| Chain sequence(s) |
F: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNITDAKVKLIKQELDKYKNAVTELQLLMQSTPATFLGFLLGVGSAIASGVAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFI
input PDB |
| Selected Chain(s) | F |
| 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 F 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 (00:03:56)
[INFO] Main: Simulation completed successfully. (00:03:59)
|
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 | |
| 26 | Q | F | -2.1563 | |
| 27 | N | F | -2.6777 | |
| 28 | I | F | 0.0000 | |
| 29 | T | F | -1.7304 | |
| 30 | E | F | 0.0000 | |
| 31 | E | F | -0.1864 | |
| 32 | F | F | 0.0000 | |
| 33 | Y | F | -0.2830 | |
| 34 | Q | F | -1.1680 | |
| 35 | S | F | -1.3240 | |
| 36 | T | F | 0.0000 | |
| 37 | C | F | 0.0000 | |
| 38 | S | F | 0.0000 | |
| 39 | A | F | 0.0000 | |
| 40 | V | F | 0.0000 | |
| 41 | S | F | 0.0000 | |
| 42 | K | F | -1.5227 | |
| 43 | G | F | -1.4793 | |
| 44 | Y | F | 0.0000 | |
| 45 | L | F | -0.8332 | |
| 46 | S | F | 0.0000 | |
| 47 | A | F | 0.0000 | |
| 48 | L | F | 0.0000 | |
| 49 | R | F | 0.0000 | |
| 50 | T | F | -0.0251 | |
| 51 | G | F | 0.0601 | |
| 52 | W | F | 0.3040 | |
| 53 | Y | F | 0.2617 | |
| 54 | T | F | 0.1935 | |
| 55 | S | F | 0.0000 | |
| 56 | V | F | 0.0000 | |
| 57 | I | F | 0.0000 | |
| 58 | T | F | 0.0000 | |
| 59 | I | F | 0.0000 | |
| 60 | E | F | 0.0000 | |
| 61 | L | F | 0.0000 | |
| 62 | S | F | 0.0000 | |
| 63 | N | F | -1.1202 | |
| 64 | I | F | 0.9355 | |
| 72 | T | F | -1.1616 | |
| 73 | D | F | -1.2803 | |
| 74 | A | F | -1.0577 | |
| 75 | K | F | -1.4275 | |
| 76 | V | F | 0.0000 | |
| 77 | K | F | -2.3093 | |
| 78 | L | F | -0.8428 | |
| 79 | I | F | 0.0000 | |
| 80 | K | F | -2.1589 | |
| 81 | Q | F | -2.4438 | |
| 82 | E | F | 0.0000 | |
| 83 | L | F | -1.8630 | |
| 84 | D | F | -3.0624 | |
| 85 | K | F | -2.6320 | |
| 86 | Y | F | 0.0000 | |
| 87 | K | F | -2.2327 | |
| 88 | N | F | -2.6547 | |
| 89 | A | F | 0.0000 | |
| 90 | V | F | -1.1576 | |
| 91 | T | F | -0.9370 | |
| 92 | E | F | -1.1642 | |
| 93 | L | F | 0.0000 | |
| 94 | Q | F | -0.8291 | |
| 95 | L | F | 0.5883 | |
| 96 | L | F | 0.1892 | |
| 97 | M | F | -0.2855 | |
| 98 | Q | F | -0.9274 | |
| 99 | S | F | -0.5078 | |
| 100 | T | F | -0.6165 | |
| 101 | P | F | -0.3347 | |
| 102 | A | F | -0.0232 | |
| 103 | T | F | -0.1597 | |
| 137 | F | F | 1.1293 | |
| 138 | L | F | 0.0000 | |
| 139 | G | F | 1.1825 | |
| 140 | F | F | 2.1581 | |
| 141 | L | F | 1.7180 | |
| 142 | L | F | 1.2903 | |
