| Chain sequence(s) |
A: VCVGSEMEGGLRSRYRETVSEWLTSGKLSILHGMFEQVIEGEKDPAIVAEKAMKDCLACLASKSLELKAGQDRPRQVARTARPSEPPKGWMKKRAVKRGQFLRFQRLFYLDRGKLAGIILDNVESLKCGIPQDEIHDVFKSRWESPGTFKGLGAFRSKGLADNSAFEAMITAKEISKNIQEMNKNSAPGPDRLSLRDIIKIDPHCVQLMEVFNLWLVTGSVPDVVKECRTVLISKSSLPERQMDINNWRPITIGSIILRLFSRILTARLAKACPINPRQKGFIRSAGCAENLKLLQLLIKNAKKEHRPLGVVFIDLAKAFDTVSHHHLIAVLKQKGVDHHIITLITNMYQNTRTRVTMKNEQSDPIGIQIGVKQGDPMSPLLFNLSVDPLLCKLEEEGSGYQHDSKGVTSMAFADDLVLLSGSWEGMQSNIKILEAFCELTGLRTQGEKCHGFYIQPTKDSYTINDCPPWQINGTPLTMIEPGSSEKYLGLRIDPWTGISKPELLMKIRDWLQRIGEAPLKPFQKVDILKGYTIPRLIYLADQAEVKATSLEELDLTIRTTVKEWLHLPPSTCDAILYSSTRDGGLGITRLSGLIPSIQARRLHRIAQSSDDVVRSIVKREGIEKDFEKLWLTAGGDRNKIPSIWDPSAIRVTSEDPGEDELASEWELPTPKTIFPKPCDWRKQEFINWTKLQSQGRGIVNFEKDKISNNWLERYRGIPHRKLLTALQLRANVYPTREFLARGRQESHIKSCRHCQAENESSAHIIGYCPAVQDARIKRHNQLCDLLIAEVKKKDWIVFQEPILKDKQNEIYKPDLVFVKGDQAMVVDVTIRYESKPSSLADAAAEKVKKYCHLKSQIQELTNAKNIKFKGFPVGARGKWYSGNYEVLKALGISTSRQERIARCMSRKALFTSVDIIHIFVSHSRSLVRT
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6c40e69f0e00592/tmp/folded.pdb (00:00:05)
[INFO] Main: Simulation completed successfully. (00:04:31)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 332 | V | A | 2.6820 | |
| 333 | C | A | 1.7938 | |
| 334 | V | A | 2.0278 | |
| 335 | G | A | -0.3040 | |
| 336 | S | A | -1.0766 | |
| 337 | E | A | -2.4779 | |
| 338 | M | A | -2.2377 | |
| 339 | E | A | -2.7929 | |
| 340 | G | A | -2.2914 | |
| 341 | G | A | -2.4094 | |
| 342 | L | A | 0.0000 | |
| 343 | R | A | -2.4326 | |
| 344 | S | A | -2.3299 | |
| 345 | R | A | -2.6775 | |
| 346 | Y | A | 0.0000 | |
| 347 | R | A | -2.3941 | |
| 348 | E | A | -3.0816 | |
| 349 | T | A | -2.1719 | |
| 350 | V | A | 0.0000 | |
| 351 | S | A | -1.9495 | |
| 352 | E | A | -2.7120 | |
| 353 | W | A | -1.8737 | |
| 354 | L | A | -1.4333 | |
| 355 | T | A | -1.1229 | |
| 356 | S | A | -1.4180 | |
| 357 | G | A | -1.6714 | |
| 358 | K | A | -2.0679 | |
| 359 | L | A | 0.0000 | |
| 360 | S | A | 0.1657 | |
| 361 | I | A | 1.5387 | |
| 362 | L | A | 0.0000 | |
| 363 | H | A | -0.4393 | |
| 364 | G | A | -0.5043 | |
| 365 | M | A | -0.5722 | |
| 366 | F | A | 0.0000 | |
| 367 | E | A | -1.7583 | |
| 368 | Q | A | -2.4598 | |
| 369 | V | A | 0.0000 | |
| 370 | I | A | -1.7044 | |
| 371 | E | A | -2.8804 | |
| 372 | G | A | -2.9783 | |
| 373 | E | A | -3.6399 | |
| 374 | K | A | -2.9033 | |
| 375 | D | A | -2.1652 | |
| 376 | P | A | -1.1117 | |
| 377 | A | A | -0.2952 | |
| 378 | I | A | 0.5058 | |
| 379 | V | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | E | A | -1.4593 | |
| 382 | K | A | -2.4787 | |
| 383 | A | A | 0.0000 | |
| 384 | M | A | 0.0000 | |
| 385 | K | A | -2.9848 | |
| 386 | D | A | -2.8124 | |
| 387 | C | A | -1.1857 | |
| 388 | L | A | -1.0246 | |
| 389 | A | A | -0.9114 | |
| 390 | C | A | -0.3537 | |
| 391 | L | A | 0.0000 | |
| 392 | A | A | -0.5867 | |
| 393 | S | A | -0.1983 | |
| 394 | K | A | -0.9294 | |
| 395 | S | A | 0.0000 | |
| 396 | L | A | 0.0544 | |
| 397 | E | A | -1.4590 | |
| 398 | L | A | -1.0126 | |
| 399 | K | A | -1.6764 | |
| 400 | A | A | -1.8156 | |
| 401 | G | A | -2.1072 | |
| 402 | Q | A | -3.0299 | |
| 403 | D | A | -3.6930 | |
| 404 | R | A | -4.0628 | |
| 405 | P | A | -2.8281 | |
| 406 | R | A | -2.8238 | |
| 407 | Q | A | -1.9096 | |
| 408 | V | A | 0.1032 | |
| 409 | A | A | -0.6224 | |
| 410 | R | A | -1.7974 | |
| 411 | T | A | -1.1976 | |
| 412 | A | A | -1.5070 | |
| 413 | R | A | -2.5532 | |
| 414 | P | A | -1.7882 | |
