| Chain sequence(s) |
A: TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSSNLKPFERDISTEIYQAGSSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGP
B: QVQLVESGGGLVQAGGSLRLSCAASGFPVAYKTMWWYRQAPGKEREWVAAIESYGIKWTRRYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCIVWVGAQYHGQGTQVTVSAGRA 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 (00:03:43)
[INFO] Main: Simulation completed successfully. (00:03:45)
|
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 | -0.5935 | |
| 334 | N | A | -0.6708 | |
| 335 | L | A | 0.7505 | |
| 336 | C | A | 0.0000 | |
| 337 | P | A | -0.6836 | |
| 338 | F | A | -0.7652 | |
| 339 | G | A | -1.7003 | |
| 340 | E | A | -2.4377 | |
| 341 | V | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | N | A | -2.2032 | |
| 344 | A | A | -1.8077 | |
| 345 | T | A | -1.2503 | |
| 346 | R | A | -1.9741 | |
| 347 | F | A | 0.0000 | |
| 348 | A | A | -0.9676 | |
| 349 | S | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | Y | A | 0.0474 | |
| 352 | A | A | -0.2836 | |
| 353 | W | A | 0.0000 | |
| 354 | N | A | -1.7590 | |
| 355 | R | A | -1.8462 | |
| 356 | K | A | -2.0337 | |
| 357 | R | A | -2.2334 | |
| 358 | I | A | 0.0000 | |
| 359 | S | A | -1.1773 | |
| 360 | N | A | -1.3086 | |
| 361 | C | A | 0.0000 | |
| 362 | V | A | 0.1694 | |
| 363 | A | A | 0.0000 | |
| 364 | D | A | -0.3179 | |
| 365 | Y | A | 0.0000 | |
| 366 | S | A | -0.0044 | |
| 367 | V | A | 1.3009 | |
| 368 | L | A | 0.7481 | |
| 369 | Y | A | 0.3835 | |
| 370 | N | A | -0.4220 | |
| 371 | S | A | -0.0409 | |
| 372 | A | A | -0.0761 | |
| 373 | S | A | -0.2573 | |
| 374 | F | A | 0.0161 | |
| 375 | S | A | -0.1614 | |
| 376 | T | A | -0.1837 | |
| 377 | F | A | 0.0582 | |
| 378 | K | A | -0.1502 | |
| 379 | C | A | 0.0582 | |
| 380 | Y | A | -0.1364 | |
| 381 | G | A | -0.4689 | |
| 382 | V | A | -0.0669 | |
| 383 | S | A | -0.5416 | |
| 384 | P | A | -0.5879 | |
| 385 | T | A | -1.2333 | |
| 386 | K | A | -2.2536 | |
| 387 | L | A | 0.0000 | |
| 388 | N | A | -1.6541 | |
| 389 | D | A | -2.1886 | |
| 390 | L | A | -0.4127 | |
| 391 | C | A | 0.4976 | |
| 392 | F | A | 0.0000 | |
| 393 | T | A | 0.0000 | |
| 394 | N | A | -0.3377 | |
| 395 | V | A | 0.0000 | |
| 396 | Y | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | D | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | F | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | R | A | -0.2655 | |
| 404 | G | A | -0.5047 | |
| 405 | D | A | -1.2282 | |
| 406 | E | A | 0.0000 | |
| 407 | V | A | -1.1268 | |
| 408 | R | A | -2.2099 | |
| 409 | Q | A | -1.6000 | |
| 410 | I | A | 0.0000 | |
| 411 | A | A | -1.0771 | |
| 412 | P | A | -1.7014 | |
| 413 | G | A | -1.6733 | |
| 414 | Q | A | -1.5556 | |
| 415 | T | A | -0.9589 | |
| 416 | G | A | -0.8111 | |
| 417 | K | A | -0.7425 | |
| 418 | I | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | D | A | -1.4002 | |