| 143 | G | F | 0.8917 | |
| 144 | V | F | 1.4257 | |
| 145 | G | F | 0.2854 | |
| 146 | S | F | -0.0009 | |
| 147 | A | F | 0.1208 | |
| 148 | I | F | 0.0000 | |
| 149 | A | F | -0.0563 | |
| 150 | S | F | -0.1964 | |
| 151 | G | F | 0.0000 | |
| 152 | V | F | -0.2931 | |
| 153 | A | F | -0.4731 | |
| 154 | V | F | 0.0000 | |
| 155 | S | F | 0.0000 | |
| 156 | K | F | -1.5459 | |
| 157 | V | F | -0.8801 | |
| 158 | L | F | 0.0000 | |
| 159 | H | F | -1.1085 | |
| 160 | L | F | -0.2015 | |
| 161 | E | F | -1.6545 | |
| 162 | G | F | -1.4914 | |
| 163 | E | F | 0.0000 | |
| 164 | V | F | 0.0000 | |
| 165 | N | F | -2.0948 | |
| 166 | K | F | -1.5917 | |
| 167 | I | F | 0.0000 | |
| 168 | K | F | -0.8275 | |
| 169 | S | F | -0.2802 | |
| 170 | A | F | -0.0782 | |
| 171 | L | F | 0.0000 | |
| 172 | L | F | 0.9766 | |
| 173 | S | F | 0.0868 | |
| 174 | T | F | -0.6374 | |
| 175 | N | F | -1.5107 | |
| 176 | K | F | -1.6518 | |
| 177 | A | F | -0.1206 | |
| 178 | V | F | 1.1926 | |
| 179 | V | F | 0.0000 | |
| 180 | S | F | -0.2386 | |
| 181 | L | F | 0.0000 | |
| 182 | S | F | -0.8383 | |
| 183 | N | F | -1.5035 | |
| 184 | G | F | -1.0542 | |
| 185 | V | F | -0.3554 | |
| 186 | S | F | 0.0251 | |
| 187 | V | F | 0.0000 | |
| 188 | L | F | 0.0000 | |
| 189 | T | F | 0.0000 | |
| 190 | S | F | 0.0000 | |
| 191 | K | F | 0.0000 | |
| 192 | V | F | -0.2538 | |
| 193 | L | F | -0.4002 | |
| 194 | D | F | -1.0985 | |
| 195 | L | F | 0.0000 | |
| 196 | K | F | -2.0384 | |
| 197 | N | F | -2.0364 | |
| 198 | Y | F | -1.7507 | |
| 199 | I | F | 0.0000 | |
| 200 | D | F | -2.0907 | |
| 201 | K | F | -2.5528 | |
| 202 | Q | F | -1.5646 | |
| 203 | L | F | 0.0000 | |
| 204 | L | F | -0.7579 | |
| 205 | P | F | -1.2109 | |
| 206 | I | F | 0.0000 | |
| 207 | V | F | -0.6581 | |
| 208 | N | F | -2.0331 | |
| 209 | K | F | -2.1568 | |
| 210 | Q | F | -1.0491 | |
| 211 | S | F | -0.9671 | |
| 212 | C | F | -0.7754 | |
| 213 | S | F | -0.1144 | |
| 214 | I | F | 1.2096 | |
| 215 | S | F | 0.0437 | |
| 216 | N | F | -0.6239 | |
| 217 | I | F | -0.3041 | |
| 218 | E | F | -1.5554 | |
| 219 | T | F | 0.0000 | |
| 220 | V | F | 0.0000 | |
| 221 | I | F | 0.1402 | |
| 222 | E | F | -2.0187 | |
| 223 | F | F | 0.0000 | |
| 224 | Q | F | -1.4368 | |
| 225 | Q | F | -2.2060 | |
| 226 | K | F | -1.9382 | |
| 227 | N | F | 0.0000 | |
| 228 | N | F | -1.8266 | |
| 229 | R | F | -1.1521 | |
| 230 | L | F | 0.0000 | |
| 231 | L | F | 0.0000 | |
| 232 | E | F | -1.3302 | |
| 233 | I | F | 0.0000 | |
