| Chain sequence(s) |
A: ERGQLLAVAGSTGAGKTSLLMMIMGELEPSGRISFCPQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFPEKDNTVLGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNLQP
C: QVQLQESGGGLVQAGGSLRLSCAASGSIFRIDAMGWYRQAPGKQRELVAHSTSGGSTDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNADVRTRWYASNNYWGQGTQVTVSS B: QVQLQESGGGLVQAGGSLRLSCAASGSTFAIIAMGWYRQAPGKQRELVAVISTGDTRYADSVKGRFTISRDNAKNTVYLQMDSLRPEDTAVYYCNAAVQVRDYRNYWGQGTQVTVSSA input PDB |
| Selected Chain(s) | A,C,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 (00:07:08)
[INFO] Main: Simulation completed successfully. (00:07:12)
|
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 | |
| 449 | E | A | -3.1025 | |
| 450 | R | A | -3.3063 | |
| 451 | G | A | -2.5367 | |
| 452 | Q | A | -2.3122 | |
| 453 | L | A | 0.0000 | |
| 454 | L | A | -0.6443 | |
| 455 | A | A | 0.0000 | |
| 456 | V | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | G | A | -0.3494 | |
| 459 | S | A | -0.7393 | |
| 460 | T | A | 0.0000 | |
| 461 | G | A | -0.8126 | |
| 462 | A | A | -0.7326 | |
| 463 | G | A | -1.0963 | |
| 464 | K | A | -1.4795 | |
| 465 | T | A | -0.7560 | |
| 466 | S | A | 0.0000 | |
| 467 | L | A | 0.2922 | |
| 468 | L | A | 0.0000 | |
| 469 | M | A | 0.0000 | |
| 470 | M | A | 0.2987 | |
| 471 | I | A | 0.5840 | |
| 472 | M | A | 0.0000 | |
| 473 | G | A | -0.6377 | |
| 474 | E | A | -1.1587 | |
| 475 | L | A | 0.1135 | |
| 476 | E | A | -1.0030 | |
| 477 | P | A | -0.7487 | |
| 485 | S | A | -0.9039 | |
| 486 | G | A | -1.5952 | |
| 487 | R | A | -2.4545 | |
| 488 | I | A | -0.9946 | |
| 489 | S | A | 0.0000 | |
| 490 | F | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | P | A | -0.2784 | |
| 493 | Q | A | -0.3074 | |
| 494 | F | A | -0.0526 | |
| 495 | S | A | 0.0000 | |
| 496 | W | A | 0.0000 | |
| 497 | I | A | 0.0000 | |
| 498 | M | A | 0.0000 | |
| 499 | P | A | -0.4795 | |
| 500 | G | A | -0.5061 | |
| 501 | T | A | -0.9693 | |
| 502 | I | A | 0.0000 | |
| 503 | K | A | -1.6568 | |
| 504 | E | A | -1.5161 | |
| 505 | N | A | 0.0000 | |
| 506 | I | A | 0.0000 | |
| 507 | I | A | -0.2076 | |
| 508 | F | A | -0.3045 | |
| 509 | G | A | -0.4737 | |
| 510 | V | A | -0.2251 | |
| 511 | S | A | -0.1974 | |
| 512 | Y | A | 0.4128 | |
| 513 | D | A | -0.6394 | |
| 514 | E | A | -0.9505 | |
| 515 | Y | A | 0.1403 | |
| 516 | R | A | -0.8628 | |
| 517 | Y | A | 0.0000 | |
| 518 | R | A | -1.8185 | |
| 519 | S | A | -1.2904 | |
| 520 | V | A | 0.0000 | |
| 521 | I | A | 0.0000 | |
| 522 | K | A | -2.8001 | |
| 523 | A | A | 0.0000 | |
| 524 | C | A | 0.0000 | |
| 525 | Q | A | -2.1001 | |
| 526 | L | A | 0.0000 | |
| 527 | E | A | -3.6107 | |
| 528 | E | A | -3.5370 | |
| 529 | D | A | -2.4864 | |
| 530 | I | A | 0.0000 | |
| 531 | S | A | -2.7856 | |
| 532 | K | A | -3.1075 | |
| 533 | F | A | 0.0000 | |
| 534 | P | A | -2.1446 | |
| 535 | E | A | -3.0503 | |
| 536 | K | A | -3.3988 | |
| 537 | D | A | -2.6472 | |
| 538 | N | A | -2.4871 | |
| 539 | T | A | 0.0000 | |
| 540 | V | A | 0.0760 | |
| 541 | L | A | 0.0000 | |
