| Chain sequence(s) |
D: TTNCLTKLQMTIKNITLLRLLDVMVCNIKRYIALLSTIVLFNIESYIMEPVNFLSDLIESLKDTFQEALELLPKYIRNGPFLDDNVTAKLVYIFSDLLMNSFWDNVKRISSDILVSLFGSFDQQRGFIIEELLSHIEKLPTKRIQKKLRKVQNIYITDFTFTLMSMLENINCYSFCNQMNIDLLKNEYKKQEEFLFNIVEHINDTILERFFKNPSALRYVIDNFVQDLLLLISSPQWPVTEKILSSLLKRLLSVYSPSMQVSANIETICLQLIGNIGSTIFDIKCSTRDHEDNNLITLPHFFKSFEECIAYNETIKCRRSATRFLWNLRLGTILIITVDNELKKILEQIKSTIKLDYFSILHAFELLNLYDPYLKLILSLLAKDKIKLRSTAIKCLSMLASKDKVILSNPMVKETIHRRLNDSSASVKDAILDLVSINSSYFEFYQQINNNYNDDSIMVRKHVLRINEKMYDETNDIVTKVYVIARILMKIEDEEDNIIDMARLILLNRWILKVHEVLDQPEKLKEISSSVLLVMSRVAIMNEKCSQLFDLFLNFYLLNKEAHSKEAYDKITHVLTILTDFLVQKIVELNIVDKQNFLNLLAKFADSTVSFLTKDHITALYPYMVSDSDFHYYILQVFRCTFEKLANFKQKFLYDLETTLLSRLPKMNVREIDEAMPLIWSVATHRHDTARVAKACSSCLSHLHPYINKANGKLQRLIYLSTGFARFCFPKGETLYEHITKCLLVLSKDKITHVIRRVAVKNLTKLCGNHPKLFNSRHVLHLLDKEFQSDQLDIKLVILESLYDLFLLEERKSVRNTGVNSTLSSNGVCSALATRFLDNILQLCLLRDLKNSLVAIRLLKLILKFGYTNPSHSIPTVIALFASTSQYIRHVAYELLEDLFEKYETLVFSSLSRGVTKAIHYSIHTDEKYYYKHDHFLSLLEKLCGTGKKNGPKFFKVLKRIMQSYLVQKSIFVLCTNISNITFVSQYDLVSLLKTIDLTTDRLKEVIMDELSGIILIQLSLQDLGTYLLHLYESELKNKQFSAQLENIEQ
input PDB |
| Selected Chain(s) | D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | Yes |
| 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 D chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:17:01)
[INFO] Analysis: Starting Aggrescan3D on model_3.pdb (03:29:12)
[INFO] Analysis: Starting Aggrescan3D on model_7.pdb (03:29:23)
[INFO] Analysis: Starting Aggrescan3D on model_1.pdb (03:29:35)
[INFO] Analysis: Starting Aggrescan3D on model_6.pdb (03:29:47)
[INFO] Analysis: Starting Aggrescan3D on model_9.pdb (03:29:58)
[INFO] Analysis: Starting Aggrescan3D on model_8.pdb (03:30:10)
[INFO] Analysis: Starting Aggrescan3D on model_5.pdb (03:30:22)
[INFO] Analysis: Starting Aggrescan3D on model_10.pdb (03:30:33)
[INFO] Analysis: Starting Aggrescan3D on model_4.pdb (03:30:45)
[INFO] Analysis: Starting Aggrescan3D on model_11.pdb (03:30:56)
[INFO] Analysis: Starting Aggrescan3D on model_0.pdb (03:31:09)
[INFO] Analysis: Starting Aggrescan3D on model_2.pdb (03:31:21)
[INFO] Analysis: Starting Aggrescan3D on input.pdb (03:31:32)
[WARNING] CABS: Pymol failed to launch (most likely not present on the system).Couldn't
create a superimposed picture of CABS input and output (03:31:44)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (03:31:46)
[CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie
creation failed. (03:31:46)
[INFO] Main: Simulation completed successfully. (03:31:58)
|
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 | |
| 221 | T | D | 0.5387 | |
| 222 | T | D | 0.0000 | |
| 223 | N | D | 0.6325 | |
| 224 | C | D | 0.0000 | |
| 225 | L | D | 0.0000 | |
| 226 | T | D | 0.0000 | |
| 227 | K | D | -0.0096 | |
| 228 | L | D | 0.0000 | |
| 229 | Q | D | 0.0000 | |
| 230 | M | D | -0.1416 | |
| 231 | T | D | -0.5028 | |
| 232 | I | D | 0.0000 | |
| 233 | K | D | -0.9762 | |
| 234 | N | D | -1.4866 | |
| 235 | I | D | -0.9825 | |
| 236 | T | D | 0.0000 | |
| 250 | L | D | 0.0000 | |
| 251 | L | D | 0.0000 | |
| 252 | R | D | 0.0000 | |
| 253 | L | D | 0.0000 | |
| 254 | L | D | 0.0000 | |
| 255 | D | D | 0.0000 | |
| 256 | V | D | 0.0000 | |
| 257 | M | D | 0.0000 | |
| 258 | V | D | 0.0000 | |
| 259 | C | D | 0.0000 | |
| 260 | N | D | 0.0000 | |
| 261 | I | D | -1.1308 | |
| 262 | K | D | -1.6103 | |
| 278 | R | D | -0.8275 | |
| 279 | Y | D | 0.7311 | |
| 280 | I | D | 0.0000 | |
| 281 | A | D | 0.0000 | |
| 282 | L | D | 0.0000 | |
| 283 | L | D | 0.8247 | |
| 284 | S | D | 0.0000 | |
| 285 | T | D | 0.0000 | |
| 286 | I | D | 0.0000 | |
| 287 | V | D | 0.0000 | |
| 288 | L | D | 0.0000 | |
| 289 | F | D | 0.0000 | |
| 290 | N | D | -0.0608 | |
| 291 | I | D | 0.5429 | |
| 304 | E | D | -0.0071 | |
| 305 | S | D | 0.4235 | |
| 306 | Y | D | 1.3074 | |
| 307 | I | D | 0.0000 | |
| 308 | M | D | 0.1914 | |
| 309 | E | D | 0.2771 | |
| 310 | P | D | 0.0000 | |
| 311 | V | D | 0.0000 | |
| 312 | N | D | 0.1266 | |
| 313 | F | D | 0.7055 | |
| 314 | L | D | 0.0000 | |
| 315 | S | D | 0.0000 | |
| 316 | D | D | -0.9593 | |
