HEADER VIRAL PROTEIN/IMMUNE SYSTEM 21-JUN-24 9CCJ TITLE DISSECTING HUMAN MONOCLONAL ANTIBODY RESPONSES FROM MRNA AND PROTEIN- TITLE 2 BASED BOOSTER VACCINATIONS AGAINST XBB1.5 SARS-COV-2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: M2 FAB HEAVY CHAIN; COMPND 3 CHAIN: H; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: M2 FAB LIGHT CHAIN; COMPND 7 CHAIN: L; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: SPIKE GLYCOPROTEIN; COMPND 11 CHAIN: A; COMPND 12 SYNONYM: S GLYCOPROTEIN,E2,PEPLOMER PROTEIN; COMPND 13 ENGINEERED: YES; COMPND 14 OTHER_DETAILS: VARIANT XBB1.5 ON A HEXAPRO BACKGROUND SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_TAXID: 9606; SOURCE 4 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 8 ORGANISM_TAXID: 9606; SOURCE 9 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 10 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 11 MOL_ID: 3; SOURCE 12 ORGANISM_SCIENTIFIC: SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS SOURCE 13 2; SOURCE 14 ORGANISM_COMMON: SARS-COV-2, 2019-NCOV, COVID-19 VIRUS; SOURCE 15 ORGANISM_TAXID: 2697049; SOURCE 16 GENE: S, 2; SOURCE 17 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 18 EXPRESSION_SYSTEM_TAXID: 9606 KEYWDS SARS-COV-2, ANTIBODY, NTD, IMMUNE SYSTEM, VIRUS LIKE PARTICLE, VIRAL KEYWDS 2 PROTEIN-IMMUNE SYSTEM COMPLEX EXPDTA ELECTRON MICROSCOPY AUTHOR G.BAJIC,A.CIVLJAK REVDAT 1 12-MAR-25 9CCJ 0 JRNL AUTH R.F.FANTIN,J.J.CLARK,H.COHN,D.JAISWAL,B.BOZARTH,A.CIVLJAK, JRNL AUTH 2 V.RAO,I.LOBO,J.R.NARDULLI,K.SRIVASTAVA,J.YONG, JRNL AUTH 3 R.ANDREATA-SANTOS,K.BUSHFIELD,E.S.LEE,G.SINGH, JRNL AUTH 4 S.H.KLEINSTEIN,F.KRAMMER,V.SIMON,G.BAJIC,C.H.COELHO JRNL TITL DISSECTING HUMAN MONOCLONAL ANTIBODY RESPONSES FROM MRNA- JRNL TITL 2 AND PROTEIN-BASED XBB.1.5 COVID-19 MONOVALENT VACCINES. JRNL REF BIORXIV 2024 JRNL REFN ISSN 2692-8205 JRNL PMID 39071292 JRNL DOI 10.1101/2024.07.15.602781 REMARK 2 REMARK 2 RESOLUTION. 2.37 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : PHENIX REMARK 3 RECONSTRUCTION SCHEMA : NULL REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : NULL REMARK 3 REFINEMENT SPACE : NULL REMARK 3 REFINEMENT PROTOCOL : NULL REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 2.370 REMARK 3 NUMBER OF PARTICLES : 298206 REMARK 3 CTF CORRECTION METHOD : NONE REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: NULL REMARK 4 REMARK 4 9CCJ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-JUL-24. REMARK 100 THE DEPOSITION ID IS D_1000284974. REMARK 245 REMARK 245 EXPERIMENTAL DETAILS REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE REMARK 245 SPECIMEN TYPE : NULL REMARK 245 REMARK 245 ELECTRON MICROSCOPE SAMPLE REMARK 245 SAMPLE TYPE : PARTICLE REMARK 245 PARTICLE TYPE : POINT REMARK 245 NAME OF SAMPLE : M2 FAB COMPLEXED WITH NTD ON REMARK 245 XBB1.5 SPIKE REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 2.00 REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 7.50 REMARK 245 SAMPLE DETAILS : NULL REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : NULL REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : TFS KRIOS REMARK 245 DETECTOR TYPE : GATAN K3 (6K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 600.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 2400.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : NULL REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 4988.30 REMARK 245 ILLUMINATION MODE : OTHER REMARK 245 NOMINAL MAGNIFICATION : NULL REMARK 245 CALIBRATED MAGNIFICATION : NULL REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 300 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: H, L, A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LYS H 133 REMARK 465 SER H 134 REMARK 465 THR H 135 REMARK 465 SER H 136 REMARK 465 GLY H 137 REMARK 465 GLY H 138 REMARK 465 GLU H 216 REMARK 465 PRO H 217 REMARK 465 LYS H 218 REMARK 465 SER H 219 REMARK 465 CYS H 220 REMARK 465 ASP H 221 REMARK 465 LYS H 222 REMARK 465 LYS L 186 REMARK 465 SER L 187 REMARK 465 HIS L 188 REMARK 465 ARG L 189 REMARK 465 PRO L 208 REMARK 465 THR L 209 REMARK 465 GLU L 210 REMARK 465 CYS L 211 REMARK 465 SER L 212 REMARK 465 MET A 173 REMARK 465 ASP A 174 REMARK 465 LEU A 175 REMARK 465 GLU A 176 REMARK 465 GLY A 177 REMARK 465 LYS A 178 REMARK 465 GLU A 179 REMARK 465 GLY A 180 REMARK 465 ASN A 181 REMARK 465 PHE A 182 REMARK 465 GLU A 209 REMARK 465 ARG A 210 REMARK 465 ASP A 211 