| 234 | T | F | 0.0000 | |
| 235 | R | F | -1.9938 | |
| 236 | E | F | -0.9447 | |
| 237 | F | F | 0.0000 | |
| 238 | S | F | -0.3803 | |
| 239 | V | F | 0.7854 | |
| 240 | N | F | -0.2974 | |
| 241 | A | F | 0.1300 | |
| 242 | G | F | 0.0000 | |
| 243 | V | F | 0.0000 | |
| 244 | T | F | 0.0000 | |
| 245 | T | F | -0.5520 | |
| 246 | P | F | -0.8946 | |
| 247 | V | F | 0.0000 | |
| 248 | S | F | -0.4514 | |
| 249 | T | F | -0.2412 | |
| 250 | Y | F | 0.1405 | |
| 251 | M | F | 0.0000 | |
| 252 | L | F | 0.0000 | |
| 253 | T | F | -0.6150 | |
| 254 | N | F | -1.4673 | |
| 255 | S | F | -0.8977 | |
| 256 | E | F | -0.9799 | |
| 257 | L | F | 0.0000 | |
| 258 | L | F | -1.1093 | |
| 259 | S | F | -1.3181 | |
| 260 | L | F | 0.0000 | |
| 261 | I | F | 0.0000 | |
| 262 | N | F | -2.6107 | |
| 263 | D | F | -2.4199 | |
| 264 | M | F | 0.0000 | |
| 265 | P | F | -0.9353 | |
| 266 | I | F | -0.9629 | |
| 267 | T | F | -1.7145 | |
| 268 | N | F | -2.8935 | |
| 269 | D | F | -3.1936 | |
| 270 | Q | F | 0.0000 | |
| 271 | K | F | -2.9399 | |
| 272 | K | F | -3.3585 | |
| 273 | L | F | 0.0000 | |
| 274 | M | F | 0.0000 | |
| 275 | S | F | -1.9151 | |
| 276 | N | F | -1.9541 | |
| 277 | N | F | -1.4124 | |
| 278 | V | F | -1.1457 | |
| 279 | Q | F | -1.7402 | |
| 280 | I | F | 0.0000 | |
| 281 | V | F | 0.0000 | |
| 282 | R | F | -1.2644 | |
| 283 | Q | F | -1.5826 | |
| 284 | Q | F | 0.0000 | |
| 285 | S | F | 0.0000 | |
| 286 | Y | F | -0.0620 | |
| 287 | S | F | 0.0000 | |
| 288 | I | F | 0.0000 | |
| 289 | M | F | 0.0000 | |
| 290 | S | F | 0.0000 | |
| 291 | I | F | 0.0000 | |
| 292 | I | F | -0.7806 | |
| 293 | K | F | -1.6735 | |
| 294 | E | F | -2.0368 | |
| 295 | E | F | -2.0055 | |
| 296 | V | F | 0.0000 | |
| 297 | L | F | 0.0000 | |
| 298 | A | F | 0.0000 | |
| 299 | Y | F | 0.0000 | |
| 300 | V | F | 0.0000 | |
| 301 | V | F | 0.0000 | |
| 302 | Q | F | 0.0000 | |
| 303 | L | F | 0.0000 | |
| 304 | P | F | 0.0000 | |
| 305 | L | F | 0.2897 | |
| 306 | Y | F | 0.0000 | |
| 307 | G | F | -0.1649 | |
| 308 | V | F | -0.2358 | |
| 309 | I | F | -0.7728 | |
| 310 | D | F | -1.7527 | |
| 311 | T | F | -1.0289 | |
| 312 | P | F | -1.0390 | |
| 313 | C | F | 0.0000 | |
| 314 | W | F | 0.0000 | |
| 315 | K | F | -0.7355 | |
| 316 | L | F | 0.0000 | |
| 317 | H | F | 0.0000 | |
| 318 | T | F | 0.0000 | |
| 319 | S | F | 0.0000 | |
| 320 | P | F | 0.1792 | |
| 321 | L | F | 0.0000 | |
| 322 | C | F | 0.0000 | |
| 323 | T | F | -1.0487 | |
| 324 | T | F | -1.7118 | |
| 325 | N | F | -2.4417 | |
