| Chain sequence(s) |
A: NLCPFDEVFNATRFASVYAWNRKRISNCVADYSVLYPFFTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNKLDSKVSGNYNYLYRLFRKSNLKPFERDISTEIYQAGNKPCNGVAGFNCYFPLRSYSFRPTYGVGHQPYRVVVLSFELLHAPATVCG
B: DVHLVESGGGLIQPGGSLRLSCAASEFIVSANYMSWVRQAPGEGLQWVSVIYPGGSTFYAESVKGRFTISRDNSRNTLYLQMNSLRAEDTGVYYCARDYGDFYFDYWGQGTLVTVS D: EIVLTQSPGTLSLSPGERASLSCRASQSLSTYLAWYQQKPGQAPRLLIFGASSRASGIPDRFSGGGSGTDFTLTISRLEPEDFAVYYCQQYGSSPRTFGQGTKVEI input PDB |
| Selected Chain(s) | A,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | AD397A,YC396A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 4.30468 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:05:11)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:41)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:29)
[INFO] Main: Simulation completed successfully. (00:08:32)
|
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 | |
| 334 | N | A | -0.6807 | |
| 335 | L | A | 0.4686 | |
| 336 | C | A | 0.0000 | |
| 337 | P | A | -1.0798 | |
| 338 | F | A | 0.0000 | |
| 339 | D | A | -2.5518 | |
| 340 | E | A | -3.1226 | |
| 341 | V | A | 0.0000 | |
| 342 | F | A | -1.2904 | |
| 343 | N | A | -2.5211 | |
| 344 | A | A | -1.9619 | |
| 345 | T | A | -1.1053 | |
| 346 | R | A | -1.4622 | |
| 347 | F | A | 0.0000 | |
| 348 | A | A | -0.6650 | |
| 349 | S | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | Y | A | -0.0792 | |
| 352 | A | A | -0.4011 | |
| 353 | W | A | 0.0000 | |
| 354 | N | A | -1.8290 | |
| 355 | R | A | -2.4648 | |
| 356 | K | A | -2.5028 | |
| 357 | R | A | -2.4599 | |
| 358 | I | A | 0.0000 | |
| 359 | S | A | -0.9583 | |
| 360 | N | A | -1.0583 | |
| 361 | C | A | -0.3267 | |
| 362 | V | A | 0.0990 | |
| 363 | A | A | 0.0000 | |
| 364 | D | A | -0.9694 | |
| 365 | Y | A | 0.0000 | |
| 366 | S | A | 0.6278 | |
| 367 | V | A | 1.7058 | |
| 368 | L | A | 1.5053 | |
| 369 | Y | A | 1.9893 | |
| 373 | P | A | 1.1098 | |
| 374 | F | A | 2.2111 | |
| 375 | F | A | 1.9108 | |
| 376 | T | A | 1.0200 | |
| 377 | F | A | 1.0357 | |
| 378 | K | A | 0.2754 | |
| 379 | C | A | 0.2003 | |
| 380 | Y | A | -0.0807 | |
| 381 | G | A | -0.5125 | |
| 382 | V | A | -0.2121 | |
| 383 | S | A | -0.6467 | |
| 384 | P | A | -0.7666 | |
| 385 | T | A | -1.3549 | |
| 386 | K | A | -2.5516 | |
| 387 | L | A | 0.0000 | |
| 388 | N | A | -2.2304 | |
| 389 | D | A | -2.4946 | |
| 390 | L | A | -0.8275 | |
| 391 | C | A | 0.6221 | |
| 392 | F | A | 0.0000 | |
| 393 | T | A | 0.0000 | |
| 394 | N | A | -0.4035 | |
| 395 | V | A | 0.0000 | |
| 396 | C | A | 0.0000 | mutated: YC396A |
| 397 | D | A | 0.0000 | mutated: AD397A |
| 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 | -0.3863 | |
| 404 | G | A | -0.5883 | |
| 405 | D | A | -1.1631 | |
| 406 | E | A | 0.0000 | |
| 407 | V | A | -1.0612 | |
| 408 | R | A | -2.1023 | |
| 409 | Q | A | -1.4128 | |
| 410 | I | A | 0.0000 | |
| 411 | A | A | -0.9997 | |
| 412 | P | A | -1.6451 | |