| 415 | S | A | -1.8524 | |
| 416 | E | A | -2.6498 | |
| 417 | P | A | -1.9576 | |
| 418 | P | A | -2.2361 | |
| 419 | K | A | -2.3942 | |
| 420 | G | A | -1.5801 | |
| 421 | W | A | -0.6786 | |
| 422 | M | A | -1.4059 | |
| 423 | K | A | -2.9789 | |
| 424 | K | A | -3.2340 | |
| 425 | R | A | -3.2986 | |
| 426 | A | A | -2.1668 | |
| 427 | V | A | -1.2823 | |
| 428 | K | A | -3.1594 | |
| 429 | R | A | -3.0002 | |
| 430 | G | A | -1.6545 | |
| 431 | Q | A | -1.7605 | |
| 432 | F | A | -0.7031 | |
| 433 | L | A | -0.2298 | |
| 434 | R | A | -1.8516 | |
| 435 | F | A | -0.7924 | |
| 436 | Q | A | -0.5616 | |
| 437 | R | A | -1.4492 | |
| 438 | L | A | -0.7493 | |
| 439 | F | A | 0.0000 | |
| 440 | Y | A | 0.1994 | |
| 441 | L | A | 0.6010 | |
| 442 | D | A | -1.0587 | |
| 443 | R | A | -1.3773 | |
| 444 | G | A | -1.1224 | |
| 445 | K | A | -1.3000 | |
| 446 | L | A | 0.0000 | |
| 447 | A | A | 0.0000 | |
| 448 | G | A | -1.1061 | |
| 449 | I | A | -1.0860 | |
| 450 | I | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | D | A | -1.7646 | |
| 453 | N | A | -1.7357 | |
| 454 | V | A | -0.5239 | |
| 455 | E | A | -1.1055 | |
| 456 | S | A | -0.2595 | |
| 457 | L | A | 0.2474 | |
| 458 | K | A | -1.3842 | |
| 459 | C | A | 0.0000 | |
| 460 | G | A | -0.9092 | |
| 461 | I | A | 0.0000 | |
| 462 | P | A | -1.4683 | |
| 463 | Q | A | -2.8415 | |
| 464 | D | A | -3.5203 | |
| 465 | E | A | -3.4113 | |
| 466 | I | A | 0.0000 | |
| 467 | H | A | -3.1187 | |
| 468 | D | A | -3.3703 | |
| 469 | V | A | -1.7637 | |
| 470 | F | A | 0.0000 | |
| 471 | K | A | -2.3829 | |
| 472 | S | A | -1.4085 | |
| 473 | R | A | -1.3972 | |
| 474 | W | A | 0.0000 | |
| 475 | E | A | -1.8373 | |
| 476 | S | A | -1.2386 | |
| 477 | P | A | -1.1394 | |
| 478 | G | A | -0.9782 | |
| 479 | T | A | -0.8668 | |
| 480 | F | A | -1.0840 | |
| 481 | K | A | -2.0215 | |
| 482 | G | A | -1.2371 | |
| 483 | L | A | 0.0000 | |
| 484 | G | A | -0.9738 | |
| 485 | A | A | -0.6791 | |
| 486 | F | A | 0.0000 | |
| 487 | R | A | -2.4692 | |
| 488 | S | A | -1.6522 | |
| 489 | K | A | -1.9709 | |
| 490 | G | A | -0.9115 | |
| 491 | L | A | 0.5452 | |
| 492 | A | A | -0.6870 | |
| 493 | D | A | -1.3415 | |
| 494 | N | A | 0.0000 | |
| 495 | S | A | -0.8893 | |
| 496 | A | A | 0.0000 | |
| 497 | F | A | 0.0000 | |
| 498 | E | A | -0.9233 | |
| 499 | A | A | -0.5604 | |
| 500 | M | A | 0.0000 | |
| 501 | I | A | 0.0000 | |
| 502 | T | A | -0.5069 | |
| 503 | A | A | -0.9516 | |
| 504 | K | A | -1.8427 | |
| 505 | E | A | 0.0000 | |
| 506 | I | A | 0.0000 | |
| 507 | S | A | -1.3352 | |
| 508 | K | A | -1.3629 | |
| 509 | N | A | 0.0000 | |
| 510 | I | A | 0.0000 | |
| 511 | Q | A | -2.1641 | |
| 512 | E | A | -1.9735 | |
| 513 | M | A | -1.9830 | |
| 514 | N | A | -2.7249 | |
| 515 | K | A | -3.3336 | |
| 516 | N | A | -2.6330 | |
| 517 | S | A | -1.6559 | |
| 518 | A | A | -0.9433 | |
| 519 | P | A | -1.0532 | |
| 520 | G | A | 0.0000 | |
| 521 | P | A | -1.4801 | |
| 522 | D | A | -1.7935 | |
| 523 | R | A | -2.2772 | |
| 524 | L | A | 0.0000 | |
| 525 | S | A | -1.8462 | |
| 526 | L | A | 0.0000 | |
| 527 | R | A | -2.6731 | |
| 528 | D | A | -1.8156 | |
| 529 | I | A | 0.0000 | |
| 530 | I | A | -1.0705 | |
| 531 | K | A | -2.1152 | |
| 532 | I | A | 0.0000 | |
| 533 | D | A | 0.0000 | |
| 534 | P | A | -1.1056 | |
| 535 | H | A | -1.2585 | |
| 536 | C | A | 0.0000 | |
| 537 | V | A | 0.3222 | |
| 538 | Q | A | 0.4116 | |
| 539 | L | A | 0.0000 | |