| 317 | L | D | 0.0000 | |
| 318 | I | D | 0.0000 | |
| 319 | E | D | -1.4141 | |
| 320 | S | D | -1.0010 | |
| 321 | L | D | -0.7528 | |
| 322 | K | D | -1.6755 | |
| 336 | D | D | -0.7123 | |
| 337 | T | D | 0.1548 | |
| 338 | F | D | 1.3832 | |
| 339 | Q | D | 0.5517 | |
| 340 | E | D | -0.0560 | |
| 341 | A | D | 0.0000 | |
| 342 | L | D | 0.0000 | |
| 343 | E | D | 0.0000 | |
| 344 | L | D | -0.0607 | |
| 345 | L | D | 0.4735 | |
| 346 | P | D | 0.0000 | |
| 347 | K | D | -0.3504 | |
| 348 | Y | D | 0.0699 | |
| 349 | I | D | 0.0000 | |
| 350 | R | D | 0.0000 | |
| 351 | N | D | -0.5705 | |
| 352 | G | D | 0.0000 | |
| 353 | P | D | 0.0000 | |
| 354 | F | D | -0.1613 | |
| 355 | L | D | 0.1043 | |
| 356 | D | D | -0.6968 | |
| 357 | D | D | -0.5054 | |
| 358 | N | D | -0.7919 | |
| 359 | V | D | 0.0000 | |
| 360 | T | D | 0.0000 | |
| 361 | A | D | 0.0000 | |
| 362 | K | D | -0.6038 | |
| 363 | L | D | 0.0000 | |
| 364 | V | D | 0.0000 | |
| 365 | Y | D | -0.7042 | |
| 366 | I | D | 0.0000 | |
| 367 | F | D | 0.0000 | |
| 368 | S | D | 0.0000 | |
| 369 | D | D | 0.0000 | |
| 370 | L | D | 0.0000 | |
| 371 | L | D | 0.0000 | |
| 372 | M | D | -1.4102 | |
| 373 | N | D | 0.0000 | |
| 386 | S | D | 0.0000 | |
| 387 | F | D | -0.2200 | |
| 388 | W | D | 0.2597 | |
| 389 | D | D | 0.0000 | |
| 390 | N | D | 0.0000 | |
| 391 | V | D | 0.7275 | |
| 392 | K | D | 0.0000 | |
| 393 | R | D | 0.1437 | |
| 394 | I | D | 0.5857 | |
| 395 | S | D | 0.0000 | |
| 396 | S | D | 0.0000 | |
| 397 | D | D | 0.0000 | |
| 398 | I | D | 0.6570 | |
| 399 | L | D | 0.0000 | |
| 400 | V | D | 0.0000 | |
| 401 | S | D | 0.0000 | |
| 402 | L | D | 0.2394 | |
| 403 | F | D | 0.0000 | |
| 404 | G | D | -0.1730 | |
| 405 | S | D | -0.2635 | |
| 406 | F | D | -0.1853 | |
| 407 | D | D | -1.6872 | |
| 408 | Q | D | -1.6557 | |
| 409 | Q | D | -0.9792 | |
| 410 | R | D | -0.8085 | |
| 411 | G | D | -0.5095 | |
| 412 | F | D | 0.1739 | |
| 413 | I | D | 0.0000 | |
| 414 | I | D | 0.0000 | |
| 415 | E | D | -0.8989 | |
| 416 | E | D | -0.8919 | |
| 417 | L | D | 0.0000 | |
| 418 | L | D | 0.0000 | |
| 419 | S | D | -0.6449 | |
| 420 | H | D | -0.9934 | |
| 421 | I | D | 0.0000 | |
| 422 | E | D | -1.5612 | |
| 423 | K | D | -1.5011 | |
| 424 | L | D | 0.0000 | |
| 425 | P | D | 0.0000 | |
| 426 | T | D | -1.2041 | |
| 427 | K | D | -2.1587 | |
| 428 | R | D | -2.4098 | |
| 429 | I | D | 0.0000 | |
| 430 | Q | D | -2.1396 | |
| 431 | K | D | -2.2938 | |
| 432 | K | D | -1.3235 | |
| 433 | L | D | -0.5207 | |
| 434 | R | D | 0.0000 | |
| 435 | K | D | -0.3203 | |
| 436 | V | D | -0.0525 | |
| 439 | Q | D | -0.0935 | |
| 440 | N | D | -0.7117 | |
| 441 | I | D | 0.8115 | |
| 442 | Y | D | 0.0000 | |
| 443 | I | D | 0.0000 | |
| 444 | T | D | 0.0000 | |
| 445 | D | D | 0.0000 | |
| 446 | F | D | 0.0000 | |
| 447 | T | D | 0.0000 | |
| 448 | F | D | 0.0000 | |
| 449 | T | D | 0.0000 | |
| 450 | L | D | 0.0000 | |
| 451 | M | D | 0.0000 | |
| 452 | S | D | 0.0000 | |
| 453 | M | D | 0.0000 | |
| 454 | L | D | 0.0000 | |
| 455 | E | D | 0.0000 | |
| 456 | N | D | 0.0000 | |
| 457 | I | D | -0.4472 | |
| 458 | N | D | -0.8603 | |
| 459 | C | D | -0.2270 | |
| 460 | Y | D | 0.1535 | |
| 461 | S | D | 0.1838 | |
| 462 | F | D | 1.1988 | |
| 463 | C | D | 0.3883 | |
| 464 | N | D | -0.9276 | |
| 465 | Q | D | -0.9487 | |
| 466 | M | D | 0.5234 | |
| 473 | N | D | 0.5464 | |
| 474 | I | D | 1.2983 | |
| 475 | D | D | -0.5884 | |
| 476 | L | D | 0.6640 | |
| 477 | L | D | 0.0833 | |
| 478 | K | D | -1.1316 | |
| 479 | N | D | -1.8835 | |
| 480 | E | D | -2.5946 | |
| 481 | Y | D | 0.0000 | |
| 482 | K | D | -3.1409 | |
| 483 | K | D | -3.3504 | |
| 484 | Q | D | 0.0000 | |
| 485 | E | D | -2.0008 | |
| 486 | E | D | -2.3496 | |
| 487 | F | D | -0.8380 | |
| 488 | L | D | 0.0000 | |
| 489 | F | D | -0.0920 | |
| 490 | N | D | -0.8534 | |
| 491 | I | D | 0.0000 | |
| 492 | V | D | 0.0000 | |
| 493 | E | D | -1.8175 | |
| 494 | H | D | -1.6486 | |
| 495 | I | D | 0.0000 | |
| 496 | N | D | -2.1470 | |
| 497 | D | D | -2.9647 | |
| 498 | T | D | -1.8127 | |