| 413 | G | A | -1.5504 | |
| 414 | Q | A | -1.3619 | |
| 415 | T | A | -0.6841 | |
| 416 | G | A | 0.0000 | |
| 417 | N | A | -0.4358 | |
| 418 | I | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | D | A | 0.0000 | |
| 421 | Y | A | 0.0000 | |
| 422 | N | A | 0.0000 | |
| 423 | Y | A | 0.0000 | |
| 424 | K | A | -1.4148 | |
| 425 | L | A | 0.0000 | |
| 426 | P | A | -1.9322 | |
| 427 | D | A | -2.9417 | |
| 428 | D | A | -2.7710 | |
| 429 | F | A | 0.0000 | |
| 430 | T | A | -0.6480 | |
| 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 | 0.8061 | |
| 437 | N | A | 0.2569 | |
| 438 | S | A | 0.0000 | |
| 439 | N | A | -0.9403 | |
| 440 | K | A | -1.4632 | |
| 441 | L | A | 0.0571 | |
| 442 | D | A | 0.0000 | |
| 443 | S | A | -0.7646 | |
| 444 | K | A | -1.1201 | |
| 445 | V | A | 0.5381 | |
| 446 | S | A | 0.0477 | |
| 447 | G | A | -0.3224 | |
| 448 | N | A | 0.0000 | |
| 449 | Y | A | 0.3389 | |
| 450 | N | A | -0.5891 | |
| 451 | Y | A | 0.0000 | |
| 452 | L | A | 0.0984 | |
| 453 | Y | A | 0.0000 | |
| 454 | R | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | F | A | 0.0000 | |
| 457 | R | A | -1.4035 | |
| 458 | K | A | -2.2814 | |
| 459 | S | A | -1.8609 | |
| 460 | N | A | -2.0813 | |
| 461 | L | A | 0.0000 | |
| 462 | K | A | -2.3771 | |
| 463 | P | A | -1.5662 | |
| 464 | F | A | -0.9224 | |
| 465 | E | A | -1.9212 | |
| 466 | R | A | -2.1345 | |
| 467 | D | A | -0.5461 | |
| 468 | I | A | 0.4572 | |
| 469 | S | A | -0.1875 | |
| 470 | T | A | -0.2684 | |
| 471 | E | A | -1.3025 | |
| 472 | I | A | -0.0307 | |
| 473 | Y | A | 0.0000 | |
| 474 | Q | A | -1.3065 | |
| 475 | A | A | 0.0000 | |
| 476 | G | A | 0.0000 | |
| 477 | N | A | -2.2587 | |
| 478 | K | A | -2.6061 | |
| 479 | P | A | -1.7663 | |
| 480 | C | A | 0.0000 | |
| 481 | N | A | -1.2715 | |
| 482 | G | A | -0.3268 | |
| 483 | V | A | 1.4676 | |
| 484 | A | A | 1.1095 | |
| 485 | G | A | 0.7869 | |
| 486 | F | A | 1.0415 | |
| 487 | N | A | 0.0000 | |
| 488 | C | A | 0.0000 | |
| 489 | Y | A | 0.9846 | |
| 490 | F | A | 1.2509 | |
| 491 | P | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | R | A | -0.0957 | |
| 494 | S | A | -0.1061 | |
| 495 | Y | A | 0.0000 | |
| 496 | S | A | -0.3851 | |
| 497 | F | A | 0.0000 | |
| 498 | R | A | -0.8277 | |
| 499 | P | A | -0.6145 | |
| 500 | T | A | -0.1786 | |
| 501 | Y | A | 0.0000 | |
| 502 | G | A | 0.2089 | |
| 503 | V | A | 1.2511 | |
| 504 | G | A | 0.1806 | |
| 505 | H | A | -0.1872 | |
| 506 | Q | A | -0.3524 | |
| 507 | P | A | 0.0000 | |
| 508 | Y | A | 0.2271 | |
| 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 | -0.4143 | |
| 515 | F | A | 0.0000 | |
| 516 | E | A | 0.0614 | |
| 517 | L | A | 1.3290 | |
| 518 | L | A | 0.8139 | |
| 519 | H | A | -0.3027 | |
| 520 | A | A | -0.0594 | |
| 521 | P | A | -0.1086 | |
| 522 | A | A | 0.1328 | |
| 523 | T | A | -0.0262 | |
| 524 | V | A | 0.0000 | |
| 525 | C | A | 0.1090 | |
| 526 | G | A | -0.9804 | |