| 542 | G | A | -0.8269 | |
| 543 | E | A | -1.9524 | |
| 544 | G | A | -1.1517 | |
| 545 | G | A | -0.3040 | |
| 546 | I | A | 0.4002 | |
| 547 | T | A | -0.1976 | |
| 548 | L | A | 0.0826 | |
| 549 | S | A | -0.4522 | |
| 550 | G | A | -0.4374 | |
| 551 | G | A | -0.2684 | |
| 552 | Q | A | -0.4575 | |
| 553 | R | A | -0.2942 | |
| 554 | A | A | 0.0000 | |
| 555 | R | A | -0.3725 | |
| 556 | I | A | 0.0000 | |
| 557 | S | A | 0.0000 | |
| 558 | L | A | 0.0000 | |
| 559 | A | A | 0.0000 | |
| 560 | R | A | 0.0000 | |
| 561 | A | A | 0.0000 | |
| 562 | V | A | 0.0000 | |
| 563 | Y | A | 0.0000 | |
| 564 | K | A | -1.0435 | |
| 565 | D | A | -2.0463 | |
| 566 | A | A | 0.0000 | |
| 567 | D | A | -2.3087 | |
| 568 | L | A | -1.0676 | |
| 569 | Y | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | L | A | 0.0000 | |
| 572 | D | A | 0.0000 | |
| 573 | S | A | -0.1276 | |
| 574 | P | A | 0.0000 | |
| 575 | F | A | 0.0000 | |
| 576 | G | A | -0.0162 | |
| 577 | Y | A | 0.3206 | |
| 578 | L | A | 0.0000 | |
| 579 | D | A | -0.2543 | |
| 580 | V | A | 0.0000 | |
| 581 | L | A | -0.6961 | |
| 582 | T | A | -0.7991 | |
| 583 | E | A | 0.0000 | |
| 584 | K | A | -2.2502 | |
| 585 | E | A | -2.6822 | |
| 586 | I | A | 0.0000 | |
| 587 | F | A | 0.0000 | |
| 588 | E | A | -2.4400 | |
| 589 | S | A | -1.9503 | |
| 590 | C | A | 0.0000 | |
| 591 | V | A | 0.0000 | |
| 592 | C | A | -1.5328 | |
| 593 | K | A | -1.8361 | |
| 594 | L | A | -0.9229 | |
| 595 | M | A | 0.0000 | |
| 596 | A | A | -1.1635 | |
| 597 | N | A | -1.9743 | |
| 598 | K | A | -1.7061 | |
| 599 | T | A | -1.6916 | |
| 600 | R | A | 0.0000 | |
| 601 | I | A | 0.3187 | |
| 602 | L | A | 0.0000 | |
| 603 | V | A | 0.0000 | |
| 604 | T | A | 0.0000 | |
| 605 | S | A | -0.3013 | |
| 606 | K | A | -0.7282 | |
| 607 | M | A | -1.0937 | |
| 608 | E | A | -1.4745 | |
| 609 | H | A | 0.0000 | |
| 610 | L | A | 0.0000 | |
| 611 | K | A | -2.6109 | |
| 612 | K | A | -2.4802 | |
| 613 | A | A | 0.0000 | |
| 614 | D | A | -2.3811 | |
| 615 | K | A | -1.8832 | |
| 616 | I | A | 0.0000 | |
| 617 | L | A | 0.8072 | |
| 618 | I | A | 0.0000 | |
| 619 | L | A | 0.1036 | |
| 620 | H | A | -1.0451 | |
| 621 | E | A | -2.2172 | |
| 622 | G | A | -1.4359 | |
| 623 | S | A | -0.6936 | |
| 624 | S | A | -0.1898 | |
| 625 | Y | A | 1.1584 | |
| 626 | F | A | 1.0986 | |
| 627 | Y | A | 0.9265 | |
| 628 | G | A | -0.2848 | |
| 629 | T | A | -1.4642 | |
| 630 | F | A | -1.7779 | |
| 631 | S | A | -1.7323 | |
| 632 | E | A | -2.2300 | |
| 633 | L | A | 0.0000 | |
| 634 | Q | A | -1.9678 | |
| 635 | N | A | -2.1351 | |
| 636 | L | A | -0.8545 | |
| 637 | Q | A | -1.2666 | |
| 638 | P | A | -1.1066 | |
| 1 | Q | B | -1.5751 | |
| 2 | V | B | 0.0000 | |
| 3 | Q | B | -1.9903 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.8207 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -1.1182 | |
| 8 | G | B | -0.9996 | |
| 9 | G | B | -0.6905 | |
| 10 | G | B | 0.0646 | |
| 11 | L | B | 1.0934 | |
| 12 | V | B | 0.0088 | |
| 13 | Q | B | -1.2965 | |