| 499 | I | D | 0.0000 | |
| 500 | L | D | 0.0000 | |
| 501 | E | D | -2.2458 | |
| 502 | R | D | -2.4167 | |
| 503 | F | D | 0.0000 | |
| 504 | F | D | -0.4027 | |
| 505 | K | D | -2.2340 | |
| 506 | N | D | -2.3599 | |
| 507 | P | D | 0.0000 | |
| 508 | S | D | -0.8391 | |
| 509 | A | D | -0.5248 | |
| 510 | L | D | -1.0050 | |
| 511 | R | D | -1.1952 | |
| 512 | Y | D | -0.6950 | |
| 513 | V | D | 0.0000 | |
| 514 | I | D | 0.0000 | |
| 515 | D | D | -0.4831 | |
| 516 | N | D | 0.0000 | |
| 517 | F | D | 0.0000 | |
| 518 | V | D | 0.1113 | |
| 519 | Q | D | -0.0681 | |
| 520 | D | D | 0.0000 | |
| 521 | L | D | 0.0000 | |
| 522 | L | D | 0.2638 | |
| 523 | L | D | 0.1616 | |
| 524 | L | D | 0.0000 | |
| 525 | I | D | 0.0000 | |
| 526 | S | D | -0.4381 | |
| 527 | S | D | 0.0000 | |
| 528 | P | D | -0.4828 | |
| 529 | Q | D | 0.0000 | |
| 530 | W | D | 0.0000 | |
| 531 | P | D | 0.0000 | |
| 532 | V | D | 0.0000 | |
| 533 | T | D | 0.0000 | |
| 534 | E | D | 0.0000 | |
| 535 | K | D | -0.1595 | |
| 536 | I | D | 0.0000 | |
| 537 | L | D | 0.0000 | |
| 538 | S | D | 0.0000 | |
| 539 | S | D | -1.0223 | |
| 540 | L | D | 0.0000 | |
| 541 | L | D | 0.0000 | |
| 542 | K | D | -1.9587 | |
| 543 | R | D | -1.8274 | |
| 544 | L | D | 0.0000 | |
| 545 | L | D | -0.7059 | |
| 546 | S | D | -0.7546 | |
| 547 | V | D | 0.0000 | |
| 548 | Y | D | -0.4165 | |
| 549 | S | D | -0.4477 | |
| 550 | P | D | -0.4533 | |
| 551 | S | D | -0.6863 | |
| 552 | M | D | 0.0000 | |
| 553 | Q | D | -1.6045 | |
| 554 | V | D | -0.5000 | |
| 555 | S | D | -0.7154 | |
| 556 | A | D | -1.1822 | |
| 557 | N | D | -1.6688 | |
| 558 | I | D | 0.0000 | |
| 559 | E | D | 0.0000 | |
| 560 | T | D | -0.9377 | |
| 561 | I | D | -0.5452 | |
| 562 | C | D | 0.0000 | |
| 563 | L | D | 0.0000 | |
| 564 | Q | D | -0.7780 | |
| 565 | L | D | 0.0000 | |
| 566 | I | D | 0.0000 | |
| 567 | G | D | 0.0000 | |
| 568 | N | D | -0.2667 | |
| 569 | I | D | -0.0106 | |
| 570 | G | D | 0.0000 | |
| 571 | S | D | 0.0000 | |
| 572 | T | D | -0.1758 | |
| 573 | I | D | 0.0000 | |
| 574 | F | D | 0.0000 | |
| 575 | D | D | -0.9600 | |
| 576 | I | D | 0.0000 | |
| 577 | K | D | 0.0000 | |
| 578 | C | D | -0.6052 | |
| 579 | S | D | -0.7757 | |
| 580 | T | D | -1.7214 | |
| 581 | R | D | -3.2579 | |
| 582 | D | D | -3.1267 | |
| 583 | H | D | -2.6545 | |
| 584 | E | D | -2.6558 | |
| 585 | D | D | -1.1703 | |
| 586 | N | D | -0.8945 | |
| 587 | N | D | 0.0568 | |
| 588 | L | D | 1.5691 | |
| 589 | I | D | 2.9626 | |
| 597 | T | D | 1.4967 | |
| 598 | L | D | 1.3650 | |
| 599 | P | D | -0.2969 | |
| 600 | H | D | -0.9622 | |
| 601 | F | D | 0.0000 | |
| 602 | F | D | -1.1649 | |
| 603 | K | D | -1.9684 | |
| 604 | S | D | -1.4372 | |
| 605 | F | D | 0.0000 | |
| 606 | E | D | -2.0571 | |
| 607 | E | D | -2.2366 | |
| 608 | C | D | 0.0000 | |
| 609 | I | D | 0.0000 | |
| 610 | A | D | -0.3571 | |
| 611 | Y | D | 0.5279 | |
| 612 | N | D | 0.0000 | |
| 613 | E | D | -0.9750 | |
| 614 | T | D | -0.0275 | |
| 615 | I | D | 0.1901 | |
| 616 | K | D | -1.7394 | |
| 617 | C | D | 0.0000 | |
| 618 | R | D | -1.6370 | |
| 619 | R | D | -1.7389 | |
| 620 | S | D | 0.0000 | |
| 621 | A | D | 0.0000 | |
| 622 | T | D | 0.0000 | |
| 623 | R | D | -0.7143 | |
| 624 | F | D | 0.0000 | |
| 625 | L | D | 0.0000 | |
| 626 | W | D | -0.1791 | |
| 627 | N | D | 0.0000 | |
| 628 | L | D | 0.0000 | |
| 629 | R | D | 0.0000 | |
| 630 | L | D | -0.1897 | |
| 631 | G | D | 0.0092 | |
| 632 | T | D | 0.0000 | |
| 633 | I | D | 0.6481 | |
| 634 | L | D | 1.8484 | |
| 647 | I | D | 2.2759 | |
| 648 | I | D | 2.5382 | |
| 649 | T | D | 0.0000 | |
| 650 | V | D | 0.0000 | |
| 651 | D | D | 1.3647 | |
| 652 | N | D | 0.2826 | |
| 653 | E | D | 0.0000 | |
| 654 | L | D | 0.0000 | |
| 655 | K | D | -0.6753 | |
| 656 | K | D | -1.6381 | |
| 657 | I | D | 0.0000 | |
| 658 | L | D | 0.0000 | |
| 659 | E | D | -1.3153 | |
| 660 | Q | D | -1.4188 | |
| 661 | I | D | -0.7567 | |
| 662 | K | D | 0.0000 | |
| 678 | S | D | 0.0000 | |
| 679 | T | D | 0.0000 | |
| 680 | I | D | -0.0599 | |