| 1 | E | D | -1.4703 | |
| 2 | I | D | -0.3486 | |
| 3 | V | D | 0.8704 | |
| 4 | L | D | 0.0000 | |
| 5 | T | D | -0.5129 | |
| 6 | Q | D | 0.0000 | |
| 7 | S | D | -0.7176 | |
| 8 | P | D | -0.5368 | |
| 9 | G | D | -0.9681 | |
| 10 | T | D | -0.7751 | |
| 11 | L | D | -0.0959 | |
| 12 | S | D | 0.1814 | |
| 13 | L | D | -0.0250 | |
| 14 | S | D | -0.4154 | |
| 15 | P | D | -1.5671 | |
| 16 | G | D | -2.4654 | |
| 17 | E | D | -4.0539 | |
| 18 | R | D | -3.5123 | |
| 19 | A | D | 0.0000 | |
| 20 | S | D | -0.5713 | |
| 21 | L | D | 0.0000 | |
| 22 | S | D | -0.8753 | |
| 23 | C | D | 0.0000 | |
| 24 | R | D | -1.7849 | |
| 25 | A | D | -1.1253 | |
| 26 | S | D | -0.9348 | |
| 27 | Q | D | -1.6156 | |
| 28 | S | D | -1.0402 | |
| 29 | L | D | 0.0000 | |
| 30 | S | D | 0.0000 | |
| 31 | T | D | -0.3561 | |
| 32 | Y | D | 0.0459 | |
| 33 | L | D | 0.0000 | |
| 34 | A | D | 0.0000 | |
| 35 | W | D | 0.0000 | |
| 36 | Y | D | 0.0000 | |
| 37 | Q | D | 0.0000 | |
| 38 | Q | D | 0.0000 | |
| 39 | K | D | -1.7537 | |
| 40 | P | D | -1.1224 | |
| 41 | G | D | -1.4846 | |
| 42 | Q | D | -2.1203 | |
| 43 | A | D | -1.3683 | |
| 44 | P | D | 0.0000 | |
| 45 | R | D | -1.3462 | |
| 46 | L | D | 0.0000 | |
| 47 | L | D | 0.0000 | |
| 48 | I | D | 0.0000 | |
| 49 | F | D | -0.0499 | |
| 50 | G | D | -0.2277 | |
| 51 | A | D | 0.0000 | |
| 52 | S | D | -0.6323 | |
| 53 | S | D | -0.7156 | |
| 54 | R | D | -1.5069 | |
| 55 | A | D | -0.7642 | |
| 56 | S | D | -0.5847 | |
| 57 | G | D | -0.9568 | |
| 58 | I | D | 0.0000 | |
| 59 | P | D | -1.3665 | |
| 60 | D | D | -2.4157 | |
| 61 | R | D | -2.0491 | |
| 62 | F | D | 0.0000 | |
| 63 | S | D | -0.9635 | |
| 64 | G | D | -0.5329 | |
| 65 | G | D | -0.7575 | |
| 66 | G | D | -1.0707 | |
| 67 | S | D | -0.8910 | |
| 68 | G | D | -1.1620 | |
| 69 | T | D | -1.7591 | |
| 70 | D | D | -2.5424 | |
| 71 | F | D | 0.0000 | |
| 72 | T | D | -0.8392 | |
| 73 | L | D | 0.0000 | |
| 74 | T | D | -0.8378 | |
| 75 | I | D | 0.0000 | |
| 76 | S | D | -2.7519 | |
| 77 | R | D | -4.0502 | |
| 78 | L | D | 0.0000 | |
| 79 | E | D | -2.8104 | |
| 80 | P | D | -1.6617 | |
| 81 | E | D | -2.2863 | |
| 82 | D | D | 0.0000 | |
| 83 | F | D | -0.7098 | |
| 84 | A | D | 0.0000 | |
| 85 | V | D | -0.5836 | |
| 86 | Y | D | 0.0000 | |
| 87 | Y | D | 0.0000 | |
| 88 | C | D | 0.0000 | |
| 89 | Q | D | 0.0000 | |
| 90 | Q | D | 0.0000 | |
| 91 | Y | D | 0.0000 | |
| 92 | G | D | -0.5697 | |
| 93 | S | D | -0.7425 | |
| 94 | S | D | -0.8078 | |
| 95 | P | D | -0.9591 | |
| 96 | R | D | -0.6338 | |
| 97 | T | D | -0.3034 | |
| 98 | F | D | -0.1253 | |
| 99 | G | D | 0.0000 | |
| 100 | Q | D | -1.5782 | |
| 101 | G | D | -1.2382 | |
| 102 | T | D | 0.0000 | |
| 103 | K | D | -1.4769 | |
| 104 | V | D | 0.0000 | |
| 105 | E | D | -0.0544 | |
| 106 | I | D | 1.5789 | |
| 1 | D | B | -2.0060 | |
| 2 | V | B | -0.7854 | |
| 3 | H | B | -1.0722 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 1.2366 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.2271 | |
