| Chain sequence(s) |
A: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQ
B: AIASGVAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCCLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLG input PDB |
| Selected Chain(s) | A,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] (00:00:00)
[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 all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:58)
[INFO] Main: Simulation completed successfully. (00:04:01)
|
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 | A | -1.8194 | |
| 27 | N | A | -2.0031 | |
| 28 | I | A | -1.1911 | |
| 29 | T | A | -0.9158 | |
| 30 | E | A | -0.5902 | |
| 31 | E | A | -0.5072 | |
| 32 | F | A | -0.0586 | |
| 33 | Y | A | -0.1339 | |
| 34 | Q | A | -1.0299 | |
| 35 | S | A | -0.3987 | |
| 36 | T | A | 0.0000 | |
| 37 | C | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | V | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | K | A | -1.1676 | |
| 43 | G | A | -1.0732 | |
| 44 | Y | A | 0.0000 | |
| 45 | L | A | -0.2880 | |
| 46 | S | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | R | A | 0.0000 | |
| 50 | T | A | 0.1404 | |
| 51 | G | A | 0.2954 | |
| 52 | W | A | 0.7098 | |
| 53 | Y | A | 0.2118 | |
| 54 | T | A | 0.6846 | |
| 55 | S | A | 0.9867 | |
| 56 | V | A | 1.9993 | |
| 57 | I | A | 1.1752 | |
| 58 | T | A | 0.5772 | |
| 59 | I | A | -0.7361 | |
| 60 | E | A | -2.5399 | |
| 61 | L | A | -2.2908 | |
| 62 | S | A | -2.4511 | |
| 63 | N | A | -2.6130 | |
| 64 | I | A | -1.8102 | |
| 65 | K | A | -2.6675 | |
| 66 | E | A | -2.4714 | |
| 67 | N | A | -2.3920 | |
| 68 | K | A | -2.4429 | |
| 69 | C | A | -1.1589 | |
| 70 | N | A | -2.3244 | |
| 71 | G | A | -1.5671 | |
| 72 | T | A | -1.0026 | |
| 73 | D | A | -1.6206 | |
| 74 | A | A | -1.4425 | |
| 75 | K | A | -1.8323 | |
| 76 | V | A | -1.0161 | |
| 77 | K | A | -2.4151 | |
| 78 | L | A | -0.5972 | |
| 79 | I | A | 0.0000 | |
| 80 | K | A | -2.8349 | |
| 81 | Q | A | -2.9868 | |
| 82 | E | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | D | A | -3.9212 | |
| 85 | K | A | -3.6281 | |
| 86 | Y | A | 0.0000 | |
| 87 | K | A | -3.7392 | |
| 88 | N | A | -3.2955 | |
| 89 | A | A | -2.6778 | |
| 90 | V | A | 0.0000 | |
| 91 | T | A | -1.8067 | |
| 92 | E | A | -1.8339 | |
| 93 | L | A | 0.0000 | |
| 94 | Q | A | -0.6552 | |
| 95 | L | A | 0.8269 | |
| 96 | L | A | 0.7268 | |
| 97 | M | A | 0.5566 | |
| 98 | Q | A | -0.5666 | |
| 147 | A | B | 1.0261 | |