| 681 | K | D | -1.0268 | |
| 682 | L | D | 0.6718 | |
| 683 | D | D | -0.2895 | |
| 684 | Y | D | 0.0000 | |
| 685 | F | D | 0.0000 | |
| 686 | S | D | 0.0000 | |
| 687 | I | D | 0.0000 | |
| 688 | L | D | 0.0000 | |
| 689 | H | D | 0.0000 | |
| 690 | A | D | 0.0000 | |
| 691 | F | D | 0.0000 | |
| 692 | E | D | -1.1772 | |
| 693 | L | D | 0.0000 | |
| 694 | L | D | 0.0000 | |
| 695 | N | D | -0.9763 | |
| 696 | L | D | -1.1378 | |
| 697 | Y | D | 0.0000 | |
| 698 | D | D | -1.8484 | |
| 699 | P | D | -1.5234 | |
| 700 | Y | D | 0.0000 | |
| 701 | L | D | 0.0000 | |
| 702 | K | D | -1.7909 | |
| 703 | L | D | -0.7524 | |
| 704 | I | D | 0.0000 | |
| 705 | L | D | -0.3944 | |
| 706 | S | D | -0.5676 | |
| 707 | L | D | 0.0000 | |
| 708 | L | D | 0.0000 | |
| 709 | A | D | -0.7686 | |
| 710 | K | D | -1.3356 | |
| 711 | D | D | -2.2509 | |
| 712 | K | D | -1.5590 | |
| 713 | I | D | -0.7710 | |
| 714 | K | D | -1.6989 | |
| 715 | L | D | 0.0000 | |
| 716 | R | D | 0.0000 | |
| 717 | S | D | -1.1221 | |
| 718 | T | D | -0.9593 | |
| 719 | A | D | 0.0000 | |
| 720 | I | D | 0.0000 | |
| 721 | K | D | -1.5000 | |
| 722 | C | D | 0.0000 | |
| 723 | L | D | 0.0000 | |
| 724 | S | D | 0.0000 | |
| 725 | M | D | -0.2921 | |
| 726 | L | D | 0.0000 | |
| 727 | A | D | 0.0000 | |
| 728 | S | D | -0.4217 | |
| 729 | K | D | -0.9172 | |
| 730 | D | D | -0.9081 | |
| 731 | K | D | -1.3210 | |
| 732 | V | D | -0.5697 | |
| 733 | I | D | 0.0000 | |
| 734 | L | D | -0.6854 | |
| 735 | S | D | -0.9369 | |
| 736 | N | D | -1.5309 | |
| 737 | P | D | -1.2718 | |
| 738 | M | D | -0.7471 | |
| 739 | V | D | 0.0000 | |
| 740 | K | D | -1.9356 | |
| 741 | E | D | -2.6042 | |
| 742 | T | D | 0.0000 | |
| 743 | I | D | 0.0000 | |
| 744 | H | D | -2.8587 | |
| 745 | R | D | -3.3541 | |
| 746 | R | D | 0.0000 | |
| 747 | L | D | 0.0000 | |
| 748 | N | D | -2.8605 | |
| 749 | D | D | -2.5944 | |
| 750 | S | D | -1.8869 | |
| 751 | S | D | -0.7741 | |
| 752 | A | D | -0.3232 | |
| 753 | S | D | -0.4895 | |
| 754 | V | D | 0.0000 | |
| 755 | K | D | 0.0000 | |
| 756 | D | D | -0.8868 | |
| 757 | A | D | -0.9951 | |
| 758 | I | D | 0.0000 | |
| 759 | L | D | 0.0000 | |
| 760 | D | D | -0.8292 | |
| 761 | L | D | 0.0000 | |
| 762 | V | D | 0.0000 | |
| 763 | S | D | -0.2500 | |
| 764 | I | D | 0.6279 | |
| 765 | N | D | 0.2023 | |
| 766 | S | D | -0.0342 | |
| 767 | S | D | -0.1273 | |
| 768 | Y | D | 0.0000 | |
| 769 | F | D | 0.6077 | |
| 770 | E | D | -1.0830 | |
| 771 | F | D | 0.0000 | |
| 772 | Y | D | 0.0000 | |
| 773 | Q | D | -1.2585 | |
| 774 | Q | D | -1.5012 | |
| 775 | I | D | 0.0000 | |
| 776 | N | D | 0.0000 | |
| 777 | N | D | -1.1472 | |
| 778 | N | D | -1.6507 | |
| 779 | Y | D | 0.0000 | |
| 780 | N | D | -1.7763 | |
| 781 | D | D | 0.0000 | |
| 782 | D | D | -0.9248 | |
| 783 | S | D | 0.1452 | |
| 784 | I | D | 0.9889 | |
| 785 | M | D | 0.9471 | |
| 786 | V | D | 0.0000 | |
| 787 | R | D | 0.0000 | |
| 788 | K | D | -0.5198 | |
| 789 | H | D | -0.8815 | |
| 790 | V | D | 0.0000 | |
| 791 | L | D | 0.0000 | |
| 792 | R | D | -2.4165 | |
| 793 | I | D | 0.0000 | |
| 794 | N | D | 0.0000 | |
| 795 | E | D | -2.4064 | |
| 796 | K | D | -2.6666 | |
| 797 | M | D | 0.0000 | |
| 798 | Y | D | -2.0193 | |
| 799 | D | D | -3.2532 | |
| 800 | E | D | -3.2924 | |
| 801 | T | D | -1.6698 | |
| 802 | N | D | -2.1567 | |
| 803 | D | D | -1.0677 | |
| 804 | I | D | 1.7926 | |
| 805 | V | D | 2.2786 | |
| 806 | T | D | 1.1872 | |
| 807 | K | D | 0.0000 | |
| 808 | V | D | 1.4600 | |
| 809 | Y | D | 1.7912 | |
| 810 | V | D | 0.0000 | |
| 811 | I | D | 0.0000 | |
| 812 | A | D | 0.1796 | |
| 813 | R | D | 0.0560 | |
| 814 | I | D | 0.0000 | |
| 815 | L | D | 0.0000 | |
| 816 | M | D | -0.6754 | |
| 817 | K | D | 0.0000 | |
| 818 | I | D | 0.0000 | |
| 819 | E | D | -2.2781 | |
| 820 | D | D | -3.0868 | |
| 821 | E | D | -3.8242 | |
| 822 | E | D | -3.1154 | |
| 823 | D | D | -3.3629 | |
| 824 | N | D | -2.4581 | |
| 825 | I | D | 0.0000 | |
| 826 | I | D | 0.0000 | |
| 827 | D | D | -1.0203 | |
| 828 | M | D | -0.2706 | |