REMARK 465 ILE A 303 REMARK 465 VAL A 304 REMARK 465 GLU A 305 REMARK 465 LYS A 306 REMARK 465 GLY A 307 REMARK 465 ILE A 308 REMARK 465 TYR A 309 REMARK 465 GLN A 310 REMARK 465 THR A 311 REMARK 465 SER A 312 REMARK 465 ASN A 313 REMARK 465 PHE A 314 REMARK 465 ARG A 315 REMARK 465 VAL A 316 REMARK 465 GLN A 317 REMARK 465 PRO A 318 REMARK 465 THR A 319 REMARK 465 GLU A 320 REMARK 465 SER A 321 REMARK 465 ILE A 322 REMARK 465 VAL A 323 REMARK 465 ARG A 324 REMARK 465 PHE A 325 REMARK 465 PRO A 326 REMARK 465 ASN A 327 REMARK 465 ILE A 328 REMARK 465 THR A 329 REMARK 465 ASN A 330 REMARK 465 LEU A 331 REMARK 465 CYS A 332 REMARK 465 PRO A 333 REMARK 465 PHE A 334 REMARK 465 HIS A 335 REMARK 465 GLU A 336 REMARK 465 VAL A 337 REMARK 465 PHE A 338 REMARK 465 ASN A 339 REMARK 465 ALA A 340 REMARK 465 THR A 341 REMARK 465 THR A 342 REMARK 465 PHE A 343 REMARK 465 ALA A 344 REMARK 465 SER A 345 REMARK 465 VAL A 346 REMARK 465 TYR A 347 REMARK 465 ALA A 348 REMARK 465 TRP A 349 REMARK 465 ASN A 350 REMARK 465 ARG A 351 REMARK 465 LYS A 352 REMARK 465 ARG A 353 REMARK 465 ILE A 354 REMARK 465 SER A 355 REMARK 465 ASN A 356 REMARK 465 CYS A 357 REMARK 465 VAL A 358 REMARK 465 ALA A 359 REMARK 465 ASP A 360 REMARK 465 TYR A 361 REMARK 465 SER A 362 REMARK 465 VAL A 363 REMARK 465 ILE A 364 REMARK 465 TYR A 365 REMARK 465 ASN A 366 REMARK 465 PHE A 367 REMARK 465 ALA A 368 REMARK 465 PRO A 369 REMARK 465 PHE A 370 REMARK 465 PHE A 371 REMARK 465 ALA A 372 REMARK 465 PHE A 373 REMARK 465 LYS A 374 REMARK 465 CYS A 375 REMARK 465 TYR A 376 REMARK 465 GLY A 377 REMARK 465 VAL A 378 REMARK 465 SER A 379 REMARK 465 PRO A 380 REMARK 465 THR A 381 REMARK 465 LYS A 382 REMARK 465 LEU A 383 REMARK 465 ASN A 384 REMARK 465 ASP A 385 REMARK 465 LEU A 386 REMARK 465 CYS A 387 REMARK 465 PHE A 388 REMARK 465 THR A 389 REMARK 465 ASN A 390 REMARK 465 VAL A 391 REMARK 465 TYR A 392 REMARK 465 ALA A 393 REMARK 465 ASP A 394 REMARK 465 SER A 395 REMARK 465 PHE A 396 REMARK 465 VAL A 397 REMARK 465 ILE A 398 REMARK 465 ARG A 399 REMARK 465 GLY A 400 REMARK 465 ASN A 401 REMARK 465 GLU A 402 REMARK 465 VAL A 403 REMARK 465 SER A 404 REMARK 465 GLN A 405 REMARK 465 ILE A 406 REMARK 465 ALA A 407 REMARK 465 PRO A 408 REMARK 465 GLY A 409 REMARK 465 GLN A 410 REMARK 465 THR A 411 REMARK 465 GLY A 412 REMARK 465 ASN A 413 REMARK 465 ILE A 414 REMARK 465 ALA A 415 REMARK 465 ASP A 416 REMARK 465 TYR A 417 REMARK 465 ASN A 418 REMARK 465 TYR A 419 REMARK 465 LYS A 420 REMARK 465 LEU A 421 REMARK 465 PRO A 422 REMARK 465 ASP A 423 REMARK 465 ASP A 424 REMARK 465 PHE A 425 REMARK 465 THR A 426 REMARK 465 GLY A 427 REMARK 465 CYS A 428 REMARK 465 VAL A 429 REMARK 465 ILE A 430 REMARK 465 ALA A 431 REMARK 465 TRP A 432 REMARK 465 ASN A 433 REMARK 465 SER A 434 REMARK 465 ASN A 435 REMARK 465 LYS A 436 REMARK 465 LEU A 437 REMARK 465 ASP A 438 REMARK 465 SER A 439 REMARK 465 LYS A 440 REMARK 465 PRO A 441 REMARK 465 SER A 442 REMARK 465 GLY A 443 REMARK 465 ASN A 444 REMARK 465 TYR A 445 REMARK 465 ASN A 446 REMARK 465 TYR A 447 REMARK 465 LEU A 448 REMARK 465 TYR A 449 REMARK 465 ARG A 450 REMARK 465 PHE A 451 REMARK 465 LEU A 452 REMARK 465 ARG A 453 REMARK 465 LYS A 454 REMARK 465 SER A 455 REMARK 465 LYS A 456 REMARK 465 LEU A 457 REMARK 465 LYS A 458 REMARK 465 PRO A 459 REMARK 465 PHE A 460 REMARK 465 GLU A 461 REMARK 465 ARG A 462 REMARK 465 ASP A 463 REMARK 465 ILE A 464 REMARK 465 SER A 465 REMARK 465 THR A 466 REMARK 465 GLU A 467 REMARK 465 ILE A 468 REMARK 465 TYR A 469 REMARK 465 GLN A 470 REMARK 465 VAL A 471 REMARK 465 GLY A 472 REMARK 465 ASN A 473 REMARK 465 LYS A 474 REMARK 465 PRO A 475 REMARK 465 CYS A 476 REMARK 465 ASN A 477 REMARK 465 GLY A 478 REMARK 465 VAL A 479 REMARK 465 ALA A 480 REMARK 465 GLY A 481 REMARK 465 PRO A 482 REMARK 465 ASN A 483 REMARK 465 CYS A 484 REMARK 465 TYR A 485 REMARK 465 SER A 486 REMARK 465 PRO A 487 REMARK 465 LEU A 488 REMARK 465 GLN A 489 REMARK 465 SER A 490 REMARK 465 TYR A 491 REMARK 465 GLY A 492 REMARK 465 PHE A 493 REMARK 465 ARG A 494 REMARK 465 PRO A 495 REMARK 465 THR A 496 REMARK 465 TYR A 497 REMARK 465 GLY A 498 REMARK 465 VAL A 499 REMARK 465 GLY A 500 REMARK 465 HIS A 501 REMARK 465 GLN A 502 REMARK 465 PRO A 503 REMARK 465 TYR A 504 REMARK 465 ARG A 505 REMARK 465 VAL A 506 REMARK 465 VAL A 507 REMARK 465 VAL A 508 REMARK 465 LEU A 509 REMARK 465 SER A 510 REMARK 465 PHE A 511 REMARK 465 GLU A 512 