| 326 | T | F | -2.1758 | |
| 327 | K | F | -3.1511 | |
| 328 | E | F | -3.3746 | |
| 329 | G | F | -2.1827 | |
| 330 | S | F | -1.6973 | |
| 331 | N | F | 0.0000 | |
| 332 | I | F | 0.0000 | |
| 333 | C | F | 0.0000 | |
| 334 | L | F | 0.0000 | |
| 335 | T | F | 0.0000 | |
| 336 | R | F | 0.0000 | |
| 337 | T | F | 0.0000 | |
| 338 | D | F | 0.0000 | |
| 339 | R | F | -0.5289 | |
| 340 | G | F | 0.0000 | |
| 341 | W | F | 0.0000 | |
| 342 | Y | F | 0.0000 | |
| 343 | C | F | 0.0000 | |
| 344 | D | F | -1.2183 | |
| 345 | N | F | -0.8692 | |
| 346 | A | F | -0.4333 | |
| 347 | G | F | -0.7221 | |
| 348 | S | F | -0.6523 | |
| 349 | V | F | 0.0000 | |
| 350 | S | F | 0.0000 | |
| 351 | F | F | 0.0000 | |
| 352 | F | F | 0.0000 | |
| 353 | P | F | 0.0000 | |
| 354 | Q | F | -1.0075 | |
| 355 | A | F | -1.3393 | |
| 356 | E | F | -2.0162 | |
| 357 | T | F | -1.1485 | |
| 358 | C | F | 0.0000 | |
| 359 | K | F | -0.6899 | |
| 360 | V | F | 0.2033 | |
| 361 | Q | F | -0.3271 | |
| 362 | S | F | -0.6022 | |
| 363 | N | F | -0.9154 | |
| 364 | R | F | -0.6967 | |
| 365 | V | F | 0.0000 | |
| 366 | F | F | 0.0000 | |
| 367 | C | F | 0.0000 | |
| 368 | D | F | -0.1938 | |
| 369 | T | F | 0.0360 | |
| 370 | M | F | 0.3849 | |
| 371 | N | F | -0.0086 | |
| 372 | S | F | 0.0217 | |
| 373 | L | F | 0.3595 | |
| 374 | T | F | -0.0442 | |
| 375 | L | F | -0.2068 | |
| 376 | P | F | -0.7707 | |
| 377 | S | F | -0.8891 | |
| 378 | E | F | -1.4833 | |
| 379 | V | F | 0.0000 | |
| 380 | N | F | -0.6286 | |
| 381 | L | F | -0.3961 | |
| 382 | C | F | 0.0000 | |
| 383 | N | F | 0.0000 | |
| 384 | V | F | 1.1276 | |
| 385 | D | F | -0.4080 | |
| 386 | I | F | 0.0000 | |
| 387 | F | F | 0.7612 | |
| 388 | N | F | -0.4774 | |
| 389 | P | F | -1.1975 | |
| 390 | K | F | -1.9495 | |
| 391 | Y | F | -1.5438 | |
| 392 | D | F | -1.4056 | |
| 393 | C | F | 0.0000 | |
| 394 | K | F | -0.7986 | |
| 395 | I | F | 0.0000 | |
| 396 | M | F | -0.2800 | |
| 397 | T | F | 0.0000 | |
| 398 | S | F | -1.3761 | |
| 399 | K | F | -1.8382 | |
| 400 | T | F | -0.5999 | |
| 401 | D | F | -0.1835 | |
| 402 | V | F | 1.1687 | |
| 403 | S | F | 0.0267 | |
| 404 | S | F | 0.2783 | |
| 405 | S | F | 0.3210 | |
| 406 | V | F | 0.5661 | |
| 407 | I | F | 0.7268 | |
| 408 | T | F | 0.0000 | |
| 409 | S | F | 0.0000 | |
| 410 | L | F | 0.0000 | |
| 411 | G | F | 0.0000 | |
| 412 | A | F | 0.0000 | |
| 413 | I | F | 0.0000 | |
| 414 | V | F | 0.0000 | |
| 415 | S | F | 0.0000 | |
| 416 | C | F | 0.0000 | |