| 829 | A | D | 0.0000 | |
| 830 | R | D | 0.1534 | |
| 831 | L | D | 0.9474 | |
| 832 | I | D | 0.3777 | |
| 833 | L | D | 0.0000 | |
| 834 | L | D | 0.0000 | |
| 835 | N | D | -0.1899 | |
| 836 | R | D | 0.0000 | |
| 837 | W | D | 0.0000 | |
| 838 | I | D | 0.0000 | |
| 839 | L | D | -0.2673 | |
| 840 | K | D | -0.8626 | |
| 841 | V | D | 0.0000 | |
| 842 | H | D | -1.3036 | |
| 843 | E | D | -2.0892 | |
| 844 | V | D | -1.7389 | |
| 845 | L | D | -0.8784 | |
| 846 | D | D | -2.4787 | |
| 847 | Q | D | -3.1004 | |
| 848 | P | D | -2.8055 | |
| 849 | E | D | -3.7641 | |
| 850 | K | D | -3.4903 | |
| 851 | L | D | 0.0000 | |
| 852 | K | D | -3.4184 | |
| 853 | E | D | -3.0993 | |
| 854 | I | D | -1.2119 | |
| 855 | S | D | 0.0000 | |
| 856 | S | D | -0.9286 | |
| 857 | S | D | -0.3090 | |
| 858 | V | D | 0.0000 | |
| 859 | L | D | 0.0000 | |
| 860 | L | D | 0.1965 | |
| 861 | V | D | 0.0000 | |
| 862 | M | D | 0.0000 | |
| 863 | S | D | 0.0000 | |
| 864 | R | D | -0.2650 | |
| 865 | V | D | 0.0000 | |
| 866 | A | D | 0.0000 | |
| 867 | I | D | 0.3627 | |
| 868 | M | D | 0.3529 | |
| 869 | N | D | -0.9358 | |
| 870 | E | D | -0.9331 | |
| 871 | K | D | -0.8486 | |
| 872 | C | D | 0.0000 | |
| 873 | S | D | 0.0000 | |
| 874 | Q | D | 0.0000 | |
| 875 | L | D | 0.0000 | |
| 876 | F | D | 0.0000 | |
| 877 | D | D | 0.0000 | |
| 878 | L | D | 0.0000 | |
| 879 | F | D | 0.0000 | |
| 880 | L | D | 0.0000 | |
| 881 | N | D | 0.0000 | |
| 882 | F | D | 0.0000 | |
| 883 | Y | D | 0.0000 | |
| 884 | L | D | 0.0000 | |
| 885 | L | D | 0.0000 | |
| 886 | N | D | -1.3873 | |
| 887 | K | D | -1.4919 | |
| 888 | E | D | -2.5497 | |
| 889 | A | D | -1.7807 | |
| 890 | H | D | -1.9057 | |
| 891 | S | D | -2.3813 | |
| 892 | K | D | -3.8452 | |
| 893 | E | D | -3.7419 | |
| 894 | A | D | -2.6403 | |
| 895 | Y | D | 0.0000 | |
| 896 | D | D | -3.7874 | |
| 897 | K | D | -3.3727 | |
| 898 | I | D | -1.5870 | |
| 899 | T | D | -1.4581 | |
| 900 | H | D | -1.6889 | |
| 901 | V | D | 0.0000 | |
| 902 | L | D | 0.0000 | |
| 903 | T | D | 0.0980 | |
| 904 | I | D | 0.3569 | |
| 905 | L | D | 0.0000 | |
| 906 | T | D | 0.0000 | |
| 907 | D | D | -1.5932 | |
| 908 | F | D | -0.8312 | |
| 909 | L | D | 0.0000 | |
| 910 | V | D | 0.0000 | |
| 911 | Q | D | -1.3441 | |
| 912 | K | D | -1.2961 | |
| 913 | I | D | 0.0000 | |
| 914 | V | D | -0.6586 | |
| 915 | E | D | -1.9230 | |
| 916 | L | D | -0.8146 | |
| 917 | N | D | -0.4710 | |
| 927 | I | D | 1.7203 | |
| 928 | V | D | 1.6492 | |
| 929 | D | D | 0.4126 | |
| 930 | K | D | 0.0000 | |
| 931 | Q | D | 0.0000 | |
| 932 | N | D | 0.0000 | |
| 933 | F | D | 0.0000 | |
| 934 | L | D | 0.0000 | |
| 935 | N | D | 0.0000 | |
| 936 | L | D | 0.0000 | |
| 937 | L | D | 0.0000 | |
| 938 | A | D | 0.0000 | |
| 939 | K | D | 0.0000 | |
| 940 | F | D | 0.0000 | |
| 941 | A | D | 0.0000 | |
| 942 | D | D | 0.0000 | |
| 943 | S | D | 0.0000 | |
| 944 | T | D | -1.0475 | |
| 945 | V | D | 0.0000 | |
| 946 | S | D | 0.0000 | |
| 947 | F | D | -0.5139 | |
| 948 | L | D | 0.0000 | |
| 949 | T | D | -2.4587 | |
| 950 | K | D | -3.4466 | |
| 951 | D | D | -3.2190 | |
| 952 | H | D | 0.0000 | |
| 953 | I | D | 0.0000 | |
| 954 | T | D | -1.4791 | |
| 955 | A | D | -0.5437 | |
| 956 | L | D | 0.0000 | |
| 957 | Y | D | 0.9709 | |
| 958 | P | D | 0.5787 | |
| 959 | Y | D | 0.3245 | |
| 960 | M | D | 0.0000 | |
| 961 | V | D | 0.5872 | |
| 962 | S | D | -0.5803 | |
| 963 | D | D | -1.9025 | |
| 966 | S | D | -1.2467 | |
| 967 | D | D | -1.3449 | |
| 968 | F | D | 0.0000 | |
| 969 | H | D | 0.0000 | |
| 970 | Y | D | -0.2633 | |
| 971 | Y | D | 0.0000 | |
| 972 | I | D | 0.0000 | |
| 973 | L | D | 0.0000 | |
| 974 | Q | D | 0.0000 | |
| 975 | V | D | 0.0000 | |
| 976 | F | D | 0.0000 | |
| 977 | R | D | 0.0000 | |
| 978 | C | D | 0.0000 | |
| 979 | T | D | 0.0000 | |
| 980 | F | D | 0.0000 | |
| 981 | E | D | -1.1571 | |
| 982 | K | D | -0.9268 | |
| 983 | L | D | -0.4471 | |
| 984 | A | D | -0.7801 | |
| 985 | N | D | -1.6795 | |
| 986 | F | D | 0.0000 | |
| 987 | K | D | -3.5062 | |
| 988 | Q | D | -3.3552 | |