REMARK 465 LEU A 513 REMARK 465 LEU A 514 REMARK 465 HIS A 515 REMARK 465 ALA A 516 REMARK 465 PRO A 517 REMARK 465 ALA A 518 REMARK 465 THR A 519 REMARK 465 VAL A 520 REMARK 465 CYS A 521 REMARK 465 GLY A 522 REMARK 465 PRO A 523 REMARK 465 LYS A 524 REMARK 465 LYS A 525 REMARK 465 SER A 526 REMARK 465 THR A 527 REMARK 465 ASN A 528 REMARK 465 LEU A 529 REMARK 465 VAL A 530 REMARK 465 LYS A 531 REMARK 465 ASN A 532 REMARK 465 LYS A 533 REMARK 465 CYS A 534 REMARK 465 VAL A 535 REMARK 465 ASN A 536 REMARK 465 PHE A 537 REMARK 465 ASN A 538 REMARK 465 PHE A 539 REMARK 465 ASN A 540 REMARK 465 GLY A 541 REMARK 465 LEU A 542 REMARK 465 THR A 543 REMARK 465 GLY A 544 REMARK 465 THR A 545 REMARK 465 GLY A 546 REMARK 465 VAL A 547 REMARK 465 LEU A 548 REMARK 465 THR A 549 REMARK 465 GLU A 550 REMARK 465 SER A 551 REMARK 465 ASN A 552 REMARK 465 LYS A 553 REMARK 465 LYS A 554 REMARK 465 PHE A 555 REMARK 465 LEU A 556 REMARK 465 PRO A 557 REMARK 465 PHE A 558 REMARK 465 GLN A 559 REMARK 465 GLN A 560 REMARK 465 PHE A 561 REMARK 465 GLY A 562 REMARK 465 ARG A 563 REMARK 465 ASP A 564 REMARK 465 ILE A 565 REMARK 465 ALA A 566 REMARK 465 ASP A 567 REMARK 465 THR A 568 REMARK 465 THR A 569 REMARK 465 ASP A 570 REMARK 465 ALA A 571 REMARK 465 VAL A 572 REMARK 465 ARG A 573 REMARK 465 ASP A 574 REMARK 465 PRO A 575 REMARK 465 GLN A 576 REMARK 465 THR A 577 REMARK 465 LEU A 578 REMARK 465 GLU A 579 REMARK 465 ILE A 580 REMARK 465 LEU A 581 REMARK 465 ASP A 582 REMARK 465 ILE A 583 REMARK 465 THR A 584 REMARK 465 PRO A 585 REMARK 465 CYS A 586 REMARK 465 SER A 587 REMARK 465 PHE A 588 REMARK 465 GLY A 589 REMARK 465 GLY A 590 REMARK 465 VAL A 591 REMARK 465 SER A 592 REMARK 465 VAL A 593 REMARK 465 ILE A 594 REMARK 465 THR A 595 REMARK 465 PRO A 596 REMARK 465 GLY A 597 REMARK 465 THR A 598 REMARK 465 ASN A 599 REMARK 465 THR A 600 REMARK 465 SER A 601 REMARK 465 ASN A 602 REMARK 465 GLN A 603 REMARK 465 VAL A 604 REMARK 465 ALA A 605 REMARK 465 VAL A 606 REMARK 465 LEU A 607 REMARK 465 TYR A 608 REMARK 465 GLN A 609 REMARK 465 GLY A 610 REMARK 465 VAL A 611 REMARK 465 ASN A 612 REMARK 465 CYS A 613 REMARK 465 THR A 614 REMARK 465 GLU A 615 REMARK 465 VAL A 616 REMARK 465 PRO A 617 REMARK 465 VAL A 618 REMARK 465 ALA A 619 REMARK 465 ILE A 620 REMARK 465 HIS A 621 REMARK 465 ALA A 622 REMARK 465 ASP A 623 REMARK 465 GLN A 624 REMARK 465 LEU A 625 REMARK 465 THR A 626 REMARK 465 PRO A 627 REMARK 465 THR A 628 REMARK 465 TRP A 629 REMARK 465 ARG A 630 REMARK 465 VAL A 631 REMARK 465 TYR A 632 REMARK 465 SER A 633 REMARK 465 THR A 634 REMARK 465 GLY A 635 REMARK 465 SER A 636 REMARK 465 ASN A 637 REMARK 465 VAL A 638 REMARK 465 PHE A 639 REMARK 465 GLN A 640 REMARK 465 THR A 641 REMARK 465 ARG A 642 REMARK 465 ALA A 643 REMARK 465 GLY A 644 REMARK 465 CYS A 645 REMARK 465 LEU A 646 REMARK 465 ILE A 647 REMARK 465 GLY A 648 REMARK 465 ALA A 649 REMARK 465 GLU A 650 REMARK 465 TYR A 651 REMARK 465 VAL A 652 REMARK 465 ASN A 653 REMARK 465 ASN A 654 REMARK 465 SER A 655 REMARK 465 TYR A 656 REMARK 465 GLU A 657 REMARK 465 CYS A 658 REMARK 465 ASP A 659 REMARK 465 ILE A 660 REMARK 465 PRO A 661 REMARK 465 ILE A 662 REMARK 465 GLY A 663 REMARK 465 ALA A 664 REMARK 465 GLY A 665 REMARK 465 ILE A 666 REMARK 465 CYS A 667 REMARK 465 ALA A 668 REMARK 465 SER A 669 REMARK 465 TYR A 670 REMARK 465 GLN A 671 REMARK 465 THR A 672 REMARK 465 GLN A 673 REMARK 465 THR A 674 REMARK 465 LYS A 675 REMARK 465 SER A 676 REMARK 465 HIS A 677 REMARK 465 GLY A 678 REMARK 465 SER A 679 REMARK 465 ALA A 680 REMARK 465 SER A 681 REMARK 465 SER A 682 REMARK 465 VAL A 683 REMARK 465 ALA A 684 REMARK 465 SER A 685 REMARK 465 GLN A 686 REMARK 465 SER A 687 REMARK 465 ILE A 688 REMARK 465 ILE A 689 REMARK 465 ALA A 690 REMARK 465 TYR A 691 REMARK 465 THR A 692 REMARK 465 MET A 693 REMARK 465 SER A 694 REMARK 465 LEU A 695 REMARK 465 GLY A 696 REMARK 465 ALA A 697 REMARK 465 GLU A 698 REMARK 465 ASN A 699 REMARK 465 SER A 700 REMARK 465 VAL A 701 REMARK 465 ALA A 702 REMARK 465 TYR A 703 REMARK 465 SER A 704 REMARK 465 ASN A 705 REMARK 465 ASN A 706 REMARK 465 SER A 707 REMARK 465 ILE A 708 REMARK 465 ALA A 709 REMARK 465 ILE A 710 REMARK 465 PRO A 711 REMARK 465 THR A 712 REMARK 465 ASN A 713 REMARK 465 PHE A 714 REMARK 465 THR A 715 REMARK 465 ILE A 716 REMARK 465 SER A 717 REMARK 465 VAL A 718 REMARK 465 THR A 719 REMARK 465 THR A 720 REMARK 465 GLU A 721 REMARK 465 ILE A 722 