| 14 | A | B | -1.5539 | |
| 15 | G | B | -1.4067 | |
| 16 | G | B | -0.9261 | |
| 17 | S | B | -0.9928 | |
| 18 | L | B | -0.7156 | |
| 19 | R | B | -1.7625 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.8580 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -1.2411 | |
| 24 | A | B | -1.1380 | |
| 25 | S | B | -1.2798 | |
| 26 | G | B | -0.9767 | |
| 27 | S | B | -0.1681 | |
| 28 | T | B | 0.2330 | |
| 29 | F | B | 1.5597 | |
| 30 | A | B | 0.0000 | |
| 31 | I | B | 0.8611 | |
| 32 | I | B | 0.4280 | |
| 33 | A | B | 0.0000 | |
| 34 | M | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | Y | B | 0.0000 | |
| 38 | R | B | -1.3490 | |
| 39 | Q | B | -1.9031 | |
| 40 | A | B | -1.7698 | |
| 41 | P | B | -1.3147 | |
| 42 | G | B | -1.7853 | |
| 43 | K | B | -3.0136 | |
| 44 | Q | B | -2.9532 | |
| 45 | R | B | -2.4949 | |
| 46 | E | B | -2.2242 | |
| 47 | L | B | -0.9014 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | V | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.0000 | |
| 53 | T | B | -0.2057 | |
| 54 | G | B | -0.0157 | |
| 55 | D | B | -0.3480 | |
| 56 | T | B | -0.1666 | |
| 57 | R | B | 0.0000 | |
| 58 | Y | B | -0.7123 | |
| 59 | A | B | -1.2693 | |
| 60 | D | B | -2.3534 | |
| 61 | S | B | -1.6778 | |
| 62 | V | B | 0.0000 | |
| 63 | K | B | -2.3834 | |
| 64 | G | B | -1.5877 | |
| 65 | R | B | 0.0000 | |
| 66 | F | B | 0.0000 | |
| 67 | T | B | -0.7213 | |
| 68 | I | B | 0.0000 | |
| 69 | S | B | -0.7162 | |
| 70 | R | B | -1.8275 | |
| 71 | D | B | -2.5773 | |
| 72 | N | B | -2.4210 | |
| 73 | A | B | -1.9330 | |
| 74 | K | B | -2.7736 | |
| 75 | N | B | -2.0231 | |
| 76 | T | B | 0.0000 | |
| 77 | V | B | 0.0000 | |
| 78 | Y | B | 0.0000 | |
| 79 | L | B | 0.0000 | |
| 80 | Q | B | -0.9864 | |
| 81 | M | B | 0.0000 | |
| 82 | D | B | -1.4115 | |
| 83 | S | B | -1.2656 | |
| 84 | L | B | 0.0000 | |
| 85 | R | B | -2.5078 | |
| 86 | P | B | -1.9597 | |
| 87 | E | B | -2.3528 | |
| 88 | D | B | 0.0000 | |
| 89 | T | B | -0.9625 | |
| 90 | A | B | 0.0000 | |
| 91 | V | B | -0.6105 | |
| 92 | Y | B | 0.0000 | |
| 93 | Y | B | -0.7034 | |
| 94 | C | B | 0.0000 | |
| 95 | N | B | 0.0000 | |
| 96 | A | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | V | B | 0.0000 | |
| 99 | Q | B | -0.9240 | |
| 100 | V | B | -1.1410 | |
| 101 | R | B | -2.7097 | |
| 102 | D | B | -2.7412 | |
| 103 | Y | B | -1.5013 | |
| 104 | R | B | -1.4953 | |
| 105 | N | B | 0.0000 | |
| 106 | Y | B | -0.4407 | |
| 107 | W | B | -0.3386 | |
| 108 | G | B | -1.0062 | |
| 109 | Q | B | -1.5860 | |
| 110 | G | B | -1.1008 | |
| 111 | T | B | -1.1013 | |
| 112 | Q | B | -1.0179 | |
| 113 | V | B | 0.0000 | |
| 114 | T | B | -0.3151 | |
| 115 | V | B | 0.0000 | |
| 116 | S | B | -0.9330 | |
| 117 | S | B | -0.9004 | |
| 118 | A | B | -0.6327 | |
| 1 | Q | C | -1.5620 | |
| 2 | V | C | -1.3623 | |
| 3 | Q | C | -1.9340 | |
| 4 | L | C | 0.0000 | |
| 5 | Q | C | -1.9148 | |
| 6 | E | C | -1.2892 | |
| 7 | S | C | -1.1957 | |
| 8 | G | C | -1.2530 | |
| 9 | G | C | -0.7603 | |