| 148 | I | B | 2.5240 | |
| 149 | A | B | 1.4863 | |
| 150 | S | B | 0.7752 | |
| 151 | G | B | 0.6333 | |
| 152 | V | B | 1.7715 | |
| 153 | A | B | 0.7650 | |
| 154 | V | B | 1.0908 | |
| 155 | S | B | -0.2110 | |
| 156 | K | B | -0.8640 | |
| 157 | V | B | 0.8429 | |
| 158 | L | B | 0.3698 | |
| 159 | H | B | -1.1556 | |
| 160 | L | B | -0.9424 | |
| 161 | E | B | -2.0102 | |
| 162 | G | B | -2.2207 | |
| 163 | E | B | -2.2612 | |
| 164 | V | B | -1.1639 | |
| 165 | N | B | -2.5572 | |
| 166 | K | B | -2.2319 | |
| 167 | I | B | -0.1017 | |
| 168 | K | B | -1.1216 | |
| 169 | S | B | -0.3868 | |
| 170 | A | B | 0.4049 | |
| 171 | L | B | 1.1705 | |
| 172 | L | B | 0.8799 | |
| 173 | S | B | 0.2847 | |
| 174 | T | B | 0.2278 | |
| 175 | N | B | -0.2552 | |
| 176 | K | B | -0.4711 | |
| 177 | A | B | 0.7303 | |
| 178 | V | B | 1.8580 | |
| 179 | V | B | 1.8528 | |
| 180 | S | B | 1.0788 | |
| 181 | L | B | 2.3331 | |
| 182 | S | B | 1.6944 | |
| 183 | N | B | 0.6200 | |
| 184 | G | B | 1.5972 | |
| 185 | V | B | 2.3352 | |
| 186 | S | B | 0.9246 | |
| 187 | V | B | 1.5596 | |
| 188 | L | B | 2.1076 | |
| 189 | T | B | 1.5076 | |
| 190 | S | B | 0.7960 | |
| 191 | K | B | -0.0521 | |
| 192 | V | B | 1.5848 | |
| 193 | L | B | 1.0493 | |
| 194 | D | B | -0.9815 | |
| 195 | L | B | 0.5315 | |
| 196 | K | B | -1.2324 | |
| 197 | N | B | -1.4339 | |
| 198 | Y | B | -0.0599 | |
| 199 | I | B | 0.1393 | |
| 200 | D | B | -2.1670 | |
| 201 | K | B | -2.4649 | |
| 202 | Q | B | -1.1704 | |
| 203 | L | B | 0.3254 | |
| 204 | L | B | -0.0238 | |
| 205 | P | B | -0.7151 | |
| 206 | I | B | 0.2536 | |
| 207 | V | B | 0.4631 | |
| 208 | N | B | -1.0004 | |
| 209 | K | B | -1.2734 | |
| 210 | Q | B | -1.0402 | |
| 211 | S | B | -0.6534 | |
| 212 | C | B | -0.8253 | |
| 213 | S | B | -0.4116 | |
| 214 | I | B | 0.5846 | |
| 215 | S | B | -0.0825 | |
| 216 | N | B | 0.0000 | |
| 217 | I | B | 0.5657 | |
| 218 | E | B | -0.9068 | |
| 219 | T | B | -1.2303 | |
| 220 | V | B | -0.3016 | |
| 221 | I | B | -0.1040 | |
| 222 | E | B | -2.5507 | |
| 223 | F | B | 0.0000 | |
| 224 | Q | B | -2.1275 | |
| 225 | Q | B | -2.9575 | |
| 226 | K | B | -3.2869 | |
| 227 | N | B | 0.0000 | |
| 228 | N | B | -2.6333 | |
| 229 | R | B | -1.3947 | |
| 230 | L | B | 0.0000 | |
| 231 | L | B | -1.4708 | |
| 232 | E | B | -1.8067 | |
| 233 | I | B | 0.0000 | |
| 234 | T | B | 0.0000 | |
| 235 | R | B | -1.9297 | |
| 236 | E | B | -0.7609 | |
| 237 | F | B | 0.0000 | |