REMARK 465 LEU A 723 REMARK 465 PRO A 724 REMARK 465 VAL A 725 REMARK 465 SER A 726 REMARK 465 MET A 727 REMARK 465 THR A 728 REMARK 465 LYS A 729 REMARK 465 THR A 730 REMARK 465 SER A 731 REMARK 465 VAL A 732 REMARK 465 ASP A 733 REMARK 465 CYS A 734 REMARK 465 THR A 735 REMARK 465 MET A 736 REMARK 465 TYR A 737 REMARK 465 ILE A 738 REMARK 465 CYS A 739 REMARK 465 GLY A 740 REMARK 465 ASP A 741 REMARK 465 SER A 742 REMARK 465 THR A 743 REMARK 465 GLU A 744 REMARK 465 CYS A 745 REMARK 465 SER A 746 REMARK 465 ASN A 747 REMARK 465 LEU A 748 REMARK 465 LEU A 749 REMARK 465 LEU A 750 REMARK 465 GLN A 751 REMARK 465 TYR A 752 REMARK 465 GLY A 753 REMARK 465 SER A 754 REMARK 465 PHE A 755 REMARK 465 CYS A 756 REMARK 465 THR A 757 REMARK 465 GLN A 758 REMARK 465 LEU A 759 REMARK 465 LYS A 760 REMARK 465 ARG A 761 REMARK 465 ALA A 762 REMARK 465 LEU A 763 REMARK 465 THR A 764 REMARK 465 GLY A 765 REMARK 465 ILE A 766 REMARK 465 ALA A 767 REMARK 465 VAL A 768 REMARK 465 GLU A 769 REMARK 465 GLN A 770 REMARK 465 ASP A 771 REMARK 465 LYS A 772 REMARK 465 ASN A 773 REMARK 465 THR A 774 REMARK 465 GLN A 775 REMARK 465 GLU A 776 REMARK 465 VAL A 777 REMARK 465 PHE A 778 REMARK 465 ALA A 779 REMARK 465 GLN A 780 REMARK 465 VAL A 781 REMARK 465 LYS A 782 REMARK 465 GLN A 783 REMARK 465 ILE A 784 REMARK 465 TYR A 785 REMARK 465 LYS A 786 REMARK 465 THR A 787 REMARK 465 PRO A 788 REMARK 465 PRO A 789 REMARK 465 ILE A 790 REMARK 465 LYS A 791 REMARK 465 TYR A 792 REMARK 465 PHE A 793 REMARK 465 GLY A 794 REMARK 465 GLY A 795 REMARK 465 PHE A 796 REMARK 465 ASN A 797 REMARK 465 PHE A 798 REMARK 465 SER A 799 REMARK 465 GLN A 800 REMARK 465 ILE A 801 REMARK 465 LEU A 802 REMARK 465 PRO A 803 REMARK 465 ASP A 804 REMARK 465 PRO A 805 REMARK 465 SER A 806 REMARK 465 LYS A 807 REMARK 465 PRO A 808 REMARK 465 SER A 809 REMARK 465 LYS A 810 REMARK 465 ARG A 811 REMARK 465 SER A 812 REMARK 465 PRO A 813 REMARK 465 ILE A 814 REMARK 465 GLU A 815 REMARK 465 ASP A 816 REMARK 465 LEU A 817 REMARK 465 LEU A 818 REMARK 465 PHE A 819 REMARK 465 ASN A 820 REMARK 465 LYS A 821 REMARK 465 VAL A 822 REMARK 465 THR A 823 REMARK 465 LEU A 824 REMARK 465 ALA A 825 REMARK 465 ASP A 826 REMARK 465 ALA A 827 REMARK 465 GLY A 828 REMARK 465 PHE A 829 REMARK 465 ILE A 830 REMARK 465 LYS A 831 REMARK 465 GLN A 832 REMARK 465 TYR A 833 REMARK 465 GLY A 834 REMARK 465 ASP A 835 REMARK 465 CYS A 836 REMARK 465 LEU A 837 REMARK 465 GLY A 838 REMARK 465 ASP A 839 REMARK 465 ILE A 840 REMARK 465 ALA A 841 REMARK 465 ALA A 842 REMARK 465 ARG A 843 REMARK 465 ASP A 844 REMARK 465 LEU A 845 REMARK 465 ILE A 846 REMARK 465 CYS A 847 REMARK 465 ALA A 848 REMARK 465 GLN A 849 REMARK 465 LYS A 850 REMARK 465 PHE A 851 REMARK 465 ASN A 852 REMARK 465 GLY A 853 REMARK 465 LEU A 854 REMARK 465 THR A 855 REMARK 465 VAL A 856 REMARK 465 LEU A 857 REMARK 465 PRO A 858 REMARK 465 PRO A 859 REMARK 465 LEU A 860 REMARK 465 LEU A 861 REMARK 465 THR A 862 REMARK 465 ASP A 863 REMARK 465 GLU A 864 REMARK 465 MET A 865 REMARK 465 ILE A 866 REMARK 465 ALA A 867 REMARK 465 GLN A 868 REMARK 465 TYR A 869 REMARK 465 THR A 870 REMARK 465 SER A 871 REMARK 465 ALA A 872 REMARK 465 LEU A 873 REMARK 465 LEU A 874 REMARK 465 ALA A 875 REMARK 465 GLY A 876 REMARK 465 THR A 877 REMARK 465 ILE A 878 REMARK 465 THR A 879 REMARK 465 SER A 880 REMARK 465 GLY A 881 REMARK 465 TRP A 882 REMARK 465 THR A 883 REMARK 465 PHE A 884 REMARK 465 GLY A 885 REMARK 465 ALA A 886 REMARK 465 GLY A 887 REMARK 465 PRO A 888 REMARK 465 ALA A 889 REMARK 465 LEU A 890 REMARK 465 GLN A 891 REMARK 465 ILE A 892 REMARK 465 PRO A 893 REMARK 465 PHE A 894 REMARK 465 PRO A 895 REMARK 465 MET A 896 REMARK 465 GLN A 897 REMARK 465 MET A 898 REMARK 465 ALA A 899 REMARK 465 TYR A 900 REMARK 465 ARG A 901 REMARK 465 PHE A 902 REMARK 465 ASN A 903 REMARK 465 GLY A 904 REMARK 465 ILE A 905 REMARK 465 GLY A 906 REMARK 465 VAL A 907 REMARK 465 THR A 908 REMARK 465 GLN A 909 REMARK 465 ASN A 910 REMARK 465 VAL A 911 REMARK 465 LEU A 912 REMARK 465 TYR A 913 REMARK 465 GLU A 914 REMARK 465 ASN A 915 REMARK 465 GLN A 916 REMARK 465 LYS A 917 REMARK 465 LEU A 918 REMARK 465 ILE A 919 REMARK 465 ALA A 920 REMARK 465 ASN A 921 REMARK 465 GLN A 922 REMARK 465 PHE A 923 REMARK 465 ASN A 924 REMARK 465 SER A 925 REMARK 465 ALA A 926 REMARK 465 ILE A 927 REMARK 465 GLY A 928 REMARK 465 LYS A 929 REMARK 465 ILE A 930 REMARK 465 GLN A 931 REMARK 465 ASP A 932 