| 540 | M | A | -0.0037 | |
| 541 | E | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | F | A | 0.0000 | |
| 544 | N | A | 0.0000 | |
| 545 | L | A | 0.0000 | |
| 546 | W | A | 0.0000 | |
| 547 | L | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | T | A | -0.2687 | |
| 550 | G | A | 0.0000 | |
| 551 | S | A | 0.0000 | |
| 552 | V | A | 0.0000 | |
| 553 | P | A | 0.0000 | |
| 554 | D | A | -1.4457 | |
| 555 | V | A | -0.6213 | |
| 556 | V | A | 0.0000 | |
| 557 | K | A | 0.0000 | |
| 558 | E | A | -2.5706 | |
| 559 | C | A | 0.0000 | |
| 560 | R | A | -1.3085 | |
| 561 | T | A | 0.0000 | |
| 562 | V | A | 0.8820 | |
| 563 | L | A | 0.6909 | |
| 564 | I | A | 1.2660 | |
| 565 | S | A | -0.5977 | |
| 566 | K | A | -1.7346 | |
| 567 | S | A | -0.8719 | |
| 568 | S | A | -0.5430 | |
| 569 | L | A | 0.1636 | |
| 570 | P | A | -0.7576 | |
| 571 | E | A | -2.3434 | |
| 572 | R | A | -2.7587 | |
| 573 | Q | A | -1.6069 | |
| 574 | M | A | -0.7028 | |
| 575 | D | A | -1.6831 | |
| 576 | I | A | -1.1007 | |
| 577 | N | A | -1.7825 | |
| 578 | N | A | 0.0000 | |
| 579 | W | A | 0.0000 | |
| 580 | R | A | -0.9100 | |
| 581 | P | A | 0.0000 | |
| 582 | I | A | 0.6135 | |
| 583 | T | A | 0.0000 | |
| 584 | I | A | -0.1725 | |
| 585 | G | A | 0.0000 | |
| 586 | S | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | I | A | 0.0000 | |
| 589 | L | A | 0.0000 | |
| 590 | R | A | -0.3703 | |
| 591 | L | A | 0.0000 | |
| 592 | F | A | 0.0000 | |
| 593 | S | A | 0.0000 | |
| 594 | R | A | -0.5664 | |
| 595 | I | A | 0.0000 | |
| 596 | L | A | 0.0000 | |
| 597 | T | A | -0.3514 | |
| 598 | A | A | -0.3571 | |
| 599 | R | A | 0.0000 | |
| 600 | L | A | 0.0000 | |
| 601 | A | A | -0.5499 | |
| 602 | K | A | -1.3914 | |
| 603 | A | A | 0.0000 | |
| 604 | C | A | 0.0000 | |
| 605 | P | A | -0.6162 | |
| 606 | I | A | -0.1693 | |
| 607 | N | A | 0.0000 | |
| 608 | P | A | -0.2689 | |
| 609 | R | A | 0.0000 | |
| 610 | Q | A | 0.0000 | |
| 611 | K | A | 0.0000 | |
| 612 | G | A | 0.0000 | |
| 613 | F | A | 1.7913 | |
| 614 | I | A | 0.7157 | |
| 615 | R | A | -1.3924 | |
| 616 | S | A | -0.6643 | |
| 617 | A | A | -0.3078 | |
| 618 | G | A | 0.0000 | |
| 619 | C | A | 0.4429 | |
| 620 | A | A | 0.0000 | |
| 621 | E | A | 0.0000 | |
| 622 | N | A | 0.0000 | |
| 623 | L | A | 0.0000 | |
| 624 | K | A | -0.2215 | |
| 625 | L | A | 0.0000 | |
| 626 | L | A | 0.0000 | |
| 627 | Q | A | -0.7517 | |
| 628 | L | A | 0.0000 | |
| 629 | L | A | 0.0000 | |
| 630 | I | A | 0.0000 | |
| 631 | K | A | -2.6055 | |
| 632 | N | A | 0.0000 | |
| 633 | A | A | 0.0000 | |
| 634 | K | A | -2.3534 | |
| 635 | K | A | -3.1815 | |
| 636 | E | A | -2.8969 | |
| 637 | H | A | -3.0811 | |
| 638 | R | A | -2.1293 | |
| 639 | P | A | -0.9618 | |
| 640 | L | A | 0.0000 | |
| 641 | G | A | 0.0000 | |
| 642 | V | A | 0.0000 | |
| 643 | V | A | 0.0000 | |
| 644 | F | A | 0.0000 | |
| 645 | I | A | 0.0000 | |
| 646 | D | A | -1.6915 | |
| 647 | L | A | 0.0000 | |
| 648 | A | A | -1.6270 | |
| 649 | K | A | -1.4145 | |
| 650 | A | A | 0.0000 | |
| 651 | F | A | -0.2209 | |
| 652 | D | A | -0.5484 | |
| 653 | T | A | -0.8485 | |
| 654 | V | A | 0.0000 | |
| 655 | S | A | 0.0000 | |
| 656 | H | A | -0.9125 | |
| 657 | H | A | -1.1625 | |
| 658 | H | A | 0.0000 | |
| 659 | L | A | 0.0000 | |
| 660 | I | A | -0.5659 | |
| 661 | A | A | -0.8043 | |
| 662 | V | A | 0.0000 | |
| 663 | L | A | 0.0000 | |
| 664 | K | A | -1.6256 | |
| 665 | Q | A | -1.2608 | |