| 8 | G | B | -0.6400 | |
| 9 | G | B | 0.0275 | |
| 10 | G | B | 0.5915 | |
| 11 | L | B | 1.3700 | |
| 12 | I | B | 0.0159 | |
| 13 | Q | B | -1.2627 | |
| 14 | P | B | -1.6935 | |
| 15 | G | B | -1.5468 | |
| 16 | G | B | -1.0165 | |
| 17 | S | B | -1.1327 | |
| 18 | L | B | -1.0085 | |
| 19 | R | B | -2.0329 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.3608 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | 0.0314 | |
| 24 | A | B | -0.2766 | |
| 25 | S | B | -0.7519 | |
| 26 | E | B | -1.4357 | |
| 27 | F | B | 0.0000 | |
| 28 | I | B | -0.1994 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -0.8403 | |
| 31 | A | B | -0.7338 | |
| 32 | N | B | 0.0000 | |
| 33 | Y | B | 0.0000 | |
| 34 | M | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.5921 | |
| 40 | A | B | -1.0708 | |
| 41 | P | B | -0.9034 | |
| 42 | G | B | -1.5243 | |
| 43 | E | B | -2.5154 | |
| 44 | G | B | -1.6555 | |
| 45 | L | B | 0.0000 | |
| 46 | Q | B | -0.6617 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | V | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | Y | B | 0.0000 | |
| 53 | P | B | 0.0000 | |
| 54 | G | B | -1.2505 | |
| 55 | G | B | -0.8964 | |
| 56 | S | B | -0.2984 | |
| 57 | T | B | 0.0904 | |
| 58 | F | B | -0.0052 | |
| 59 | Y | B | -0.7581 | |
| 60 | A | B | 0.0000 | |
| 61 | E | B | -2.3722 | |
| 62 | S | B | -1.5896 | |
| 63 | V | B | 0.0000 | |
| 64 | K | B | -2.4793 | |
| 65 | G | B | -1.7734 | |
| 66 | R | B | -1.4146 | |
| 67 | F | B | 0.0000 | |
| 68 | T | B | -0.8497 | |
| 69 | I | B | 0.0000 | |
| 70 | S | B | -0.4410 | |
| 71 | R | B | -1.2450 | |
| 72 | D | B | -1.8172 | |
| 73 | N | B | -2.2343 | |
| 74 | S | B | -1.9799 | |
| 75 | R | B | -2.5987 | |
| 76 | N | B | -1.7918 | |
| 77 | T | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | Y | B | -0.6157 | |
| 80 | L | B | 0.0000 | |
| 81 | Q | B | -1.2801 | |
| 82 | M | B | 0.0000 | |
| 83 | N | B | -1.6474 | |
| 84 | S | B | -1.4832 | |
| 85 | L | B | 0.0000 | |
| 86 | R | B | -2.8608 | |
| 87 | A | B | -2.0200 | |
| 88 | E | B | -2.3964 | |
| 89 | D | B | 0.0000 | |
| 90 | T | B | -0.4982 | |
| 91 | G | B | 0.0000 | |
| 92 | V | B | 0.6334 | |
| 93 | Y | B | 0.0000 | |
| 94 | Y | B | 0.0000 | |
| 95 | C | B | 0.0000 | |
| 96 | A | B | 0.0000 | |
| 97 | R | B | 0.0000 | |
| 98 | D | B | 0.0000 | |
| 99 | Y | B | 0.1467 | |
| 100 | G | B | 0.0000 | |
| 101 | D | B | -0.1974 | |
| 102 | F | B | 0.0000 | |
| 103 | Y | B | 0.0000 | |
| 104 | F | B | 0.0000 | |
| 105 | D | B | -0.2524 | |
| 106 | Y | B | 0.0304 | |
| 107 | W | B | -0.2624 | |
| 108 | G | B | 0.0000 | |
| 109 | Q | B | -1.1353 | |
| 110 | G | B | 0.0000 | |
| 111 | T | B | 0.4472 | |
| 112 | L | B | 1.2887 | |
| 113 | V | B | 0.0000 | |
| 114 | T | B | 0.2265 | |
| 115 | V | B | 0.0000 | |
| 116 | S | B | -0.4114 |
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