REMARK 465 SER A 933 REMARK 465 LEU A 934 REMARK 465 SER A 935 REMARK 465 SER A 936 REMARK 465 THR A 937 REMARK 465 PRO A 938 REMARK 465 SER A 939 REMARK 465 ALA A 940 REMARK 465 LEU A 941 REMARK 465 GLY A 942 REMARK 465 LYS A 943 REMARK 465 LEU A 944 REMARK 465 GLN A 945 REMARK 465 ASP A 946 REMARK 465 VAL A 947 REMARK 465 VAL A 948 REMARK 465 ASN A 949 REMARK 465 HIS A 950 REMARK 465 ASN A 951 REMARK 465 ALA A 952 REMARK 465 GLN A 953 REMARK 465 ALA A 954 REMARK 465 LEU A 955 REMARK 465 ASN A 956 REMARK 465 THR A 957 REMARK 465 LEU A 958 REMARK 465 VAL A 959 REMARK 465 LYS A 960 REMARK 465 GLN A 961 REMARK 465 LEU A 962 REMARK 465 SER A 963 REMARK 465 SER A 964 REMARK 465 LYS A 965 REMARK 465 PHE A 966 REMARK 465 GLY A 967 REMARK 465 ALA A 968 REMARK 465 ILE A 969 REMARK 465 SER A 970 REMARK 465 SER A 971 REMARK 465 VAL A 972 REMARK 465 LEU A 973 REMARK 465 ASN A 974 REMARK 465 ASP A 975 REMARK 465 ILE A 976 REMARK 465 LEU A 977 REMARK 465 SER A 978 REMARK 465 ARG A 979 REMARK 465 LEU A 980 REMARK 465 ASP A 981 REMARK 465 PRO A 982 REMARK 465 PRO A 983 REMARK 465 GLU A 984 REMARK 465 ALA A 985 REMARK 465 GLU A 986 REMARK 465 VAL A 987 REMARK 465 GLN A 988 REMARK 465 ILE A 989 REMARK 465 ASP A 990 REMARK 465 ARG A 991 REMARK 465 LEU A 992 REMARK 465 ILE A 993 REMARK 465 THR A 994 REMARK 465 GLY A 995 REMARK 465 ARG A 996 REMARK 465 LEU A 997 REMARK 465 GLN A 998 REMARK 465 SER A 999 REMARK 465 LEU A 1000 REMARK 465 GLN A 1001 REMARK 465 THR A 1002 REMARK 465 TYR A 1003 REMARK 465 VAL A 1004 REMARK 465 THR A 1005 REMARK 465 GLN A 1006 REMARK 465 GLN A 1007 REMARK 465 LEU A 1008 REMARK 465 ILE A 1009 REMARK 465 ARG A 1010 REMARK 465 ALA A 1011 REMARK 465 ALA A 1012 REMARK 465 GLU A 1013 REMARK 465 ILE A 1014 REMARK 465 ARG A 1015 REMARK 465 ALA A 1016 REMARK 465 SER A 1017 REMARK 465 ALA A 1018 REMARK 465 ASN A 1019 REMARK 465 LEU A 1020 REMARK 465 ALA A 1021 REMARK 465 ALA A 1022 REMARK 465 THR A 1023 REMARK 465 LYS A 1024 REMARK 465 MET A 1025 REMARK 465 SER A 1026 REMARK 465 GLU A 1027 REMARK 465 CYS A 1028 REMARK 465 VAL A 1029 REMARK 465 LEU A 1030 REMARK 465 GLY A 1031 REMARK 465 GLN A 1032 REMARK 465 SER A 1033 REMARK 465 LYS A 1034 REMARK 465 ARG A 1035 REMARK 465 VAL A 1036 REMARK 465 ASP A 1037 REMARK 465 PHE A 1038 REMARK 465 CYS A 1039 REMARK 465 GLY A 1040 REMARK 465 LYS A 1041 REMARK 465 GLY A 1042 REMARK 465 TYR A 1043 REMARK 465 HIS A 1044 REMARK 465 LEU A 1045 REMARK 465 MET A 1046 REMARK 465 SER A 1047 REMARK 465 PHE A 1048 REMARK 465 PRO A 1049 REMARK 465 GLN A 1050 REMARK 465 SER A 1051 REMARK 465 ALA A 1052 REMARK 465 PRO A 1053 REMARK 465 HIS A 1054 REMARK 465 GLY A 1055 REMARK 465 VAL A 1056 REMARK 465 VAL A 1057 REMARK 465 PHE A 1058 REMARK 465 LEU A 1059 REMARK 465 HIS A 1060 REMARK 465 VAL A 1061 REMARK 465 THR A 1062 REMARK 465 TYR A 1063 REMARK 465 VAL A 1064 REMARK 465 PRO A 1065 REMARK 465 ALA A 1066 REMARK 465 GLN A 1067 REMARK 465 GLU A 1068 REMARK 465 LYS A 1069 REMARK 465 ASN A 1070 REMARK 465 PHE A 1071 REMARK 465 THR A 1072 REMARK 465 THR A 1073 REMARK 465 ALA A 1074 REMARK 465 PRO A 1075 REMARK 465 ALA A 1076 REMARK 465 ILE A 1077 REMARK 465 CYS A 1078 REMARK 465 HIS A 1079 REMARK 465 ASP A 1080 REMARK 465 GLY A 1081 REMARK 465 LYS A 1082 REMARK 465 ALA A 1083 REMARK 465 HIS A 1084 REMARK 465 PHE A 1085 REMARK 465 PRO A 1086 REMARK 465 ARG A 1087 REMARK 465 GLU A 1088 REMARK 465 GLY A 1089 REMARK 465 VAL A 1090 REMARK 465 PHE A 1091 REMARK 465 VAL A 1092 REMARK 465 SER A 1093 REMARK 465 ASN A 1094 REMARK 465 GLY A 1095 REMARK 465 THR A 1096 REMARK 465 HIS A 1097 REMARK 465 TRP A 1098 REMARK 465 PHE A 1099 REMARK 465 VAL A 1100 REMARK 465 THR A 1101 REMARK 465 GLN A 1102 REMARK 465 ARG A 1103 REMARK 465 ASN A 1104 REMARK 465 PHE A 1105 REMARK 465 TYR A 1106 REMARK 465 GLU A 1107 REMARK 465 PRO A 1108 REMARK 465 GLN A 1109 REMARK 465 ILE A 1110 REMARK 465 ILE A 1111 REMARK 465 THR A 1112 REMARK 465 THR A 1113 REMARK 465 ASP A 1114 REMARK 465 ASN A 1115 REMARK 465 THR A 1116 REMARK 465 PHE A 1117 REMARK 465 VAL A 1118 REMARK 465 SER A 1119 REMARK 465 GLY A 1120 REMARK 465 ASN A 1121 REMARK 465 CYS A 1122 REMARK 465 ASP A 1123 REMARK 465 VAL A 1124 REMARK 465 VAL A 1125 REMARK 465 ILE A 1126 REMARK 465 GLY A 1127 REMARK 465 ILE A 1128 REMARK 465 VAL A 1129 REMARK 465 ASN A 1130 REMARK 465 ASN A 1131 REMARK 465 THR A 1132 REMARK 465 VAL A 1133 REMARK 465 TYR A 1134 REMARK 465 ASP A 1135 REMARK 465 PRO