| Chain sequence(s) |
A: TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPK
B: QVQLVESGGGLVQAGGSLRLSCAASGFPVYRDRMAWYRQAPGKEREWVAAIYSAGQQTRYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDVGHHYEYYDYWGQGTQVTVSA 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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:57)
[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 | |
| 333 | T | A | -0.5254 | |
| 334 | N | A | -0.6760 | |
| 335 | L | A | 0.7935 | |
| 336 | C | A | 0.0000 | |
| 337 | P | A | -0.5884 | |
| 338 | F | A | 0.0000 | |
| 339 | G | A | -1.6997 | |
| 340 | E | A | -2.4585 | |
| 341 | V | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | N | A | -2.1902 | |
| 344 | A | A | -1.8619 | |
| 345 | T | A | -1.3150 | |
| 346 | R | A | -1.8940 | |
| 347 | F | A | 0.0000 | |
| 348 | A | A | -1.0008 | |
| 349 | S | A | -0.5884 | |
| 350 | V | A | 0.0000 | |
| 351 | Y | A | 0.1664 | |
| 352 | A | A | -0.1458 | |
| 353 | W | A | 0.0000 | |
| 354 | N | A | -1.9158 | |
| 355 | R | A | -2.0680 | |
| 356 | K | A | -2.2653 | |
| 357 | R | A | -2.2570 | |
| 358 | I | A | 0.0000 | |
| 359 | S | A | -1.1298 | |
| 360 | N | A | -1.2456 | |
| 361 | C | A | 0.0000 | |
| 362 | V | A | 0.0587 | |
| 363 | A | A | 0.0000 | |
| 364 | D | A | 0.1741 | |
| 365 | Y | A | 0.0000 | |
| 366 | S | A | 0.2187 | |
| 367 | V | A | 1.3648 | |
| 368 | L | A | 0.7468 | |
| 369 | Y | A | 0.3858 | |
| 370 | N | A | -0.4389 | |
| 371 | S | A | 0.0112 | |
| 372 | A | A | -0.0786 | |
| 373 | S | A | -0.2093 | |
| 374 | F | A | 0.0932 | |
| 375 | S | A | -0.1465 | |
| 376 | T | A | -0.1717 | |
| 377 | F | A | -0.0141 | |
| 378 | K | A | -0.3024 | |
| 379 | C | A | -0.0768 | |
| 380 | Y | A | -0.4115 | |
| 381 | G | A | -0.4869 | |
| 382 | V | A | -0.1971 | |
| 383 | S | A | -0.5430 | |
| 384 | P | A | -0.5721 | |
| 385 | T | A | -1.0249 | |
| 386 | K | A | -1.7853 | |
| 387 | L | A | 0.0000 | |
| 388 | N | A | -1.5785 | |
| 389 | D | A | -2.3894 | |
| 390 | L | A | -0.5979 | |
| 391 | C | A | 0.2997 | |
| 392 | F | A | 0.0000 | |
| 393 | T | A | 0.0000 | |
| 394 | N | A | -0.1951 | |
| 395 | V | A | 0.0000 | |
| 396 | Y | A | -0.9709 | |
| 397 | A | A | 0.0000 | |
| 398 | D | A | 0.0000 | |
| 399 | S | A | -0.7149 | |
| 400 | F | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | R | A | 0.0000 | |
| 404 | G | A | -0.5039 | |
| 405 | D | A | -1.1457 | |
| 406 | E | A | 0.0000 | |
| 407 | V | A | -0.8651 | |
| 408 | R | A | -1.7741 | |
| 409 | Q | A | 0.0000 | |
| 410 | I | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | P | A | -1.6833 | |
| 413 | G | A | -1.5256 | |
| 414 | Q | A | -1.3298 | |
| 415 | T | A | -0.9455 | |
| 416 | G | A | -0.8033 | |
| 417 | K | A | -0.5809 | |
| 418 | I | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | D | A | -1.2458 | |
| 421 | Y | A | -1.1041 | |
| 422 | N | A | 0.0000 | |
| 423 | Y | A | 0.0000 | |
| 424 | K | A | -1.5123 | |
| 425 | L | A | 0.0000 | |
| 426 | P | A | -2.0046 | |
| 427 | D | A | -2.9311 | |