| 666 | K | A | 0.0000 | |
| 667 | G | A | -0.4178 | |
| 668 | V | A | 0.0000 | |
| 669 | D | A | -1.5740 | |
| 670 | H | A | -1.8905 | |
| 671 | H | A | 0.0000 | |
| 672 | I | A | 0.0000 | |
| 673 | I | A | 0.0000 | |
| 674 | T | A | -0.3620 | |
| 675 | L | A | 0.0000 | |
| 676 | I | A | 0.0000 | |
| 677 | T | A | -0.4888 | |
| 678 | N | A | -0.9130 | |
| 679 | M | A | 0.0000 | |
| 680 | Y | A | 0.0000 | |
| 681 | Q | A | -2.3738 | |
| 682 | N | A | -2.8048 | |
| 683 | T | A | 0.0000 | |
| 684 | R | A | -3.5586 | |
| 685 | T | A | 0.0000 | |
| 686 | R | A | -2.7077 | |
| 687 | V | A | 0.0000 | |
| 688 | T | A | -2.0414 | |
| 689 | M | A | -2.3884 | |
| 690 | K | A | -3.3559 | |
| 691 | N | A | -3.2098 | |
| 692 | E | A | -3.8203 | |
| 693 | Q | A | -3.3935 | |
| 694 | S | A | 0.0000 | |
| 695 | D | A | -3.3292 | |
| 696 | P | A | -2.4175 | |
| 697 | I | A | 0.0000 | |
| 698 | G | A | -2.4801 | |
| 699 | I | A | 0.0000 | |
| 700 | Q | A | -2.3711 | |
| 701 | I | A | 0.0000 | |
| 702 | G | A | 0.0000 | |
| 703 | V | A | 0.0000 | |
| 704 | K | A | 0.0000 | |
| 705 | Q | A | -0.3045 | |
| 706 | G | A | -0.3989 | |
| 707 | D | A | 0.0000 | |
| 708 | P | A | -0.4367 | |
| 709 | M | A | 0.0000 | |
| 710 | S | A | 0.0000 | |
| 711 | P | A | 0.3775 | |
| 712 | L | A | 0.0000 | |
| 713 | L | A | 0.0000 | |
| 714 | F | A | 0.0000 | |
| 715 | N | A | 0.0000 | |
| 716 | L | A | 0.0000 | |
| 717 | S | A | 0.0000 | |
| 718 | V | A | 0.0000 | |
| 719 | D | A | 0.0000 | |
| 720 | P | A | 0.0000 | |
| 721 | L | A | 0.0000 | |
| 722 | L | A | 0.0000 | |
| 723 | C | A | 0.0000 | |
| 724 | K | A | -2.2206 | |
| 725 | L | A | 0.0000 | |
| 726 | E | A | -2.3664 | |
| 727 | E | A | -3.2198 | |
| 728 | E | A | -3.0397 | |
| 729 | G | A | -2.0635 | |
| 730 | S | A | -1.4754 | |
| 731 | G | A | -1.2003 | |
| 732 | Y | A | 0.0000 | |
| 733 | Q | A | -1.9582 | |
| 734 | H | A | 0.0000 | |
| 735 | D | A | -2.1326 | |
| 736 | S | A | -1.3691 | |
| 737 | K | A | -1.5617 | |
| 738 | G | A | -1.3570 | |
| 739 | V | A | 0.0000 | |
| 740 | T | A | 0.0000 | |
| 741 | S | A | 0.0000 | |
| 742 | M | A | 0.0000 | |
| 743 | A | A | 0.0000 | |
| 744 | F | A | 0.5096 | |
| 745 | A | A | 0.0000 | |
| 746 | D | A | -0.7529 | |
| 747 | D | A | -0.7021 | |
| 748 | L | A | 0.0000 | |
| 749 | V | A | 0.0000 | |
| 750 | L | A | 0.0000 | |
| 751 | L | A | 0.0000 | |
| 752 | S | A | 0.0000 | |
| 753 | G | A | -0.9109 | |
| 754 | S | A | -0.8260 | |
| 755 | W | A | -0.8501 | |
| 756 | E | A | -1.8505 | |
| 757 | G | A | 0.0000 | |
| 758 | M | A | 0.0000 | |
| 759 | Q | A | -1.4728 | |
| 760 | S | A | -1.5181 | |
| 761 | N | A | 0.0000 | |
| 762 | I | A | 0.0000 | |
| 763 | K | A | -2.0994 | |
| 764 | I | A | -1.0878 | |
| 765 | L | A | 0.0000 | |
| 766 | E | A | -1.9054 | |
| 767 | A | A | -1.2752 | |
| 768 | F | A | 0.0000 | |
| 769 | C | A | 0.0000 | |
| 770 | E | A | -2.4628 | |
| 771 | L | A | -1.2581 | |
| 772 | T | A | 0.0000 | |
| 773 | G | A | -1.3064 | |
| 774 | L | A | 0.0000 | |
| 775 | R | A | -2.6611 | |
| 776 | T | A | -2.1061 | |
| 777 | Q | A | -2.1949 | |
| 778 | G | A | -2.4800 | |
| 779 | E | A | -2.8732 | |
| 780 | K | A | -2.8668 | |
| 781 | C | A | 0.0000 | |
| 782 | H | A | -1.1947 | |
| 783 | G | A | 0.0000 | |
| 784 | F | A | 0.0000 | |
| 785 | Y | A | 0.0000 | |
| 786 | I | A | 0.0000 | |
| 787 | Q | A | -1.1376 | |
| 788 | P | A | -1.8230 | |
| 789 | T | A | -1.7791 | |
| 790 | K | A | -2.6966 | |
| 791 | D | A | -2.7478 | |