| 10 | G | C | 0.1266 | |
| 11 | L | C | 1.0909 | |
| 12 | V | C | 0.0921 | |
| 13 | Q | C | -1.1209 | |
| 14 | A | C | -1.0886 | |
| 15 | G | C | -1.2563 | |
| 16 | G | C | -0.8064 | |
| 17 | S | C | -1.2005 | |
| 18 | L | C | -1.0198 | |
| 19 | R | C | -2.3020 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -1.0483 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -1.3969 | |
| 24 | A | C | -1.3747 | |
| 25 | S | C | -1.3055 | |
| 26 | G | C | -0.9027 | |
| 27 | S | C | -0.6469 | |
| 28 | I | C | 0.1009 | |
| 29 | F | C | 0.8789 | |
| 30 | R | C | -0.9936 | |
| 31 | I | C | 0.0000 | |
| 32 | D | C | -0.9859 | |
| 33 | A | C | -0.4413 | |
| 34 | M | C | 0.0000 | |
| 35 | G | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | Y | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -1.8475 | |
| 40 | A | C | -1.7684 | |
| 41 | P | C | -1.3598 | |
| 42 | G | C | -1.7176 | |
| 43 | K | C | -2.9656 | |
| 44 | Q | C | -2.8207 | |
| 45 | R | C | -2.0428 | |
| 46 | E | C | -1.8537 | |
| 47 | L | C | -0.6393 | |
| 48 | V | C | 0.0000 | |
| 49 | A | C | 0.0000 | |
| 50 | H | C | 0.0000 | |
| 51 | S | C | 0.0000 | |
| 52 | T | C | 0.0000 | |
| 53 | S | C | -1.1108 | |
| 54 | G | C | -0.8667 | |
| 55 | G | C | -1.0933 | |
| 56 | S | C | -1.0597 | |
| 57 | T | C | -0.5722 | |
| 58 | D | C | -0.6981 | |
| 59 | Y | C | -1.0923 | |
| 60 | A | C | -1.4307 | |
| 61 | D | C | -2.4760 | |
| 62 | S | C | -1.7576 | |
| 63 | V | C | 0.0000 | |
| 64 | K | C | -2.6464 | |
| 65 | G | C | -1.7465 | |
| 66 | R | C | -1.4941 | |
| 67 | F | C | 0.0000 | |
| 68 | T | C | -1.0606 | |
| 69 | I | C | 0.0000 | |
| 70 | S | C | -0.7751 | |
| 71 | R | C | -1.4337 | |
| 72 | D | C | -2.1503 | |
| 73 | N | C | -2.6606 | |
| 74 | A | C | -1.9551 | |
| 75 | K | C | -2.5369 | |
| 76 | N | C | -2.1741 | |
| 77 | T | C | 0.0000 | |
| 78 | V | C | 0.0000 | |
| 79 | Y | C | 0.0000 | |
| 80 | L | C | 0.0000 | |
| 81 | Q | C | -1.7320 | |
| 82 | M | C | 0.0000 | |
| 83 | N | C | -1.4536 | |
| 84 | S | C | -1.1464 | |
| 85 | L | C | 0.0000 | |
| 86 | K | C | -2.0666 | |
| 87 | P | C | -1.7970 | |
| 88 | E | C | -2.2482 | |
| 89 | D | C | 0.0000 | |
| 90 | T | C | -0.8465 | |
| 91 | A | C | 0.0000 | |
| 92 | V | C | -0.6427 | |
| 93 | Y | C | 0.0000 | |
| 94 | Y | C | -0.5642 | |
| 95 | C | C | 0.0000 | |
| 96 | N | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | D | C | 0.0000 | |
| 99 | V | C | 0.0000 | |
| 100 | R | C | 0.0000 | |
| 101 | T | C | -0.6946 | |
| 102 | R | C | -1.2120 | |
| 103 | W | C | -0.1051 | |
| 104 | Y | C | 0.0000 | |
| 105 | A | C | 0.0000 | |
| 106 | S | C | 0.0000 | |
| 107 | N | C | -0.8787 | |
| 108 | N | C | -0.3248 | |
| 109 | Y | C | -0.1796 | |
| 110 | W | C | -0.1825 | |
| 111 | G | C | -0.9904 | |
| 112 | Q | C | -1.5474 | |
| 113 | G | C | -1.0863 | |
| 114 | T | C | -1.1572 | |
| 115 | Q | C | -1.0784 | |
| 116 | V | C | 0.0000 | |
| 117 | T | C | -0.1990 | |
| 118 | V | C | -0.3956 | |
| 119 | S | C | -0.4250 | |
| 120 | S | C | -0.6768 |
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