| 428 | D | A | -2.7837 | |
| 429 | F | A | 0.0000 | |
| 430 | T | A | -0.7486 | |
| 431 | G | A | 0.0000 | |
| 432 | C | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | W | A | -0.0612 | |
| 437 | N | A | -0.2991 | |
| 438 | S | A | 0.0000 | |
| 439 | N | A | -0.4925 | |
| 440 | N | A | -0.9266 | |
| 441 | L | A | 0.3825 | |
| 442 | D | A | 0.0000 | |
| 443 | S | A | -0.4779 | |
| 444 | K | A | -0.6325 | |
| 445 | V | A | 0.8675 | |
| 446 | G | A | -0.0771 | |
| 447 | G | A | 0.0000 | |
| 448 | N | A | -0.7073 | |
| 449 | Y | A | 0.0000 | |
| 450 | N | A | -1.2028 | |
| 451 | Y | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | R | A | 0.0000 | |
| 455 | L | A | 0.3582 | |
| 456 | F | A | -0.1084 | |
| 457 | R | A | -1.3175 | |
| 458 | K | A | -2.1748 | |
| 459 | S | A | -1.9025 | |
| 460 | N | A | -2.3807 | |
| 461 | L | A | 0.0000 | |
| 462 | K | A | -2.3886 | |
| 463 | P | A | -1.8098 | |
| 464 | F | A | -0.7046 | |
| 465 | E | A | -1.3804 | |
| 466 | R | A | -1.2197 | |
| 467 | D | A | -0.0187 | |
| 468 | I | A | 0.8450 | |
| 469 | S | A | -0.1849 | |
| 470 | T | A | -0.9652 | |
| 471 | E | A | -2.0778 | |
| 472 | I | A | 0.0000 | |
| 473 | Y | A | -0.9217 | |
| 474 | Q | A | -1.5786 | |
| 475 | A | A | -0.8136 | |
| 476 | G | A | -0.7771 | |
| 477 | S | A | -0.8193 | |
| 478 | T | A | -0.6568 | |
| 479 | P | A | -1.0973 | |
| 480 | C | A | 0.0000 | |
| 481 | N | A | -1.8956 | |
| 482 | G | A | -1.4519 | |
| 483 | V | A | -0.5657 | |
| 484 | E | A | 0.0000 | |
| 485 | G | A | 0.3044 | |
| 486 | F | A | 1.1750 | |
| 487 | N | A | -0.2949 | |
| 488 | C | A | 0.0000 | |
| 489 | Y | A | 0.3967 | |
| 490 | F | A | 0.0000 | |
| 491 | P | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | Q | A | 0.0000 | |
| 494 | S | A | 0.0000 | |
| 495 | Y | A | 0.0000 | |
| 496 | G | A | 0.0000 | |
| 497 | F | A | 0.0000 | |
| 498 | Q | A | -0.4586 | |
| 499 | P | A | -0.2288 | |
| 500 | T | A | -0.0701 | |
| 501 | N | A | -0.1337 | |
| 502 | G | A | 0.3092 | |
| 503 | V | A | 1.1542 | |
| 504 | G | A | -0.0514 | |
| 505 | Y | A | 0.0000 | |
| 506 | Q | A | -0.2061 | |
| 507 | P | A | 0.0000 | |
| 508 | Y | A | 0.0860 | |
| 509 | R | A | 0.0000 | |
| 510 | V | A | 0.0000 | |
| 511 | V | A | 0.0000 | |
| 512 | V | A | 0.0000 | |
| 513 | L | A | 0.0000 | |
| 514 | S | A | -0.2268 | |
| 515 | F | A | 0.0000 | |
| 516 | E | A | 0.7078 | |
| 517 | L | A | 1.9328 | |
| 518 | L | A | 1.6837 | |
| 519 | H | A | 0.0433 | |
| 520 | A | A | 0.1992 | |
| 521 | P | A | 0.0301 | |
| 522 | A | A | 0.1788 | |
| 523 | T | A | -0.3260 | |
| 524 | V | A | 0.0000 | |
| 525 | C | A | -0.2719 | |
| 526 | G | A | -0.8726 | |
| 527 | P | A | -1.0007 | |
| 528 | K | A | -1.9432 | |
| 1 | Q | B | -1.4304 | |
| 2 | V | B | -0.8268 | |
| 3 | Q | B | -1.0365 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.7265 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.6706 | |
| 8 | G | B | -1.2975 | |
| 9 | G | B | -0.8292 | |
| 10 | G | B | 0.0769 | |
| 11 | L | B | 1.0014 | |