| 989 | K | D | -2.9140 | |
| 990 | F | D | 0.0000 | |
| 991 | L | D | 0.0000 | |
| 992 | Y | D | -0.2395 | |
| 993 | D | D | 0.0000 | |
| 994 | L | D | 0.0000 | |
| 995 | E | D | 0.0000 | |
| 996 | T | D | 0.7401 | |
| 997 | T | D | 0.0000 | |
| 998 | L | D | 0.0000 | |
| 999 | L | D | 0.4719 | |
| 1000 | S | D | 0.0196 | |
| 1001 | R | D | 0.0000 | |
| 1002 | L | D | -0.2829 | |
| 1003 | P | D | -0.7769 | |
| 1004 | K | D | -1.4322 | |
| 1005 | M | D | 0.0000 | |
| 1006 | N | D | -1.7252 | |
| 1007 | V | D | -0.8575 | |
| 1008 | R | D | -0.5782 | |
| 1009 | E | D | -0.6769 | |
| 1010 | I | D | 0.0000 | |
| 1011 | D | D | 0.0000 | |
| 1012 | E | D | 0.0000 | |
| 1013 | A | D | 0.0000 | |
| 1014 | M | D | 0.0000 | |
| 1015 | P | D | 0.0000 | |
| 1016 | L | D | 0.0000 | |
| 1017 | I | D | 0.4517 | |
| 1018 | W | D | -0.0008 | |
| 1019 | S | D | 0.0000 | |
| 1020 | V | D | 0.0000 | |
| 1021 | A | D | 0.0000 | |
| 1022 | T | D | -1.2975 | |
| 1023 | H | D | -1.7583 | |
| 1024 | R | D | -2.2108 | |
| 1025 | H | D | -2.4678 | |
| 1026 | D | D | -2.9480 | |
| 1027 | T | D | 0.0000 | |
| 1028 | A | D | -2.1126 | |
| 1029 | R | D | -2.1766 | |
| 1030 | V | D | 0.0000 | |
| 1031 | A | D | -1.9198 | |
| 1032 | K | D | -2.3038 | |
| 1033 | A | D | -1.0731 | |
| 1034 | C | D | 0.0000 | |
| 1035 | S | D | -1.3082 | |
| 1036 | S | D | -0.8129 | |
| 1037 | C | D | 0.0000 | |
| 1038 | L | D | 0.0000 | |
| 1039 | S | D | -0.9345 | |
| 1040 | H | D | -1.1469 | |
| 1041 | L | D | 0.0000 | |
| 1042 | H | D | -1.6646 | |
| 1043 | P | D | -1.5518 | |
| 1044 | Y | D | 0.0000 | |
| 1045 | I | D | 0.0000 | |
| 1046 | N | D | -2.2118 | |
| 1047 | K | D | -2.9047 | |
| 1048 | A | D | 0.0000 | |
| 1049 | N | D | -2.5402 | |
| 1059 | G | D | -1.6266 | |
| 1060 | K | D | -2.2434 | |
| 1061 | L | D | 0.0000 | |
| 1062 | Q | D | -1.3402 | |
| 1063 | R | D | -2.1194 | |
| 1064 | L | D | -0.9612 | |
| 1065 | I | D | 0.0000 | |
| 1066 | Y | D | 0.0000 | |
| 1067 | L | D | 0.0000 | |
| 1068 | S | D | 0.0000 | |
| 1069 | T | D | 0.0000 | |
| 1070 | G | D | 0.0000 | |
| 1071 | F | D | 0.0000 | |
| 1072 | A | D | 0.0000 | |
| 1073 | R | D | 0.0000 | |
| 1074 | F | D | 0.0000 | |
| 1075 | C | D | -0.0833 | |
| 1076 | F | D | -0.3863 | |
| 1077 | P | D | -1.2269 | |
| 1078 | K | D | -2.2570 | |
| 1090 | G | D | -1.3912 | |
| 1091 | E | D | -1.7134 | |
| 1092 | T | D | -1.4824 | |
| 1093 | L | D | 0.0000 | |
| 1094 | Y | D | 0.0000 | |
| 1095 | E | D | -3.0381 | |
| 1096 | H | D | -2.4546 | |
| 1097 | I | D | 0.0000 | |
| 1098 | T | D | 0.0000 | |
| 1099 | K | D | -2.4265 | |
| 1100 | C | D | 0.0000 | |
| 1101 | L | D | 0.0000 | |
| 1102 | L | D | -0.6509 | |
| 1103 | V | D | -0.8310 | |
| 1104 | L | D | 0.0000 | |
| 1105 | S | D | 0.0000 | |
| 1106 | K | D | -1.8637 | |
| 1107 | D | D | -1.6059 | |
| 1108 | K | D | -0.4768 | |
| 1109 | I | D | 1.2794 | |
| 1110 | T | D | 0.1419 | |
| 1111 | H | D | 0.2229 | |
| 1112 | V | D | 0.9736 | |
| 1113 | I | D | -0.1430 | |
| 1114 | R | D | 0.0000 | |
| 1115 | R | D | -0.4296 | |
| 1116 | V | D | 0.0000 | |
| 1117 | A | D | 0.0000 | |
| 1118 | V | D | 0.0000 | |
| 1119 | K | D | -0.4050 | |
| 1120 | N | D | 0.0000 | |
| 1121 | L | D | 0.0000 | |
| 1122 | T | D | 0.0000 | |
| 1123 | K | D | 0.0000 | |
| 1124 | L | D | 0.0000 | |
| 1125 | C | D | 0.0000 | |
| 1126 | G | D | -0.4672 | |
| 1127 | N | D | -0.5971 | |
| 1128 | H | D | -1.1752 | |
| 1129 | P | D | -1.3020 | |
| 1130 | K | D | -2.8962 | |
| 1131 | L | D | 0.0000 | |
| 1132 | F | D | -1.3853 | |
| 1133 | N | D | -2.5202 | |
| 1134 | S | D | -2.5427 | |
| 1135 | R | D | -2.8540 | |
| 1136 | H | D | -2.1336 | |
| 1137 | V | D | 0.0000 | |
| 1138 | L | D | -1.4799 | |
| 1139 | H | D | -1.8605 | |
| 1140 | L | D | 0.0000 | |
| 1141 | L | D | 0.0000 | |
| 1142 | D | D | -1.5315 | |
| 1143 | K | D | -1.4854 | |
| 1144 | E | D | 0.0000 | |
| 1145 | F | D | -1.6699 | |
| 1146 | Q | D | -2.2593 | |
| 1147 | S | D | -1.3330 | |
| 1148 | D | D | -1.8490 | |
| 1149 | Q | D | -1.8293 | |
| 1150 | L | D | 0.0000 | |
| 1151 | D | D | -1.4750 | |