| 238 | S | B | -0.5343 | |
| 239 | V | B | 0.8070 | |
| 240 | N | B | -0.0936 | |
| 241 | A | B | 0.1866 | |
| 242 | G | B | 0.0000 | |
| 243 | V | B | 1.1832 | |
| 244 | T | B | 0.0000 | |
| 245 | T | B | -0.0308 | |
| 246 | P | B | -0.4115 | |
| 247 | V | B | 0.0000 | |
| 248 | S | B | -0.1761 | |
| 249 | T | B | -0.0212 | |
| 250 | Y | B | 0.1135 | |
| 251 | M | B | 0.0000 | |
| 252 | L | B | 0.0000 | |
| 253 | T | B | -0.5413 | |
| 254 | N | B | -1.0638 | |
| 255 | S | B | -0.8293 | |
| 256 | E | B | -0.7838 | |
| 257 | L | B | 0.0000 | |
| 258 | L | B | -1.0110 | |
| 259 | S | B | -1.0787 | |
| 260 | L | B | -1.0651 | |
| 261 | I | B | 0.0000 | |
| 262 | N | B | -2.5220 | |
| 263 | D | B | -2.3618 | |
| 264 | M | B | 0.0000 | |
| 265 | P | B | -0.8650 | |
| 266 | I | B | -1.1541 | |
| 267 | T | B | -1.6668 | |
| 268 | N | B | -2.8650 | |
| 269 | D | B | -3.1609 | |
| 270 | Q | B | 0.0000 | |
| 271 | K | B | -2.7364 | |
| 272 | K | B | -3.2082 | |
| 273 | L | B | -1.9303 | |
| 274 | M | B | 0.0000 | |
| 275 | S | B | -1.7204 | |
| 276 | N | B | -1.7731 | |
| 277 | N | B | 0.0000 | |
| 278 | V | B | -0.9451 | |
| 279 | Q | B | -1.5983 | |
| 280 | I | B | 0.0000 | |
| 281 | V | B | 0.0000 | |
| 282 | R | B | 0.0000 | |
| 283 | Q | B | -1.1976 | |
| 284 | Q | B | -0.7499 | |
| 285 | S | B | 0.0000 | |
| 286 | Y | B | 0.7492 | |
| 287 | S | B | 0.0000 | |
| 288 | I | B | 1.4666 | |
| 289 | M | B | 0.0000 | |
| 290 | S | B | 1.2204 | |
| 291 | I | B | 1.4366 | |
| 292 | I | B | 0.0000 | |
| 293 | K | B | -2.4943 | |
| 294 | E | B | -3.6514 | |
| 295 | E | B | -3.5659 | |
| 296 | V | B | -1.8920 | |
| 297 | L | B | 0.0000 | |
| 298 | A | B | 0.0000 | |
| 299 | Y | B | 0.0000 | |
| 300 | V | B | 1.5743 | |
| 301 | V | B | 0.0000 | |
| 302 | Q | B | 0.5650 | |
| 303 | L | B | 0.0000 | |
| 304 | P | B | 0.0000 | |
| 305 | L | B | 0.3026 | |
| 306 | Y | B | 0.0000 | |
| 307 | G | B | -0.1158 | |
| 308 | V | B | 0.1260 | |
| 309 | I | B | -0.3212 | |
| 310 | D | B | -1.0634 | |
| 311 | T | B | -0.5950 | |
| 312 | P | B | -0.7270 | |
| 313 | C | B | 0.0000 | |
| 314 | W | B | 0.0000 | |
| 315 | K | B | -0.6340 | |
| 316 | L | B | 0.0000 | |
| 317 | H | B | -0.2084 | |
| 318 | T | B | 0.0000 | |
| 319 | S | B | 0.0000 | |
| 320 | P | B | 0.4465 | |
| 321 | L | B | 0.2834 | |
| 322 | C | B | 0.2734 | |
| 333 | C | B | 0.0416 | |
| 334 | L | B | 0.7958 | |
| 335 | T | B | 0.0000 | |
| 336 | R | B | 0.0000 | |
| 337 | T | B | -0.4071 | |