| 417 | Y | F | 0.0000 | |
| 418 | G | F | -2.1703 | |
| 419 | K | F | -2.3136 | |
| 420 | T | F | -2.0073 | |
| 421 | K | F | -2.5966 | |
| 422 | C | F | 0.0000 | |
| 423 | T | F | 0.0000 | |
| 424 | A | F | 0.0000 | |
| 425 | S | F | 0.0317 | |
| 426 | N | F | -1.7201 | |
| 427 | K | F | -2.8485 | |
| 428 | N | F | -2.9392 | |
| 429 | R | F | -2.3745 | |
| 430 | G | F | -0.7917 | |
| 431 | I | F | 1.3942 | |
| 432 | I | F | 1.6221 | |
| 433 | K | F | 0.3826 | |
| 434 | T | F | -0.2283 | |
| 435 | F | F | 0.0000 | |
| 436 | S | F | -1.1703 | |
| 437 | N | F | -1.8666 | |
| 438 | G | F | -0.8491 | |
| 439 | C | F | 0.0000 | |
| 440 | D | F | -0.6384 | |
| 441 | Y | F | 0.0000 | |
| 442 | V | F | -0.1191 | |
| 443 | S | F | -0.8659 | |
| 444 | N | F | 0.0000 | |
| 445 | K | F | -2.7653 | |
| 446 | G | F | -1.2912 | |
| 447 | V | F | 0.0000 | |
| 448 | D | F | 0.0000 | |
| 449 | T | F | 0.6223 | |
| 450 | V | F | 0.0000 | |
| 451 | S | F | 0.3187 | |
| 452 | V | F | 0.0000 | |
| 453 | G | F | -1.4570 | |
| 454 | N | F | -1.2888 | |
| 455 | T | F | 0.0365 | |
| 456 | L | F | 1.5506 | |
| 457 | Y | F | 1.4438 | |
| 458 | Y | F | 1.3974 | |
| 459 | V | F | 0.0000 | |
| 460 | N | F | -1.5927 | |
| 461 | K | F | -2.4252 | |
| 462 | Q | F | -2.7161 | |
| 463 | E | F | -3.5141 | |
| 464 | G | F | -3.0575 | |
| 465 | K | F | -2.5656 | |
| 466 | S | F | -0.8423 | |
| 467 | L | F | 0.6490 | |
| 468 | Y | F | 0.5271 | |
| 469 | V | F | 0.2915 | |
| 470 | K | F | -1.6658 | |
| 471 | G | F | -1.7668 | |
| 472 | E | F | -2.3231 | |
| 473 | P | F | -1.3040 | |
| 474 | I | F | 0.0000 | |
| 475 | I | F | 0.0000 | |
| 476 | N | F | -0.9769 | |
| 477 | F | F | 0.7016 | |
| 478 | Y | F | 0.0000 | |
| 479 | D | F | -0.7988 | |
| 480 | P | F | -0.2421 | |
| 481 | L | F | 1.1244 | |
| 482 | V | F | 0.0000 | |
| 483 | F | F | 0.0000 | |
| 484 | P | F | -0.8992 | |
| 485 | S | F | -1.3540 | |
| 486 | D | F | -2.2182 | |
| 487 | E | F | -1.3034 | |
| 488 | F | F | -0.2623 | |
| 489 | D | F | -1.1255 | |
| 490 | A | F | 0.0000 | |
| 491 | S | F | 0.0000 | |
| 492 | I | F | 0.0000 | |
| 493 | S | F | -1.3389 | |
| 494 | Q | F | -2.1350 | |
| 495 | V | F | 0.0000 | |
| 496 | N | F | -2.4542 | |
| 497 | E | F | -3.2720 | |
| 498 | K | F | -2.3121 | |
| 499 | I | F | -1.6559 | |
| 500 | N | F | -1.7922 | |
| 501 | Q | F | -1.2245 | |
| 502 | S | F | 0.5153 | |
| 503 | L | F | 1.7020 | |
| 504 | A | F | 1.4085 | |
| 505 | F | F | 2.8278 | |
| 506 | I | F | 3.0540 |
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