| 421 | Y | A | -1.2830 | |
| 422 | N | A | 0.0000 | |
| 423 | Y | A | 0.0000 | |
| 424 | K | A | -1.6314 | |
| 425 | L | A | 0.0000 | |
| 426 | P | A | -1.9480 | |
| 427 | D | A | -2.9676 | |
| 428 | D | A | -2.7749 | |
| 429 | F | A | 0.0000 | |
| 430 | T | A | -0.6948 | |
| 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 | -0.0558 | |
| 437 | N | A | -0.2731 | |
| 438 | S | A | 0.0000 | |
| 439 | N | A | -0.6503 | |
| 440 | N | A | -1.0594 | |
| 441 | L | A | 0.2207 | |
| 442 | D | A | 0.0000 | |
| 443 | S | A | -0.9681 | |
| 444 | K | A | -1.4314 | |
| 445 | V | A | -0.6546 | |
| 446 | G | A | -0.6973 | |
| 447 | G | A | 0.0000 | |
| 448 | N | A | -1.1045 | |
| 449 | Y | A | 0.0000 | |
| 450 | N | A | -1.6138 | |
| 451 | Y | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | R | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | F | A | -0.4446 | |
| 457 | R | A | -1.6201 | |
| 458 | K | A | -2.2323 | |
| 459 | S | A | -1.9227 | |
| 460 | N | A | -2.4623 | |
| 461 | L | A | 0.0000 | |
| 462 | K | A | -2.5801 | |
| 463 | P | A | -1.7670 | |
| 464 | F | A | -0.9241 | |
| 465 | E | A | -2.2533 | |
| 466 | R | A | -1.8103 | |
| 467 | D | A | -0.3727 | |
| 468 | I | A | 0.6837 | |
| 469 | S | A | -0.0894 | |
| 470 | T | A | -0.3563 | |
| 471 | E | A | -1.0200 | |
| 472 | I | A | -0.4308 | |
| 473 | Y | A | -0.7058 | |
| 474 | Q | A | -1.4915 | |
| 475 | A | A | -0.6306 | |
| 476 | G | A | -0.4610 | |
| 477 | S | A | -0.6338 | |
| 478 | T | A | -0.4601 | |
| 479 | P | A | -0.5869 | |
| 480 | C | A | -0.5155 | |
| 481 | N | A | -1.0941 | |
| 482 | G | A | -0.5482 | |
| 483 | V | A | 1.1519 | |
| 484 | E | A | 0.4048 | |
| 485 | G | A | 0.9075 | |
| 486 | F | A | 1.6295 | |
| 487 | N | A | 0.1401 | |
| 488 | C | A | 0.0000 | |
| 489 | Y | A | 0.5811 | |
| 490 | F | A | 0.2954 | |
| 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 | 0.0000 | |
| 499 | P | A | -0.5478 | |
| 500 | T | A | -0.4414 | |
| 501 | N | A | 0.0000 | |
| 502 | G | A | 0.2111 | |
| 503 | V | A | 1.1866 | |
| 504 | G | A | 0.2486 | |
| 505 | Y | A | 0.2003 | |
| 506 | Q | A | -0.1118 | |
| 507 | P | A | 0.0000 | |
| 508 | Y | A | 0.1000 | |
| 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 | -0.2217 | |
| 515 | F | A | 0.3939 | |
| 516 | E | A | 0.6494 | |
| 517 | L | A | 1.6990 | |
| 518 | L | A | 1.1865 | |
| 519 | H | A | -0.1790 | |
| 520 | A | A | 0.0330 | |
| 521 | P | A | -0.1641 | |
| 522 | A | A | 0.1845 | |
| 523 | T | A | -0.2786 | |
| 524 | V | A | 0.0000 | |
| 525 | C | A | -0.1778 | |
| 526 | G | A | -0.8248 | |
| 527 | P | A | -0.5078 | |
| 1 | Q | B | -1.3002 | |
| 2 | V | B | -0.6979 | |
| 3 | Q | B | -1.0933 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.7041 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.5635 | |
| 8 | G | B | -0.9070 | |
| 9 | G | B | -0.7177 | |
| 10 | G | B | 0.0057 | |
| 11 | L | B | 1.0483 | |