A 1136 REMARK 465 LEU A 1137 REMARK 465 GLN A 1138 REMARK 465 PRO A 1139 REMARK 465 GLU A 1140 REMARK 465 LEU A 1141 REMARK 465 ASP A 1142 REMARK 465 SER A 1143 REMARK 465 PHE A 1144 REMARK 465 LYS A 1145 REMARK 465 GLU A 1146 REMARK 465 GLU A 1147 REMARK 465 LEU A 1148 REMARK 465 ASP A 1149 REMARK 465 LYS A 1150 REMARK 465 TYR A 1151 REMARK 465 PHE A 1152 REMARK 465 LYS A 1153 REMARK 465 ASN A 1154 REMARK 465 HIS A 1155 REMARK 465 THR A 1156 REMARK 465 SER A 1157 REMARK 465 PRO A 1158 REMARK 465 ASP A 1159 REMARK 465 VAL A 1160 REMARK 465 ASP A 1161 REMARK 465 LEU A 1162 REMARK 465 GLY A 1163 REMARK 465 ASP A 1164 REMARK 465 ILE A 1165 REMARK 465 SER A 1166 REMARK 465 GLY A 1167 REMARK 465 ILE A 1168 REMARK 465 ASN A 1169 REMARK 465 ALA A 1170 REMARK 465 SER A 1171 REMARK 465 VAL A 1172 REMARK 465 VAL A 1173 REMARK 465 ASN A 1174 REMARK 465 ILE A 1175 REMARK 465 GLN A 1176 REMARK 465 LYS A 1177 REMARK 465 GLU A 1178 REMARK 465 ILE A 1179 REMARK 465 ASP A 1180 REMARK 465 ARG A 1181 REMARK 465 LEU A 1182 REMARK 465 ASN A 1183 REMARK 465 GLU A 1184 REMARK 465 VAL A 1185 REMARK 465 ALA A 1186 REMARK 465 LYS A 1187 REMARK 465 ASN A 1188 REMARK 465 LEU A 1189 REMARK 465 ASN A 1190 REMARK 465 GLU A 1191 REMARK 465 SER A 1192 REMARK 465 LEU A 1193 REMARK 465 ILE A 1194 REMARK 465 ASP A 1195 REMARK 465 LEU A 1196 REMARK 465 GLN A 1197 REMARK 465 GLU A 1198 REMARK 465 LEU A 1199 REMARK 465 GLY A 1200 REMARK 465 LYS A 1201 REMARK 465 TYR A 1202 REMARK 465 GLU A 1203 REMARK 465 GLN A 1204 REMARK 465 GLY A 1205 REMARK 465 SER A 1206 REMARK 465 GLY A 1207 REMARK 465 TYR A 1208 REMARK 465 ILE A 1209 REMARK 465 PRO A 1210 REMARK 465 GLU A 1211 REMARK 465 ALA A 1212 REMARK 465 PRO A 1213 REMARK 465 ARG A 1214 REMARK 465 ASP A 1215 REMARK 465 GLY A 1216 REMARK 465 GLN A 1217 REMARK 465 ALA A 1218 REMARK 465 TYR A 1219 REMARK 465 VAL A 1220 REMARK 465 ARG A 1221 REMARK 465 LYS A 1222 REMARK 465 ASP A 1223 REMARK 465 GLY A 1224 REMARK 465 GLU A 1225 REMARK 465 TRP A 1226 REMARK 465 VAL A 1227 REMARK 465 LEU A 1228 REMARK 465 LEU A 1229 REMARK 465 SER A 1230 REMARK 465 THR A 1231 REMARK 465 PHE A 1232 REMARK 465 LEU A 1233 REMARK 465 GLY A 1234 REMARK 465 ARG A 1235 REMARK 465 SER A 1236 REMARK 465 LEU A 1237 REMARK 465 GLU A 1238 REMARK 465 VAL A 1239 REMARK 465 LEU A 1240 REMARK 465 PHE A 1241 REMARK 465 GLN A 1242 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU H 14 -169.82 -127.01 REMARK 500 ALA H 129 75.15 44.34 REMARK 500 SER H 160 -95.75 57.63 REMARK 500 THR H 195 51.49 -90.91 REMARK 500 SER L 2 -6.23 69.04 REMARK 500 ASP L 3 115.34 -160.68 REMARK 500 ASP L 50 -18.51 74.64 REMARK 500 ASN L 51 8.96 -151.65 REMARK 500 THR A 30 14.55 -142.39 REMARK 500 LYS A 38 32.84 -97.41 REMARK 500 ASP A 50 -163.34 -161.33 REMARK 500 ASN A 84 -133.21 56.14 REMARK 500 SER A 95 47.70 -92.46 REMARK 500 ALA A 120 -12.01 61.46 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-45444 RELATED DB: EMDB REMARK 900 DISSECTING HUMAN MONOCLONAL ANTIBODY RESPONSES FROM MRNA AND REMARK 900 PROTEIN-BASED BOOSTER VACCINATIONS AGAINST XBB1.5 SARS-COV-2 DBREF 9CCJ H 1 222 PDB 9CCJ 9CCJ 1 222 DBREF 9CCJ L 1 212 PDB 9CCJ 9CCJ 1 212 DBREF 9CCJ A 14 1204 UNP P0DTC2 SPIKE_SARS2 14 1208 SEQADV 9CCJ ILE A 19 UNP P0DTC2 THR 19 VARIANT SEQADV 9CCJ A UNP P0DTC2 LEU 24 VARIANT SEQADV 9CCJ A UNP P0DTC2 PRO 25 VARIANT SEQADV 9CCJ A UNP P0DTC2 PRO 26 VARIANT SEQADV 9CCJ SER A 24 UNP P0DTC2 ALA 27 VARIANT SEQADV 9CCJ ALA A 80 UNP P0DTC2 VAL 83 VARIANT SEQADV 9CCJ ASP A 139 UNP P0DTC2 GLY 142 VARIANT SEQADV 9CCJ A UNP P0DTC2 TYR 144 VARIANT SEQADV 9CCJ GLN A 142 UNP P0DTC2 HIS 146 VARIANT SEQADV 9CCJ GLU A 179 UNP P0DTC2 GLN 183 VARIANT SEQADV 9CCJ GLU A 209 UNP P0DTC2 VAL 213 VARIANT SEQADV 9CCJ VAL A 248 UNP P0DTC2 GLY 252 VARIANT SEQADV 9CCJ ILE A 303 UNP P0DTC2 THR 307 CONFLICT SEQADV 9CCJ HIS A 335 UNP P0DTC2 GLY 339 VARIANT SEQADV 9CCJ THR A 342 UNP P0DTC2 ARG 346 VARIANT SEQADV 9CCJ ILE A 364 UNP P0DTC2 LEU 368 VARIANT SEQADV 9CCJ PHE A 367 UNP P0DTC2 SER 371 VARIANT SEQADV 9CCJ PRO A 369 UNP P0DTC2 SER 373 VARIANT SEQADV 9CCJ PHE A 371 UNP P0DTC2 SER 375 VARIANT SEQADV 9CCJ ALA A 372 UNP P0DTC2 THR 376 VARIANT SEQADV 9CCJ ASN A 401 UNP P0DTC2 ASP 405 VARIANT SEQADV 9CCJ SER A 404 UNP P0DTC2 ARG 408 VARIANT SEQADV 9CCJ ASN A 413 UNP P0DTC2 LYS 417 VARIANT SEQADV 9CCJ LYS A 436 UNP P0DTC2 ASN 440 VARIANT SEQADV 9CCJ PRO A 441 UNP P0DTC2 VAL 445 VARIANT SEQADV 9CCJ SER A 442 