| 12 | V | B | 0.0211 | |
| 13 | Q | B | -1.1699 | |
| 14 | A | B | -1.3254 | |
| 15 | G | B | -1.2771 | |
| 16 | G | B | -0.8453 | |
| 17 | S | B | -1.0584 | |
| 18 | L | B | -0.9591 | |
| 19 | R | B | -2.0948 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.4343 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.1609 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.6698 | |
| 26 | G | B | -0.6816 | |
| 27 | F | B | 0.0000 | |
| 28 | P | B | -0.5031 | |
| 29 | V | B | 0.0000 | |
| 30 | Y | B | -0.1196 | |
| 31 | R | B | 0.0000 | |
| 32 | D | B | 0.0000 | |
| 33 | R | B | 0.0000 | |
| 34 | M | B | 0.0000 | |
| 35 | A | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | Y | B | -0.2739 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -2.0365 | |
| 40 | A | B | -1.9862 | |
| 41 | P | B | -1.3759 | |
| 42 | G | B | -1.9313 | |
| 43 | K | B | -3.3175 | |
| 44 | E | B | -3.4918 | |
| 45 | R | B | -2.5453 | |
| 46 | E | B | -2.0573 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | Y | B | 0.0000 | |
| 53 | S | B | -0.7191 | |
| 54 | A | B | -0.8036 | |
| 55 | G | B | -1.5578 | |
| 56 | Q | B | -2.3167 | |
| 57 | Q | B | -1.9613 | |
| 58 | T | B | -1.0173 | |
| 59 | R | B | 0.0000 | |
| 60 | Y | B | -0.8398 | |
| 61 | A | B | -1.5322 | |
| 62 | D | B | -2.5054 | |
| 63 | S | B | -1.7789 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.3598 | |
| 66 | G | B | -1.6714 | |
| 67 | R | B | -1.3277 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.7828 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.6615 | |
| 72 | R | B | -1.3585 | |
| 73 | D | B | -1.8022 | |
| 74 | N | B | -2.1324 | |
| 75 | A | B | -1.6715 | |
| 76 | K | B | -2.4421 | |
| 77 | N | B | -1.7667 | |
| 78 | T | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | Y | B | -0.5602 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.1706 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.4819 | |
| 85 | S | B | -1.1868 | |
| 86 | L | B | 0.0000 | |
| 87 | K | B | -2.0803 | |
| 88 | P | B | -1.7029 | |
| 89 | E | B | -2.2254 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.8920 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | -0.4286 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | -0.0853 | |
| 96 | C | B | 0.0000 | |
| 97 | N | B | 0.0000 | |
| 98 | V | B | 0.0000 | |
| 99 | K | B | -0.7094 | |
| 100 | D | B | -0.2462 | |
| 101 | V | B | 0.0000 | |
| 102 | G | B | -0.3797 | |
| 103 | H | B | -0.9598 | |
| 104 | H | B | -1.1543 | |
| 105 | Y | B | -0.2487 | |
| 106 | E | B | -0.3205 | |
| 107 | Y | B | 0.2349 | |
| 108 | Y | B | 0.6196 | |
| 109 | D | B | -0.5725 | |
| 110 | Y | B | -0.0166 | |
| 111 | W | B | 0.0695 | |
| 112 | G | B | -0.1488 | |
| 113 | Q | B | -1.0160 | |
| 114 | G | B | 0.0000 | |
| 115 | T | B | 0.0000 | |
| 116 | Q | B | -1.1413 | |
| 117 | V | B | 0.0000 | |
| 118 | T | B | -0.2948 | |
| 119 | V | B | 0.0000 | |
| 120 | S | B | -0.7066 | |
| 121 | A | B | -0.7530 |
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