| 12 | V | B | 0.0484 | |
| 13 | Q | B | -1.3172 | |
| 14 | A | B | -1.3997 | |
| 15 | G | B | -1.3856 | |
| 16 | G | B | -0.9347 | |
| 17 | S | B | -0.9151 | |
| 18 | L | B | -0.8083 | |
| 19 | R | B | -1.9007 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.3923 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.1153 | |
| 24 | A | B | -0.3211 | |
| 25 | S | B | -0.5991 | |
| 26 | G | B | -0.9761 | |
| 27 | F | B | 0.0000 | |
| 28 | P | B | -0.2094 | |
| 29 | V | B | 0.0000 | |
| 30 | A | B | 0.0943 | |
| 31 | Y | B | 0.7123 | |
| 32 | K | B | 0.0000 | |
| 33 | T | B | 0.0000 | |
| 34 | M | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | Y | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -1.7054 | |
| 40 | A | B | -1.7510 | |
| 41 | P | B | -1.3329 | |
| 42 | G | B | -1.9497 | |
| 43 | K | B | -3.1844 | |
| 44 | E | B | -3.2110 | |
| 45 | R | B | -2.1716 | |
| 46 | E | B | -1.6662 | |
| 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 | E | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | Y | B | 0.6310 | |
| 55 | G | B | 0.5855 | |
| 56 | I | B | 1.3893 | |
| 57 | K | B | -0.2760 | |
| 58 | W | B | 0.7066 | |
| 59 | T | B | 0.2528 | |
| 60 | R | B | 0.0000 | |
| 61 | Y | B | -0.8555 | |
| 62 | A | B | 0.0000 | |
| 63 | D | B | -2.5196 | |
| 64 | S | B | -1.7764 | |
| 65 | V | B | 0.0000 | |
| 66 | K | B | -2.5990 | |
| 67 | G | B | -1.7834 | |
| 68 | R | B | -1.4192 | |
| 69 | F | B | 0.0000 | |
| 70 | T | B | -0.7692 | |
| 71 | I | B | 0.0000 | |
| 72 | S | B | -0.5268 | |
| 73 | R | B | -1.1641 | |
| 74 | D | B | -1.8164 | |
| 75 | N | B | -2.2321 | |
| 76 | A | B | -1.6606 | |
| 77 | K | B | -2.4014 | |
| 78 | N | B | -1.8894 | |
| 79 | T | B | 0.0000 | |
| 80 | V | B | 0.0000 | |
| 81 | Y | B | -0.5729 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -1.0105 | |
| 84 | M | B | 0.0000 | |
| 85 | N | B | -1.4703 | |
| 86 | S | B | -1.3023 | |
| 87 | L | B | 0.0000 | |
| 88 | K | B | -2.4508 | |
| 89 | P | B | -1.9715 | |
| 90 | E | B | -2.3974 | |
| 91 | D | B | 0.0000 | |
| 92 | T | B | -0.9173 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | -0.5431 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | -0.3112 | |
| 97 | C | B | 0.0000 | |
| 98 | I | B | 0.0000 | |
| 99 | V | B | 0.0000 | |
| 100 | W | B | 0.0000 | |
| 101 | V | B | -0.0102 | |
| 102 | G | B | -0.4528 | |
| 103 | A | B | -0.7197 | |
| 104 | Q | B | -1.0995 | |
| 105 | Y | B | -0.9129 | |
| 106 | H | B | -1.2894 | |
| 107 | G | B | 0.0000 | |
| 108 | Q | B | -0.9801 | |
| 109 | G | B | 0.0000 | |
| 110 | T | B | 0.0000 | |
| 111 | Q | B | -1.0444 | |
| 112 | V | B | 0.0000 | |
| 113 | T | B | -0.4250 | |
| 114 | V | B | 0.0000 | |
| 115 | S | B | -1.1749 | |
| 116 | A | B | -1.2590 | |
| 117 | G | B | -1.5389 | |
| 118 | R | B | -2.0556 | |
| 119 | A | B | -0.9387 |
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