| 1152 | I | D | 0.0000 | |
| 1153 | K | D | 0.0000 | |
| 1154 | L | D | -0.3319 | |
| 1155 | V | D | -0.0427 | |
| 1156 | I | D | 0.0000 | |
| 1157 | L | D | 0.0000 | |
| 1158 | E | D | -0.3503 | |
| 1159 | S | D | -0.1404 | |
| 1160 | L | D | 0.0000 | |
| 1161 | Y | D | -0.1080 | |
| 1162 | D | D | 0.0000 | |
| 1163 | L | D | 0.0000 | |
| 1164 | F | D | 0.0000 | |
| 1165 | L | D | 0.0000 | |
| 1166 | L | D | 0.0000 | |
| 1167 | E | D | 0.0000 | |
| 1168 | E | D | -0.1628 | |
| 1169 | R | D | 0.0000 | |
| 1170 | K | D | -0.6795 | |
| 1171 | S | D | 0.0000 | |
| 1172 | V | D | -0.6828 | |
| 1173 | R | D | 0.0000 | |
| 1174 | N | D | -1.3847 | |
| 1175 | T | D | -1.1520 | |
| 1176 | G | D | 0.0000 | |
| 1177 | V | D | 0.0000 | |
| 1178 | N | D | -0.7344 | |
| 1179 | S | D | -1.3383 | |
| 1180 | T | D | -0.4910 | |
| 1181 | L | D | 0.5933 | |
| 1182 | S | D | -0.3531 | |
| 1183 | S | D | -0.7837 | |
| 1184 | N | D | -0.8202 | |
| 1203 | G | D | -0.1473 | |
| 1204 | V | D | 0.9694 | |
| 1205 | C | D | 0.4613 | |
| 1206 | S | D | 0.6099 | |
| 1207 | A | D | 0.1937 | |
| 1208 | L | D | 0.0000 | |
| 1209 | A | D | 0.0000 | |
| 1210 | T | D | -0.2951 | |
| 1211 | R | D | -0.6437 | |
| 1212 | F | D | 0.0000 | |
| 1213 | L | D | -0.8211 | |
| 1214 | D | D | -2.0514 | |
| 1215 | N | D | 0.0000 | |
| 1216 | I | D | 0.0000 | |
| 1217 | L | D | -0.6147 | |
| 1218 | Q | D | -1.2741 | |
| 1219 | L | D | 0.0000 | |
| 1220 | C | D | 0.0000 | |
| 1221 | L | D | -0.1495 | |
| 1222 | L | D | -0.5782 | |
| 1223 | R | D | -1.7244 | |
| 1224 | D | D | -1.5509 | |
| 1225 | L | D | -0.3298 | |
| 1226 | K | D | -1.0828 | |
| 1227 | N | D | 0.0000 | |
| 1228 | S | D | 0.0000 | |
| 1229 | L | D | -0.0920 | |
| 1230 | V | D | -0.1002 | |
| 1231 | A | D | 0.0000 | |
| 1232 | I | D | 0.0000 | |
| 1233 | R | D | -0.6643 | |
| 1234 | L | D | 0.0000 | |
| 1235 | L | D | 0.0000 | |
| 1236 | K | D | -0.6398 | |
| 1237 | L | D | 0.0000 | |
| 1238 | I | D | 0.0000 | |
| 1239 | L | D | 0.0000 | |
| 1240 | K | D | -0.1016 | |
| 1241 | F | D | 1.1839 | |
| 1242 | G | D | 0.1182 | |
| 1243 | Y | D | 0.4803 | |
| 1244 | T | D | 0.0000 | |
| 1245 | N | D | -0.8378 | |
| 1246 | P | D | 0.0000 | |
| 1247 | S | D | -0.5268 | |
| 1248 | H | D | -0.8501 | |
| 1249 | S | D | 0.0000 | |
| 1250 | I | D | 0.0000 | |
| 1251 | P | D | 0.0000 | |
| 1252 | T | D | 0.0000 | |
| 1253 | V | D | 0.0000 | |
| 1254 | I | D | 0.0000 | |
| 1255 | A | D | 0.0000 | |
| 1256 | L | D | 0.0000 | |
| 1257 | F | D | 0.0000 | |
| 1258 | A | D | 0.0000 | |
| 1259 | S | D | 0.0000 | |
| 1260 | T | D | -0.4973 | |
| 1261 | S | D | -0.2095 | |
| 1262 | Q | D | -1.0251 | |
| 1263 | Y | D | 0.2552 | |
| 1264 | I | D | 0.0000 | |
| 1265 | R | D | -1.0486 | |
| 1266 | H | D | -1.2362 | |
| 1267 | V | D | 0.0000 | |
| 1268 | A | D | 0.0000 | |
| 1269 | Y | D | -0.8337 | |
| 1270 | E | D | -1.7290 | |
| 1271 | L | D | 0.0000 | |
| 1272 | L | D | 0.0000 | |
| 1273 | E | D | -1.7788 | |
| 1274 | D | D | -1.5078 | |
| 1275 | L | D | 0.0000 | |
| 1276 | F | D | 0.0000 | |
| 1277 | E | D | -2.0448 | |
| 1278 | K | D | -1.2296 | |
| 1279 | Y | D | 0.1089 | |
| 1280 | E | D | -0.6088 | |
| 1281 | T | D | -0.0412 | |
| 1282 | L | D | 0.2955 | |
| 1283 | V | D | 0.0000 | |
| 1284 | F | D | -0.3175 | |
| 1285 | S | D | -0.4253 | |
| 1286 | S | D | 0.0000 | |
| 1287 | L | D | 0.0000 | |
| 1288 | S | D | -1.5235 | |
| 1289 | R | D | -1.7814 | |
| 1290 | G | D | 0.0000 | |
| 1291 | V | D | 0.0000 | |
| 1292 | T | D | -1.1568 | |
| 1293 | K | D | -1.3856 | |
| 1294 | A | D | 0.0000 | |
| 1295 | I | D | 0.0000 | |
| 1296 | H | D | -1.5634 | |
| 1297 | Y | D | 0.0000 | |
| 1298 | S | D | 0.0000 | |
| 1299 | I | D | -1.6172 | |
| 1300 | H | D | -1.8125 | |
| 1301 | T | D | -1.6773 | |
| 1302 | D | D | -2.3685 | |
| 1303 | E | D | -1.9851 | |
| 1304 | K | D | -1.9801 | |
| 1305 | Y | D | -0.2536 | |
| 1306 | Y | D | 0.0000 | |
| 1307 | Y | D | -1.2175 | |
| 1308 | K | D | -1.0137 | |
| 1309 | H | D | 0.0000 | |
| 1310 | D | D | -0.6336 | |
| 1311 | H | D | 0.0000 | |
| 1312 | F | D | 0.0000 | |