| 338 | D | B | 0.0000 | |
| 339 | R | B | -1.2409 | |
| 340 | G | B | -0.8337 | |
| 341 | W | B | -0.3893 | |
| 342 | Y | B | 0.0000 | |
| 343 | C | B | 0.0000 | |
| 344 | D | B | -1.0313 | |
| 345 | N | B | -0.8660 | |
| 346 | A | B | -0.4996 | |
| 347 | G | B | -0.7555 | |
| 348 | S | B | -0.7322 | |
| 349 | V | B | 0.0000 | |
| 350 | S | B | 0.0000 | |
| 351 | F | B | 0.0000 | |
| 352 | F | B | 0.0000 | |
| 353 | P | B | -1.1178 | |
| 354 | Q | B | -2.0896 | |
| 355 | A | B | -1.6362 | |
| 356 | E | B | -2.3521 | |
| 357 | T | B | -1.4647 | |
| 358 | C | B | -0.8823 | |
| 359 | K | B | -0.9831 | |
| 360 | V | B | 0.0278 | |
| 361 | Q | B | -0.8209 | |
| 362 | S | B | -0.6048 | |
| 363 | N | B | -0.8859 | |
| 364 | R | B | -0.4712 | |
| 365 | V | B | 0.0000 | |
| 366 | F | B | 0.0000 | |
| 367 | C | B | 0.0000 | |
| 368 | D | B | -0.4734 | |
| 369 | T | B | 0.0364 | |
| 370 | M | B | 0.4611 | |
| 371 | N | B | -0.7218 | |
| 372 | S | B | 0.0086 | |
| 373 | L | B | 0.9847 | |
| 374 | T | B | 0.2543 | |
| 375 | L | B | 0.0199 | |
| 376 | P | B | -0.7434 | |
| 377 | S | B | -0.7977 | |
| 378 | E | B | -1.3987 | |
| 379 | V | B | 0.0000 | |
| 380 | N | B | -0.3993 | |
| 381 | L | B | 0.2872 | |
| 382 | C | B | 0.0000 | |
| 383 | N | B | 0.0000 | |
| 384 | V | B | 1.3791 | |
| 385 | D | B | 0.3748 | |
| 386 | I | B | 0.0000 | |
| 387 | F | B | 1.2012 | |
| 388 | N | B | 0.0000 | |
| 389 | P | B | -0.9340 | |
| 390 | K | B | -1.8602 | |
| 391 | Y | B | -1.4915 | |
| 392 | D | B | -2.0457 | |
| 393 | C | B | -1.1412 | |
| 394 | K | B | -1.4342 | |
| 395 | I | B | 0.1786 | |
| 396 | M | B | 0.7222 | |
| 397 | T | B | 0.1034 | |
| 398 | S | B | -0.8350 | |
| 399 | K | B | -1.9322 | |
| 400 | T | B | -1.5433 | |
| 401 | D | B | -1.9326 | |
| 402 | V | B | -0.4534 | |
| 403 | S | B | -0.6515 | |
| 404 | S | B | 0.1641 | |
| 405 | S | B | 0.0000 | |
| 406 | V | B | 1.0878 | |
| 407 | I | B | 1.3388 | |
| 408 | T | B | 0.0000 | |
| 409 | S | B | -0.0067 | |
| 410 | L | B | -0.2493 | |
| 411 | G | B | 0.0000 | |
| 412 | A | B | 0.0000 | |
| 413 | I | B | 0.0000 | |
| 414 | V | B | 0.0000 | |
| 415 | S | B | 0.0000 | |
| 416 | C | B | 0.0000 | |
| 417 | Y | B | 0.0000 | |
| 418 | G | B | -2.0085 | |
| 419 | K | B | -2.6188 | |
| 420 | T | B | -2.2697 | |
| 421 | K | B | -2.5954 | |
| 422 | C | B | 0.0000 | |
| 423 | T | B | -0.2016 | |
| 424 | A | B | 0.0000 | |
| 425 | S | B | -0.3210 | |
| 426 | N | B | -2.0863 | |
| 427 | K | B | -2.8491 | |