UNP P0DTC2 GLY 446 VARIANT SEQADV 9CCJ PHE A 451 UNP P0DTC2 LEU 455 CONFLICT SEQADV 9CCJ LEU A 452 UNP P0DTC2 PHE 456 CONFLICT SEQADV 9CCJ LYS A 456 UNP P0DTC2 ASN 460 VARIANT SEQADV 9CCJ VAL A 471 UNP P0DTC2 ALA 475 CONFLICT SEQADV 9CCJ ASN A 473 UNP P0DTC2 SER 477 VARIANT SEQADV 9CCJ LYS A 474 UNP P0DTC2 THR 478 VARIANT SEQADV 9CCJ ALA A 480 UNP P0DTC2 GLU 484 VARIANT SEQADV 9CCJ PRO A 482 UNP P0DTC2 PHE 486 VARIANT SEQADV 9CCJ SER A 486 UNP P0DTC2 PHE 490 VARIANT SEQADV 9CCJ ARG A 494 UNP P0DTC2 GLN 498 VARIANT SEQADV 9CCJ TYR A 497 UNP P0DTC2 ASN 501 VARIANT SEQADV 9CCJ HIS A 501 UNP P0DTC2 TYR 505 VARIANT SEQADV 9CCJ GLY A 610 UNP P0DTC2 ASP 614 VARIANT SEQADV 9CCJ TYR A 651 UNP P0DTC2 HIS 655 VARIANT SEQADV 9CCJ LYS A 675 UNP P0DTC2 ASN 679 VARIANT SEQADV 9CCJ HIS A 677 UNP P0DTC2 PRO 681 VARIANT SEQADV 9CCJ GLY A 678 UNP P0DTC2 ARG 682 ENGINEERED MUTATION SEQADV 9CCJ SER A 679 UNP P0DTC2 ARG 683 ENGINEERED MUTATION SEQADV 9CCJ SER A 681 UNP P0DTC2 ARG 685 ENGINEERED MUTATION SEQADV 9CCJ LYS A 760 UNP P0DTC2 ASN 764 VARIANT SEQADV 9CCJ TYR A 792 UNP P0DTC2 ASP 796 VARIANT SEQADV 9CCJ PRO A 813 UNP P0DTC2 PHE 817 ENGINEERED MUTATION SEQADV 9CCJ PRO A 888 UNP P0DTC2 ALA 892 ENGINEERED MUTATION SEQADV 9CCJ PRO A 895 UNP P0DTC2 ALA 899 ENGINEERED MUTATION SEQADV 9CCJ PRO A 938 UNP P0DTC2 ALA 942 ENGINEERED MUTATION SEQADV 9CCJ HIS A 950 UNP P0DTC2 GLN 954 VARIANT SEQADV 9CCJ LYS A 965 UNP P0DTC2 ASN 969 VARIANT SEQADV 9CCJ PRO A 982 UNP P0DTC2 LYS 986 ENGINEERED MUTATION SEQADV 9CCJ PRO A 983 UNP P0DTC2 VAL 987 ENGINEERED MUTATION SEQADV 9CCJ GLY A 1205 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ SER A 1206 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ GLY A 1207 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ TYR A 1208 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ ILE A 1209 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ PRO A 1210 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ GLU A 1211 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ ALA A 1212 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ PRO A 1213 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ ARG A 1214 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ ASP A 1215 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ GLY A 1216 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ GLN A 1217 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ ALA A 1218 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ TYR A 1219 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ VAL A 1220 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ ARG A 1221 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ LYS A 1222 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ ASP A 1223 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ GLY A 1224 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ GLU A 1225 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ TRP A 1226 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ VAL A 1227 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ LEU A 1228 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ LEU A 1229 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ SER A 1230 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ THR A 1231 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ PHE A 1232 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ LEU A 1233 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ GLY A 1234 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ ARG A 1235 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ SER A 1236 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ LEU A 1237 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ GLU A 1238 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ VAL A 1239 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ LEU A 1240 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ PHE A 1241 UNP P0DTC2 EXPRESSION TAG SEQADV 9CCJ GLN A 1242 UNP P0DTC2 EXPRESSION TAG SEQRES 1 H 222 GLN LEU GLN GLU SER GLY PRO GLY LEU VAL LYS PRO SER SEQRES 2 H 222 GLU ILE LEU SER LEU THR CYS SER VAL SER GLY GLY SER SEQRES 3 H 222 ILE ASN THR ASN MET TYR TYR TRP GLY TRP ILE ARG GLN SEQRES 4 H 222 PRO PRO GLY LYS GLY LEU GLU TRP ILE GLY SER ILE TYR SEQRES 5 H 222 TYR SER GLY THR THR TYR TYR ASN PRO SER LEU LYS SER SEQRES 6 H 222 ARG VAL THR MET SER VAL ASP THR SER GLU ASN GLN PHE SEQRES 7 H 222 