| 792 | S | A | -1.9738 | |
| 793 | Y | A | -1.2075 | |
| 794 | T | A | -0.4256 | |
| 795 | I | A | -0.6583 | |
| 796 | N | A | -1.3991 | |
| 797 | D | A | -1.8913 | |
| 798 | C | A | -0.9321 | |
| 799 | P | A | -0.7421 | |
| 800 | P | A | -0.7322 | |
| 801 | W | A | 0.0000 | |
| 802 | Q | A | -1.7509 | |
| 803 | I | A | 0.0000 | |
| 804 | N | A | -2.5254 | |
| 805 | G | A | -1.4411 | |
| 806 | T | A | -1.1988 | |
| 807 | P | A | -1.0780 | |
| 808 | L | A | 0.0000 | |
| 809 | T | A | -1.0505 | |
| 810 | M | A | -0.5804 | |
| 811 | I | A | 0.0000 | |
| 812 | E | A | -1.9364 | |
| 813 | P | A | -0.9359 | |
| 814 | G | A | -0.8648 | |
| 815 | S | A | -1.2471 | |
| 816 | S | A | -1.6721 | |
| 817 | E | A | -2.4418 | |
| 818 | K | A | -2.9284 | |
| 819 | Y | A | 0.0000 | |
| 820 | L | A | -0.6362 | |
| 821 | G | A | -1.0203 | |
| 822 | L | A | 0.0000 | |
| 823 | R | A | -3.0330 | |
| 824 | I | A | 0.0000 | |
| 825 | D | A | 0.0000 | |
| 826 | P | A | 0.0000 | |
| 827 | W | A | 0.5020 | |
| 828 | T | A | -0.1199 | |
| 829 | G | A | 0.0000 | |
| 830 | I | A | -1.0757 | |
| 831 | S | A | -1.8141 | |
| 832 | K | A | -2.5231 | |
| 833 | P | A | -1.9081 | |
| 834 | E | A | -2.0262 | |
| 835 | L | A | 0.0000 | |
| 836 | L | A | -0.8321 | |
| 837 | M | A | -0.6112 | |
| 838 | K | A | -1.7253 | |
| 839 | I | A | 0.0000 | |
| 840 | R | A | -2.4900 | |
| 841 | D | A | -2.3096 | |
| 842 | W | A | 0.0000 | |
| 843 | L | A | 0.0000 | |
| 844 | Q | A | -2.9232 | |
| 845 | R | A | -2.6347 | |
| 846 | I | A | 0.0000 | |
| 847 | G | A | -2.0600 | |
| 848 | E | A | -2.4439 | |
| 849 | A | A | -1.3817 | |
| 850 | P | A | -1.1492 | |
| 851 | L | A | 0.0000 | |
| 852 | K | A | -0.9267 | |
| 853 | P | A | -1.0017 | |
| 854 | F | A | 0.0000 | |
| 855 | Q | A | 0.0000 | |
| 856 | K | A | -0.7917 | |
| 857 | V | A | 0.0000 | |
| 858 | D | A | -0.9941 | |
| 859 | I | A | 0.0000 | |
| 860 | L | A | 0.0000 | |
| 861 | K | A | -0.7075 | |
| 862 | G | A | -0.7997 | |
| 863 | Y | A | -0.3683 | |
| 864 | T | A | 0.0000 | |
| 865 | I | A | 0.0000 | |
| 866 | P | A | -0.1856 | |
| 867 | R | A | -0.2735 | |
| 868 | L | A | 0.0000 | |
| 869 | I | A | 0.5234 | |
| 870 | Y | A | 0.8073 | |
| 871 | L | A | -0.0566 | |
| 872 | A | A | 0.0000 | |
| 873 | D | A | 0.0000 | |
| 874 | Q | A | 0.0000 | |
| 875 | A | A | 0.0000 | |
| 876 | E | A | -1.3996 | |
| 877 | V | A | -1.3789 | |
| 878 | K | A | -2.0825 | |
| 879 | A | A | -1.5713 | |
| 880 | T | A | -1.6118 | |
| 881 | S | A | -1.4692 | |
| 882 | L | A | 0.0000 | |
| 883 | E | A | -2.4536 | |
| 884 | E | A | -1.8271 | |
| 885 | L | A | 0.0000 | |
| 886 | D | A | 0.0000 | |
| 887 | L | A | 0.2817 | |
| 888 | T | A | -0.2866 | |
| 889 | I | A | 0.0000 | |
| 890 | R | A | -0.3184 | |
| 891 | T | A | -0.3135 | |
| 892 | T | A | -1.0131 | |
| 893 | V | A | 0.0000 | |
| 894 | K | A | 0.0000 | |
| 895 | E | A | -2.2337 | |
| 896 | W | A | -1.2410 | |
| 897 | L | A | 0.0000 | |
| 898 | H | A | -1.6216 | |
| 899 | L | A | 0.0000 | |
| 900 | P | A | -0.8267 | |
| 901 | P | A | -0.8836 | |
| 902 | S | A | -0.4262 | |
| 903 | T | A | 0.0000 | |
| 904 | C | A | -0.3454 | |
| 905 | D | A | -0.6116 | |
| 906 | A | A | 0.0000 | |
| 907 | I | A | 0.0000 | |
| 908 | L | A | 0.0000 | |
| 909 | Y | A | 0.0000 | |
| 910 | S | A | 0.0000 | |
| 911 | S | A | -1.4036 | |
| 912 | T | A | -2.0328 | |
| 913 | R | A | -3.5961 | |
| 914 | D | A | -2.3610 | |
| 915 | G | A | 0.0000 | |
| 916 | G | A | 0.0000 | |