| 428 | N | B | -2.9068 | |
| 429 | R | B | -2.5238 | |
| 430 | G | B | -1.0977 | |
| 431 | I | B | 0.8475 | |
| 432 | I | B | 0.2279 | |
| 433 | K | B | -0.5986 | |
| 434 | T | B | -0.5021 | |
| 435 | F | B | -1.0591 | |
| 436 | S | B | -1.3061 | |
| 437 | N | B | -1.8089 | |
| 438 | G | B | -0.9636 | |
| 439 | C | B | -0.7247 | |
| 440 | D | B | -1.0293 | |
| 441 | Y | B | -0.2084 | |
| 442 | V | B | 0.0000 | |
| 443 | S | B | -0.9848 | |
| 444 | N | B | -1.5121 | |
| 445 | K | B | -2.1706 | |
| 446 | G | B | -1.7192 | |
| 447 | V | B | 0.0000 | |
| 448 | D | B | -1.8381 | |
| 449 | T | B | -0.0313 | |
| 450 | V | B | 0.0000 | |
| 451 | S | B | 0.1768 | |
| 452 | V | B | 0.0000 | |
| 453 | G | B | -1.5626 | |
| 454 | N | B | -1.4517 | |
| 455 | T | B | -0.1958 | |
| 456 | L | B | 0.9946 | |
| 457 | Y | B | 1.3475 | |
| 458 | Y | B | 0.6538 | |
| 459 | V | B | 0.0000 | |
| 460 | N | B | -1.8728 | |
| 461 | K | B | -2.8260 | |
| 462 | Q | B | -3.0048 | |
| 463 | E | B | -3.4466 | |
| 464 | G | B | -2.5637 | |
| 465 | K | B | -2.0200 | |
| 466 | S | B | -0.3604 | |
| 467 | L | B | 1.8190 | |
| 468 | Y | B | 2.3857 | |
| 469 | V | B | 1.8103 | |
| 470 | K | B | -0.9592 | |
| 471 | G | B | -1.4402 | |
| 472 | E | B | -1.8206 | |
| 473 | P | B | 0.1108 | |
| 474 | I | B | 2.2657 | |
| 475 | I | B | 2.5566 | |
| 476 | N | B | 1.4037 | |
| 477 | F | B | 2.2326 | |
| 478 | Y | B | 1.2147 | |
| 479 | D | B | -0.2633 | |
| 480 | P | B | 0.7710 | |
| 481 | L | B | 2.4251 | |
| 482 | V | B | 3.1360 | |
| 483 | F | B | 2.7239 | |
| 484 | P | B | 0.1320 | |
| 485 | S | B | -0.7929 | |
| 486 | D | B | -2.5534 | |
| 487 | E | B | -2.2827 | |
| 488 | F | B | -0.6407 | |
| 489 | D | B | -2.0622 | |
| 490 | A | B | -1.4283 | |
| 491 | S | B | -0.8294 | |
| 492 | I | B | -0.5450 | |
| 493 | S | B | -1.4561 | |
| 494 | Q | B | -1.9762 | |
| 495 | V | B | -0.9347 | |
| 496 | N | B | -2.1550 | |
| 497 | E | B | -3.4851 | |
| 498 | K | B | -2.8325 | |
| 499 | I | B | -0.8513 | |
| 500 | N | B | -2.1445 | |
| 501 | Q | B | -1.8330 | |
| 502 | S | B | -0.3561 | |
| 503 | L | B | 0.6088 | |
| 504 | A | B | -0.1456 | |
| 505 | F | B | 1.1478 | |
| 506 | I | B | 0.9511 | |
| 507 | R | B | -1.9263 | |
| 508 | K | B | -1.8233 | |
| 509 | S | B | -0.8253 | |
| 510 | D | B | -2.0427 | |
| 511 | E | B | -2.2445 | |
| 512 | L | B | 0.0763 | |
| 513 | L | B | 0.6067 | |
| 514 | G | B | 0.2311 |
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