B | -1.1686 | |
| 165 | L | B | 0.0000 | |
| 166 | R | B | -1.7786 | |
| 167 | Y | B | 0.0000 | |
| 168 | R | B | -2.9225 | |
| 169 | R | B | -3.6737 | |
| 170 | R | B | -3.3710 | |
| 171 | G | B | -2.1930 | |
| 172 | A | B | -1.9382 | |
| 173 | S | B | -1.4971 | |
| 174 | H | B | -1.9518 | |
| 175 | F | B | -1.9972 | |
| 176 | R | B | -3.1824 | |
| 177 | Q | B | -2.7808 | |
| 178 | V | B | 0.0000 | |
| 179 | G | B | -1.2344 | |
| 180 | P | B | -1.1849 | |
| 181 | I | B | 0.0000 | |
| 182 | E | B | -1.8822 | |
| 183 | A | B | -0.8296 | |
| 184 | T | B | -0.4702 | |
| 185 | T | B | -0.0812 | |
| 186 | F | B | 0.3823 | |
| 187 | T | B | -0.6570 | |
| 188 | L | B | 0.0000 | |
| 189 | R | B | -3.0736 | |
| 190 | N | B | -2.9852 | |
| 191 | S | B | -3.1509 | |
| 192 | K | B | -3.4363 | |
| 193 | P | B | -2.6682 | |
| 194 | H | B | -2.6563 | |
| 195 | A | B | -2.5863 | |
| 196 | K | B | -2.9938 | |
| 197 | Y | B | -2.3588 | |
| 198 | C | B | -1.3907 | |
| 199 | I | B | 0.0000 | |
| 200 | Q | B | -0.6907 | |
| 201 | V | B | 0.0000 | |
| 202 | S | B | 0.0000 | |
| 203 | A | B | 0.0000 | |
| 204 | Q | B | 0.0000 | |
| 205 | D | B | 0.0000 | |
| 206 | L | B | -0.6181 | |
| 207 | T | B | -0.9498 | |
| 208 | D | B | -2.2185 | |
| 209 | Y | B | -1.7942 | |
| 210 | G | B | -2.0578 | |
| 211 | K | B | -2.3654 | |
| 212 | P | B | -1.7724 | |
| 213 | S | B | 0.0000 | |
| 214 | D | B | -2.0264 | |
| 215 | W | B | -0.7438 | |
| 216 | S | B | 0.0000 | |
| 217 | L | B | 0.8232 | |
| 218 | P | B | 0.2043 | |
| 219 | G | B | -0.7657 | |
| 220 | Q | B | -1.2317 | |
| 221 | V | B | -0.3393 | |
| 222 | E | B | -1.2555 | |
| 223 | S | B | -0.6905 | |
| 251 | F | B | 1.8056 | |
| 252 | P | B | 0.3064 | |
| 253 | T | B | -0.4880 | |
| 254 | D | B | -1.6946 | |
| 255 | P | B | -0.7835 | |
| 256 | L | B | -0.5466 | |
| 257 | S | B | -0.8462 | |
| 258 | L | B | -0.3224 | |
| 259 | Q | B | -2.0696 | |
| 260 | E | B | -2.5808 | |
| 261 | L | B | 0.0000 | |
| 262 | R | B | -1.8555 | |
| 263 | R | B | -2.7579 | |
| 264 | E | B | -1.3225 | |
| 265 | F | B | 0.0000 | |
| 266 | T | B | -0.3351 | |
| 267 | V | B | 0.2386 | |
| 268 | S | B | 0.0000 | |
| 269 | L | B | 0.0000 | |
| 270 | Y | B | 0.7042 | |
| 271 | L | B | -0.2531 | |
| 272 | A | B | 0.0000 | |
| 273 | R | B | -1.6382 | |
| 274 | K | B | -2.3572 | |
| 275 | L | B | 0.0000 | |
| 276 | L | B | -1.3541 | |
| 277 | S | B | -1.9661 | |
| 278 | E | B | -2.4188 | |
| 279 | V | B | 0.0000 | |
| 280 | Q | B | -1.6987 | |
| 281 | G | B | -1.5460 | |
| 282 | Y | B | 0.0000 | |
| 283 | V | B | 0.0000 | |
| 284 | H | B | -2.0676 | |
| 285 | S | B | -1.6339 | |
| 286 | F | B | 0.0000 | |
| 287 | A | B | -1.3437 | |
| 288 | E | B | -2.3650 | |
| 289 | S | B | -1.4982 | |
| 290 | R | B | -0.8700 | |
| 301 | L | B | 1.5983 | |
| 302 | G | B | 1.0233 | |
| 303 | Y | B | 1.0939 | |
| 304 | H | B | -0.2707 | |
| 305 | L | B | 0.0000 | |
| 306 | P | B | -0.4889 | |
| 307 | N | B | -0.8420 | |
| 308 | V | B | -0.0062 | |
| 309 | S | B | 0.0722 | |
| 310 | L | B | 0.2694 | |
| 311 | T | B | -0.1029 | |
| 312 | F | B | 0.0000 | |
| 313 | Q | B | -1.4726 | |
| 314 | A | B | -0.8062 | |
| 315 | W | B | 0.0000 | |
| 316 | H | B | -1.4969 | |
| 317 | H | B | -1.8001 | |
| 318 | L | B | -1.4352 | |
| 319 | S | B | 0.0000 | |
| 320 | D | B | -1.2542 | |
| 321 | S | B | -1.5323 | |