| 917 | L | A | 0.0000 | |
| 918 | G | A | -0.8105 | |
| 919 | I | A | 0.0000 | |
| 920 | T | A | -0.3825 | |
| 921 | R | A | -0.6945 | |
| 922 | L | A | 0.0000 | |
| 923 | S | A | -1.0853 | |
| 924 | G | A | -0.6384 | |
| 925 | L | A | -0.2048 | |
| 926 | I | A | 0.0000 | |
| 927 | P | A | 0.0000 | |
| 928 | S | A | 0.0000 | |
| 929 | I | A | 0.0414 | |
| 930 | Q | A | 0.0000 | |
| 931 | A | A | 0.0000 | |
| 932 | R | A | -0.8098 | |
| 933 | R | A | -0.8266 | |
| 934 | L | A | 0.0000 | |
| 935 | H | A | 0.0000 | |
| 936 | R | A | -1.0671 | |
| 937 | I | A | 0.0000 | |
| 938 | A | A | 0.0000 | |
| 939 | Q | A | -1.1587 | |
| 940 | S | A | 0.0000 | |
| 941 | S | A | -1.0612 | |
| 942 | D | A | 0.0000 | |
| 943 | D | A | -1.5988 | |
| 944 | V | A | 0.0000 | |
| 945 | V | A | 0.0000 | |
| 946 | R | A | -2.1476 | |
| 947 | S | A | -2.1629 | |
| 948 | I | A | 0.0000 | |
| 949 | V | A | 0.0000 | |
| 950 | K | A | -3.1695 | |
| 951 | R | A | -3.2801 | |
| 952 | E | A | -2.4672 | |
| 953 | G | A | -2.5052 | |
| 954 | I | A | 0.0000 | |
| 955 | E | A | -3.2112 | |
| 956 | K | A | -3.5532 | |
| 957 | D | A | -3.2728 | |
| 958 | F | A | 0.0000 | |
| 959 | E | A | -2.8192 | |
| 960 | K | A | -2.9179 | |
| 961 | L | A | -1.3534 | |
| 962 | W | A | 0.0000 | |
| 963 | L | A | -0.9142 | |
| 964 | T | A | -0.4431 | |
| 965 | A | A | 0.0000 | |
| 966 | G | A | -1.1716 | |
| 967 | G | A | -2.1510 | |
| 968 | D | A | -2.8460 | |
| 969 | R | A | -3.6332 | |
| 970 | N | A | -3.2355 | |
| 971 | K | A | -3.0267 | |
| 972 | I | A | -2.0275 | |
| 973 | P | A | -0.9630 | |
| 974 | S | A | -0.7380 | |
| 975 | I | A | 0.0000 | |
| 976 | W | A | -0.9870 | |
| 977 | D | A | -1.0521 | |
| 978 | P | A | -0.9589 | |
| 979 | S | A | -0.8390 | |
| 980 | A | A | -0.5013 | |
| 981 | I | A | -0.5637 | |
| 982 | R | A | -1.7859 | |
| 983 | V | A | -1.3661 | |
| 984 | T | A | -1.6040 | |
| 985 | S | A | -2.1152 | |
| 986 | E | A | -3.1019 | |
| 987 | D | A | -3.5562 | |
| 988 | P | A | -3.0220 | |
| 989 | G | A | -3.0223 | |
| 990 | E | A | -3.5366 | |
| 991 | D | A | -3.1380 | |
| 992 | E | A | -2.8677 | |
| 993 | L | A | -0.5579 | |
| 994 | A | A | -1.2240 | |
| 995 | S | A | -1.1250 | |
| 996 | E | A | -1.5059 | |
| 997 | W | A | -1.0027 | |
| 998 | E | A | -0.9268 | |
| 999 | L | A | -0.7012 | |
| 1000 | P | A | -0.8271 | |
| 1001 | T | A | -1.0512 | |
| 1002 | P | A | -1.3226 | |
| 1003 | K | A | -1.7490 | |
| 1004 | T | A | -0.6508 | |
| 1005 | I | A | 0.5350 | |
| 1006 | F | A | 0.0000 | |
| 1007 | P | A | -0.8825 | |
| 1008 | K | A | -1.7864 | |
| 1009 | P | A | -1.7065 | |
| 1010 | C | A | -1.7077 | |
| 1011 | D | A | -2.6872 | |
| 1012 | W | A | -1.6413 | |
| 1013 | R | A | -1.8337 | |
| 1014 | K | A | -2.2332 | |
| 1015 | Q | A | -1.9314 | |
| 1016 | E | A | 0.0000 | |
| 1017 | F | A | 0.0000 | |
| 1018 | I | A | -0.5423 | |
| 1019 | N | A | -1.3073 | |
| 1020 | W | A | 0.0000 | |
| 1021 | T | A | -1.0317 | |
| 1022 | K | A | -1.9312 | |
| 1023 | L | A | -1.2107 | |
| 1024 | Q | A | -1.8764 | |
| 1025 | S | A | -1.2758 | |
| 1026 | Q | A | -1.1257 | |
| 1027 | G | A | 0.0000 | |
| 1028 | R | A | -2.4886 | |
| 1029 | G | A | 0.0000 | |
| 1030 | I | A | 0.0000 | |
| 1031 | V | A | -0.2992 | |
| 1032 | N | A | -0.8098 | |
| 1033 | F | A | 0.0000 | |
| 1034 | E | A | -2.1399 | |
| 1035 | K | A | -3.2411 | |
| 1036 | D | A | -2.6229 | |
| 1037 | K | A | -3.1262 | |
| 1038 | I | A | -1.8744 | |
| 1039 | S | A | 0.0000 | |
| 1040 | N | A | 0.0000 | |