| 1313 | L | D | 0.0000 | |
| 1314 | S | D | -0.4992 | |
| 1315 | L | D | -0.5122 | |
| 1316 | L | D | 0.0000 | |
| 1317 | E | D | 0.0000 | |
| 1318 | K | D | -1.7840 | |
| 1319 | L | D | 0.0000 | |
| 1320 | C | D | 0.0000 | |
| 1321 | G | D | -1.4687 | |
| 1322 | T | D | -1.6252 | |
| 1323 | G | D | -1.8137 | |
| 1324 | K | D | -2.1051 | |
| 1325 | K | D | 0.0000 | |
| 1326 | N | D | -1.9024 | |
| 1327 | G | D | 0.0000 | |
| 1328 | P | D | -1.5677 | |
| 1329 | K | D | -2.2428 | |
| 1330 | F | D | 0.0000 | |
| 1331 | F | D | 0.0000 | |
| 1332 | K | D | -2.8347 | |
| 1333 | V | D | 0.0000 | |
| 1334 | L | D | 0.0000 | |
| 1335 | K | D | -2.1959 | |
| 1336 | R | D | -2.8168 | |
| 1337 | I | D | 0.0000 | |
| 1338 | M | D | 0.0000 | |
| 1339 | Q | D | -1.5326 | |
| 1340 | S | D | -0.7993 | |
| 1341 | Y | D | 0.5458 | |
| 1342 | L | D | 1.8325 | |
| 1355 | V | D | 1.6258 | |
| 1356 | Q | D | 0.2763 | |
| 1357 | K | D | -1.1921 | |
| 1358 | S | D | 0.0000 | |
| 1359 | I | D | 0.7837 | |
| 1360 | F | D | 0.1802 | |
| 1361 | V | D | 0.0000 | |
| 1362 | L | D | 0.0000 | |
| 1363 | C | D | 0.4058 | |
| 1364 | T | D | 0.0000 | |
| 1365 | N | D | 0.0000 | |
| 1366 | I | D | 0.3047 | |
| 1367 | S | D | 0.0000 | |
| 1368 | N | D | -0.3873 | |
| 1369 | I | D | 0.0000 | |
| 1370 | T | D | -0.6467 | |
| 1371 | F | D | 0.0481 | |
| 1372 | V | D | 0.3054 | |
| 1373 | S | D | 0.4010 | |
| 1374 | Q | D | 0.0000 | |
| 1375 | Y | D | 1.1852 | |
| 1376 | D | D | 0.4578 | |
| 1377 | L | D | 0.0000 | |
| 1378 | V | D | 0.5853 | |
| 1379 | S | D | -0.1152 | |
| 1380 | L | D | 0.0000 | |
| 1381 | L | D | -0.0027 | |
| 1382 | K | D | -1.4968 | |
| 1383 | T | D | -0.8783 | |
| 1384 | I | D | -0.7497 | |
| 1385 | D | D | -1.9382 | |
| 1386 | L | D | -0.7034 | |
| 1387 | T | D | -1.0652 | |
| 1388 | T | D | -1.8773 | |
| 1389 | D | D | -3.1770 | |
| 1390 | R | D | -3.1988 | |
| 1391 | L | D | 0.0000 | |
| 1392 | K | D | -2.7065 | |
| 1393 | E | D | -2.6016 | |
| 1394 | V | D | -0.4074 | |
| 1395 | I | D | 0.0000 | |
| 1396 | M | D | -0.7522 | |
| 1397 | D | D | -1.8945 | |
| 1398 | E | D | -1.5469 | |
| 1413 | L | D | 0.5578 | |
| 1414 | S | D | 0.1132 | |
| 1415 | G | D | 0.3313 | |
| 1416 | I | D | 1.0423 | |
| 1417 | I | D | 0.0000 | |
| 1418 | L | D | 0.2009 | |
| 1419 | I | D | 0.8635 | |
| 1420 | Q | D | -0.4595 | |
| 1421 | L | D | 0.1829 | |
| 1422 | S | D | 0.0000 | |
| 1423 | L | D | -0.4058 | |
| 1424 | Q | D | -1.0288 | |
| 1425 | D | D | -0.3816 | |
| 1426 | L | D | 0.0000 | |
| 1427 | G | D | -0.5096 | |
| 1428 | T | D | -0.1794 | |
| 1429 | Y | D | 0.0000 | |
| 1430 | L | D | 0.0000 | |
| 1431 | L | D | 0.7511 | |
| 1432 | H | D | -1.0831 | |
| 1433 | L | D | 0.0000 | |
| 1434 | Y | D | -0.6051 | |
| 1448 | E | D | -2.2316 | |
| 1449 | S | D | -1.7065 | |
| 1450 | E | D | -1.7186 | |
| 1451 | L | D | -0.4181 | |
| 1452 | K | D | -2.3896 | |
| 1453 | N | D | 0.0000 | |
| 1454 | K | D | -2.3101 | |
| 1455 | Q | D | -1.3072 | |
| 1466 | F | D | 0.2197 | |
| 1467 | S | D | 0.0000 | |
| 1468 | A | D | 0.0000 | |
| 1469 | Q | D | -0.6126 | |
| 1470 | L | D | 0.7818 | |
| 1471 | E | D | 0.0000 | |
| 1472 | N | D | -1.0462 | |
| 1473 | I | D | 1.0266 | |
| 1474 | E | D | -0.1691 | |
| 1475 | Q | D | -1.2289 |
CABS-flex predictions of flexibility of input structure
In dynamic mode, A3D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A3D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A3D score, -0.505 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A3D Score |
|||
| model_6 | -0.505 | View | CSV | PDB |
| model_0 | -0.5102 | View | CSV | PDB |
| model_1 | -0.5137 | View | CSV | PDB |
| model_3 | -0.5212 | View | CSV | PDB |
| model_8 | -0.5234 | View | CSV | PDB |
| model_11 | -0.5385 | View | CSV | PDB |
| model_4 | -0.539 | View | CSV | PDB |
| model_5 | -0.5411 | View | CSV | PDB |
| model_2 | -0.5421 | View | CSV | PDB |
| model_7 | -0.551 | View | CSV | PDB |
| model_10 | -0.5511 | View | CSV | PDB |
| model_9 | -0.5641 | View | CSV | PDB |
| input | -0.7991 | 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