| 322 | E | B | -2.1968 | |
| 323 | R | B | 0.0000 | |
| 324 | L | B | 0.0000 | |
| 325 | C | B | -0.9597 | |
| 326 | F | B | -0.0482 | |
| 327 | L | B | 0.0000 | |
| 328 | A | B | 0.0000 | |
| 329 | T | B | -0.5185 | |
| 330 | T | B | 0.0000 | |
| 331 | L | B | 0.0000 | |
| 332 | R | B | -0.8224 | |
| 333 | P | B | -0.4304 | |
| 334 | F | B | 0.0000 | |
| 335 | P | B | 0.0000 | |
| 336 | A | B | -0.5536 | |
| 337 | M | B | 0.0487 | |
| 338 | L | B | 0.0000 | |
| 339 | G | B | -0.4833 | |
| 340 | G | B | -0.4226 | |
| 341 | L | B | 0.0000 | |
| 342 | G | B | -1.0533 | |
| 343 | T | B | -0.8702 | |
| 344 | Q | B | -1.5121 | |
| 345 | G | B | -1.0603 | |
| 346 | T | B | -0.7449 | |
| 347 | W | B | 0.0000 | |
| 348 | T | B | -0.9336 | |
| 349 | S | B | -1.2678 | |
| 350 | S | B | -1.3928 | |
| 351 | E | B | -1.5038 | |
| 352 | R | B | -2.0664 | |
| 353 | E | B | -2.3823 | |
| 354 | Q | B | -1.6095 | |
| 355 | L | B | 0.0000 | |
| 356 | W | B | -0.5350 | |
| 357 | A | B | -0.5919 | |
| 358 | M | B | 0.0000 | |
| 359 | R | B | 0.0000 | |
| 360 | L | B | -0.3322 | |
| 361 | D | B | -1.0715 | |
| 362 | L | B | 0.0000 | |
| 363 | R | B | -1.2209 | |
| 364 | D | B | -1.1995 | |
| 365 | L | B | 0.0000 | |
| 366 | H | B | 0.0000 | |
| 367 | R | B | -0.9377 | |
| 368 | H | B | -0.4181 | |
| 369 | L | B | 0.0000 | |
| 370 | R | B | -0.2369 | |
| 371 | F | B | 0.7203 | |
| 372 | Q | B | 0.0000 | |
| 373 | V | B | 0.0000 | |
| 374 | L | B | 0.6152 | |
| 375 | A | B | 0.0000 | |
| 376 | A | B | -0.1729 | |
| 377 | G | B | -0.7083 | |
| 378 | F | B | -1.1550 | |
| 379 | K | B | -2.1696 | |
| 380 | C | B | -1.9677 | |
| 381 | S | B | -2.0630 | |
| 382 | K | B | -3.2942 | |
| 383 | E | B | -3.5784 | |
| 384 | E | B | -4.0261 | |
| 385 | E | B | -4.3054 | |
| 386 | D | B | -4.1271 | |
| 387 | K | B | -4.5392 | |
| 388 | E | B | -4.8497 | |
| 389 | E | B | -4.9732 | |
| 390 | E | B | -4.8214 | |
| 391 | E | B | -5.6193 | |
| 392 | E | B | -5.8469 | |
| 393 | E | B | -5.1589 | |
| 394 | E | B | -5.6069 | |
| 395 | E | B | -5.7558 | |
| 396 | E | B | -5.2988 | |
| 397 | E | B | -4.1035 | |
| 398 | K | B | -4.4580 | |
| 399 | K | B | -3.9559 | |
| 417 | W | B | 0.9701 | |
| 418 | P | B | 0.2169 | |
| 419 | Q | B | -0.5056 | |
| 420 | L | B | 0.4924 | |
| 421 | L | B | 1.0309 | |
| 422 | Y | B | 0.7592 | |
| 423 | T | B | 0.0000 | |
| 424 | Y | B | 0.4124 | |
| 425 | Q | B | 0.6741 | |
| 426 | L | B | 0.0000 | |
| 427 | L | B | 0.0000 | |
| 428 | H | B | -0.0611 | |
| 429 | S | B | 0.0000 | |
| 430 | L | B | 0.0000 | |
| 431 | E | B | -0.2773 | |
| 432 | L | B | 0.2447 | |
| 433 | V | B | 0.0000 | |
| 434 | L | B | 0.0000 | |
| 435 | S | B | -0.2202 | |
| 436 | R | B | -0.1091 | |
| 437 | A | B | 0.0000 | |
| 438 | V | B | 0.0000 | |
| 439 | R | B | -0.5578 | |
| 440 | D | B | 0.0000 | |
| 441 | L | B | 0.0000 | |
| 442 | L | B | 0.0733 | |
| 443 | L | B | -0.1260 | |
| 444 | L | B | 0.0000 | |
| 445 | S | B | -0.3393 | |
| 446 | L | B | -0.1147 | |
| 447 | P | B | -0.9795 | |
| 448 | R | B | -2.0504 | |
| 449 | R | B | -2.6297 | |
| 450 | P | B | -1.7135 | |
| 451 | G | B | -1.2637 | |
| 452 | S | B | -1.3438 | |
| 453 | A | B | -0.8621 | |
| 454 | W | B | -0.6781 | |
| 455 | D | B | -2.0107 | |
| 456 | S | B | -1.1806 |
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