| 1041 | N | A | -2.1297 | |
| 1042 | W | A | 0.0000 | |
| 1043 | L | A | 0.0000 | |
| 1044 | E | A | -3.2676 | |
| 1045 | R | A | -3.3534 | |
| 1046 | Y | A | 0.0000 | |
| 1047 | R | A | -2.7715 | |
| 1048 | G | A | -1.5663 | |
| 1049 | I | A | -1.2934 | |
| 1050 | P | A | -1.2040 | |
| 1051 | H | A | -1.5595 | |
| 1052 | R | A | -2.1376 | |
| 1053 | K | A | -1.3221 | |
| 1054 | L | A | 0.0000 | |
| 1055 | L | A | -0.8106 | |
| 1056 | T | A | 0.0000 | |
| 1057 | A | A | 0.0000 | |
| 1058 | L | A | 0.0000 | |
| 1059 | Q | A | -0.3032 | |
| 1060 | L | A | 0.0000 | |
| 1061 | R | A | 0.0000 | |
| 1062 | A | A | 0.0000 | |
| 1063 | N | A | -0.5474 | |
| 1064 | V | A | 0.0000 | |
| 1065 | Y | A | -0.0494 | |
| 1066 | P | A | 0.0209 | |
| 1067 | T | A | 0.0000 | |
| 1068 | R | A | -0.5471 | |
| 1069 | E | A | -0.9195 | |
| 1070 | F | A | -0.4271 | |
| 1071 | L | A | 0.0204 | |
| 1072 | A | A | 0.0000 | |
| 1073 | R | A | -2.1213 | |
| 1074 | G | A | -2.3146 | |
| 1075 | R | A | -3.1943 | |
| 1076 | Q | A | -3.2201 | |
| 1077 | E | A | -2.8397 | |
| 1078 | S | A | -1.6276 | |
| 1079 | H | A | -1.3164 | |
| 1080 | I | A | 0.2187 | |
| 1081 | K | A | -1.2086 | |
| 1082 | S | A | -1.5427 | |
| 1083 | C | A | 0.0000 | |
| 1084 | R | A | -1.1088 | |
| 1085 | H | A | -0.8392 | |
| 1086 | C | A | -1.1081 | |
| 1087 | Q | A | -1.8694 | |
| 1088 | A | A | -1.7581 | |
| 1089 | E | A | -2.5327 | |
| 1090 | N | A | -2.0044 | |
| 1091 | E | A | 0.0000 | |
| 1092 | S | A | -0.6542 | |
| 1093 | S | A | 0.0000 | |
| 1094 | A | A | 0.0058 | |
| 1095 | H | A | -0.0167 | |
| 1096 | I | A | 0.0000 | |
| 1097 | I | A | 0.0000 | |
| 1098 | G | A | 0.1889 | |
| 1099 | Y | A | 0.8825 | |
| 1100 | C | A | 0.0000 | |
| 1101 | P | A | -0.7479 | |
| 1102 | A | A | -0.6633 | |
| 1103 | V | A | 0.0000 | |
| 1104 | Q | A | -1.7413 | |
| 1105 | D | A | -2.3426 | |
| 1106 | A | A | -1.5271 | |
| 1107 | R | A | -1.0948 | |
| 1108 | I | A | -0.6332 | |
| 1109 | K | A | -2.0718 | |
| 1110 | R | A | 0.0000 | |
| 1111 | H | A | -1.1487 | |
| 1112 | N | A | -1.6505 | |
| 1113 | Q | A | -1.5848 | |
| 1114 | L | A | 0.0000 | |
| 1115 | C | A | 0.0000 | |
| 1116 | D | A | -1.9880 | |
| 1117 | L | A | -0.6856 | |
| 1118 | L | A | 0.0000 | |
| 1119 | I | A | 0.0000 | |
| 1120 | A | A | -1.3782 | |
| 1121 | E | A | -1.8689 | |
| 1122 | V | A | 0.0000 | |
| 1123 | K | A | -2.8720 | |
| 1124 | K | A | -3.4212 | |
| 1125 | K | A | -2.8661 | |
| 1126 | D | A | -2.9546 | |
| 1127 | W | A | 0.0000 | |
| 1128 | I | A | 0.9868 | |
| 1129 | V | A | 0.4711 | |
| 1130 | F | A | 0.4101 | |
| 1131 | Q | A | -1.3499 | |
| 1132 | E | A | -1.5656 | |
| 1133 | P | A | -0.2388 | |
| 1134 | I | A | 1.2047 | |
| 1135 | L | A | 0.0000 | |
| 1136 | K | A | -2.3013 | |
| 1137 | D | A | -2.8603 | |
| 1138 | K | A | -3.3959 | |
| 1139 | Q | A | -3.2905 | |
| 1140 | N | A | -3.3337 | |
| 1141 | E | A | -2.6418 | |
| 1142 | I | A | 0.0857 | |
| 1143 | Y | A | -0.2516 | |
| 1144 | K | A | -0.8013 | |
| 1145 | P | A | 0.0000 | |
| 1146 | D | A | -1.1136 | |
| 1147 | L | A | 0.0000 | |
| 1148 | V | A | 0.0000 | |
| 1149 | F | A | 0.0000 | |
| 1150 | V | A | 0.0000 | |
| 1151 | K | A | -1.8508 | |
| 1152 | G | A | -2.5623 | |
| 1153 | D | A | -3.8825 | |
| 1154 | Q | A | -3.5032 | |
| 1155 | A | A | 0.0000 | |
| 1156 | M | A | 0.0000 | |
| 1157 | V | A | 0.0000 | |
| 1158 | V | A | 0.0000 | |
| 1159 | D | A | 0.0000 | |
| 1160 | V | A | 0.0000 | |
| 1161 | T | A | -0.1213 | |
| 1162 | I | A | -0.1206 | |
| 1163 | R | A | -0.3269 | |
| 1164 | Y | A | -0.2916 | |
| 1165 | E | A | 0.0000 | |
| 1166 | S | A | -1.3975 | |
| 1167 | K | A | -2.2380 | |
| 1168 | P | A | -1.3211 | |
| 1169 | S | A | -1.3082 | |
| 1170 | S | A | -1.3972 | |
| 1171 | L | A | 0.0000 | |
| 1172 | A | A | -1.2694 | |
| 1173 | D | A | -2.2935 | |
| 1174 | A | A | 0.0000 | |
| 1175 | A | A | -1.3284 | |
| 1176 | A | A | -1.7812 | |
| 1177 | E | A | -2.7395 | |
| 1178 | K | A | -1.7991 | |
| 1179 | V | A | -1.5560 | |
| 1180 | K | A | -2.4920 | |
| 1181 | K | A | -2.0614 | |
| 1182 | Y | A | 0.0000 | |
| 1183 | C | A | -1.1631 | |
| 1184 | H | A | -1.5772 | |
| 1185 | L | A | 0.0000 | |
| 1186 | K | A | -2.5203 | |
| 1187 | S | A | -2.1391 | |
| 1188 | Q | A | -1.9351 | |
| 1189 | I | A | 0.0000 | |
| 1190 | Q | A | -3.1241 | |
| 1191 | E | A | -2.6951 | |
| 1192 | L | A | -0.9074 | |
| 1193 | T | A | -1.5188 | |
| 1194 | N | A | -2.9955 | |
| 1195 | A | A | 0.0000 | |
| 1196 | K | A | -4.1189 | |
| 1197 | N | A | -3.6152 | |
| 1198 | I | A | -2.6439 | |
| 1199 | K | A | -2.0998 | |
| 1200 | F | A | -1.0983 | |
| 1201 | K | A | -1.1969 | |
| 1202 | G | A | 0.0000 | |
| 1203 | F | A | 0.0000 | |
| 1204 | P | A | 0.0000 | |
| 1205 | V | A | 0.0000 | |
| 1206 | G | A | 0.0000 | |
| 1207 | A | A | 0.0000 | |
| 1208 | R | A | 0.0000 | |
| 1209 | G | A | 0.0000 | |
| 1210 | K | A | -0.3218 | |
| 1211 | W | A | 0.0000 | |
| 1212 | Y | A | 0.1186 | |
| 1213 | S | A | -0.3630 | |
| 1214 | G | A | -0.6363 | |
| 1215 | N | A | 0.0000 | |
| 1216 | Y | A | -1.2592 | |
| 1217 | E | A | -2.4402 | |
| 1218 | V | A | 0.0000 | |
| 1219 | L | A | 0.0000 | |
| 1220 | K | A | -2.5265 | |
| 1221 | A | A | -1.6773 | |
| 1222 | L | A | 0.0000 | |
| 1223 | G | A | -1.5866 | |
| 1224 | I | A | 0.0000 | |
| 1225 | S | A | -1.3537 | |
| 1226 | T | A | -1.3615 | |
| 1227 | S | A | -1.4900 | |
| 1228 | R | A | -2.2370 | |
| 1229 | Q | A | 0.0000 | |
| 1230 | E | A | -2.5768 | |
| 1231 | R | A | -2.7856 | |
| 1232 | I | A | 0.0000 | |
| 1233 | A | A | 0.0000 | |
| 1234 | R | A | -1.7112 | |
| 1235 | C | A | -0.6917 | |
| 1236 | M | A | 0.0000 | |
| 1237 | S | A | 0.0000 | |
| 1238 | R | A | -0.6066 | |
| 1239 | K | A | -0.7283 | |
| 1240 | A | A | 0.0000 | |
| 1241 | L | A | 0.0000 | |
| 1242 | F | A | -0.3186 | |
| 1243 | T | A | -0.7431 | |
| 1244 | S | A | 0.0000 | |
| 1245 | V | A | 0.0000 | |
| 1246 | D | A | -0.3529 | |
| 1247 | I | A | 0.0000 | |
| 1248 | I | A | 0.0000 | |
| 1249 | H | A | -0.2862 | |
| 1250 | I | A | 0.3934 | |
| 1251 | F | A | 0.0000 | |
| 1252 | V | A | -0.4743 | |
| 1253 | S | A | -0.7448 | |
| 1254 | H | A | -0.9825 | |
| 1255 | S | A | -0.7846 | |
| 1256 | R | A | -1.5916 | |
| 1257 | S | A | -0.6986 | |
| 1258 | L | A | 0.8595 | |
| 1259 | V | A | 0.8359 | |
| 1260 | R | A | -0.9805 | |
| 1261 | T | A | -0.2017 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.0224 | 3.7002 | View | CSV | PDB |
| 4.5 | -1.082 | 3.7002 | View | CSV | PDB |
| 5.0 | -1.1549 | 3.7002 | View | CSV | PDB |
| 5.5 | -1.2237 | 3.7002 | View | CSV | PDB |
| 6.0 | -1.2703 | 3.7002 | View | CSV | PDB |
| 6.5 | -1.2836 | 3.7002 | View | CSV | PDB |
| 7.0 | -1.2645 | 3.7002 | View | CSV | PDB |
| 7.5 | -1.2228 | 3.7002 | View | CSV | PDB |
| 8.0 | -1.1687 | 3.7002 | View | CSV | PDB |
| 8.5 | -1.1064 | 3.7002 | View | CSV | PDB |
| 9.0 | -1.0366 | 3.7002 | View | CSV | PDB |
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