SER LEU LYS LEU THR SER VAL THR ALA ALA ASP THR SER SEQRES 8 H 222 VAL TYR PHE CYS ALA ARG LEU PRO LEU GLY GLU ARG ILE SEQRES 9 H 222 ASP TYR TRP GLY ARG GLY THR LEU VAL THR VAL SER SER SEQRES 10 H 222 ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SEQRES 11 H 222 SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY SEQRES 12 H 222 CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SEQRES 13 H 222 SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR SEQRES 14 H 222 PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SEQRES 15 H 222 SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR SEQRES 16 H 222 GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN SEQRES 17 H 222 THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER CYS ASP SEQRES 18 H 222 LYS SEQRES 1 L 212 SER SER ASP LEU THR GLN PRO PRO SER VAL SER VAL SER SEQRES 2 L 212 PRO GLY GLN THR ALA SER ILE THR CYS SER GLY ASN LYS SEQRES 3 L 212 LEU GLY ASP THR TYR VAL PHE TRP TYR GLN GLN LYS PRO SEQRES 4 L 212 GLY GLN SER PRO VAL ALA VAL ILE ASN GLU ASP ASN LYS SEQRES 5 L 212 ARG PRO SER GLY ILE PRO GLU ARG PHE SER GLY SER ASN SEQRES 6 L 212 SER GLY ASN THR ALA THR LEU THR ILE SER GLY THR GLN SEQRES 7 L 212 THR MET ASP GLU ALA ASP TYR TYR CYS GLN VAL TRP ASP SEQRES 8 L 212 SER SER GLN MET VAL PHE GLY GLY GLY THR LYS LEU THR SEQRES 9 L 212 VAL LEU GLY GLN PRO LYS ALA ALA PRO SER VAL THR LEU SEQRES 10 L 212 PHE PRO PRO SER SER GLU GLU LEU GLN ALA ASN LYS ALA SEQRES 11 L 212 THR LEU VAL CYS LEU ILE SER ASP PHE TYR PRO GLY ALA SEQRES 12 L 212 VAL THR VAL ALA TRP LYS ALA ASP SER SER PRO VAL LYS SEQRES 13 L 212 ALA GLY VAL GLU THR THR THR PRO SER LYS GLN SER ASN SEQRES 14 L 212 ASN LYS TYR ALA ALA SER SER TYR LEU SER LEU THR PRO SEQRES 15 L 212 GLU GLN TRP LYS SER HIS ARG SER TYR SER CYS GLN VAL SEQRES 16 L 212 THR HIS GLU GLY SER THR VAL GLU LYS THR VAL ALA PRO SEQRES 17 L 212 THR GLU CYS SER SEQRES 1 A 1229 PCA CYS VAL ASN LEU ILE THR ARG THR GLN SER TYR THR SEQRES 2 A 1229 ASN SER PHE THR ARG GLY VAL TYR TYR PRO ASP LYS VAL SEQRES 3 A 1229 PHE ARG SER SER VAL LEU HIS SER THR GLN ASP LEU PHE SEQRES 4 A 1229 LEU PRO PHE PHE SER ASN VAL THR TRP PHE HIS ALA ILE SEQRES 5 A 1229 HIS VAL SER GLY THR ASN GLY THR LYS ARG PHE ASP ASN SEQRES 6 A 1229 PRO ALA LEU PRO PHE ASN ASP GLY VAL TYR PHE ALA SER SEQRES 7 A 1229 THR GLU LYS SER ASN ILE ILE ARG GLY TRP ILE PHE GLY SEQRES 8 A 1229 THR THR LEU ASP SER LYS THR GLN SER LEU LEU ILE VAL SEQRES 9 A 1229 ASN ASN ALA THR ASN VAL VAL ILE LYS VAL CYS GLU PHE SEQRES 10 A 1229 GLN PHE CYS ASN ASP PRO PHE LEU ASP VAL TYR GLN LYS SEQRES 11 A 1229 ASN ASN LYS SER TRP MET GLU SER GLU PHE ARG VAL TYR SEQRES 12 A 1229 SER SER ALA ASN ASN CYS THR PHE GLU TYR VAL SER GLN SEQRES 13 A 1229 PRO PHE LEU MET ASP LEU GLU GLY LYS GLU GLY ASN PHE SEQRES 14 A 1229 LYS ASN LEU ARG GLU PHE VAL PHE LYS ASN ILE ASP GLY SEQRES 15 A 1229 TYR PHE LYS ILE TYR SER LYS HIS THR PRO ILE ASN LEU SEQRES 16 A 1229 GLU ARG ASP LEU PRO GLN GLY PHE SER ALA LEU GLU PRO SEQRES 17 A 1229 LEU VAL ASP LEU PRO ILE GLY ILE ASN ILE THR ARG PHE SEQRES 18 A 1229 GLN THR LEU LEU ALA LEU HIS ARG SER TYR LEU THR PRO SEQRES 19 A 1229 VAL ASP SER SER SER GLY TRP THR ALA GLY ALA ALA ALA SEQRES 20 A 1229 TYR TYR VAL GLY TYR LEU GLN PRO ARG THR PHE LEU LEU SEQRES 21 A 1229 LYS TYR ASN GLU ASN GLY THR ILE THR ASP ALA VAL ASP SEQRES 22 A 1229 CYS ALA LEU ASP PRO LEU SER GLU THR LYS CYS THR LEU SEQRES 23 A 1229 LYS SER PHE ILE VAL GLU LYS GLY ILE TYR GLN THR SER SEQRES 24 A 1229 ASN PHE ARG VAL GLN PRO THR GLU SER ILE VAL ARG PHE SEQRES 25 A 1229 PRO ASN ILE THR ASN LEU CYS PRO PHE HIS GLU VAL PHE SEQRES 26 A 1229 ASN ALA THR THR PHE ALA SER VAL TYR ALA TRP ASN ARG SEQRES 27 A 1229 LYS ARG ILE SER ASN CYS VAL ALA ASP TYR SER VAL ILE SEQRES 28 A 1229 TYR ASN PHE ALA PRO PHE PHE ALA PHE LYS CYS TYR GLY SEQRES 29 A 1229 VAL SER PRO THR LYS LEU ASN ASP LEU CYS PHE THR ASN SEQRES 30 A 1229 VAL TYR ALA ASP SER PHE VAL ILE ARG GLY ASN GLU VAL SEQRES 31 A 1229 SER GLN ILE ALA PRO GLY GLN THR GLY ASN ILE ALA ASP SEQRES 32 A 1229 TYR ASN TYR LYS LEU PRO ASP ASP PHE THR GLY CYS VAL SEQRES 33 A 1229 ILE ALA TRP ASN SER ASN LYS LEU ASP SER LYS PRO SER SEQRES 34 A 1229 GLY ASN TYR ASN TYR LEU TYR ARG PHE LEU ARG LYS SER SEQRES 35 A 1229 LYS LEU LYS PRO PHE GLU ARG ASP ILE SER THR GLU ILE SEQRES 36 A 1229 TYR GLN VAL GLY ASN LYS PRO CYS ASN GLY VAL ALA GLY SEQRES 37 A 1229 PRO ASN CYS TYR SER PRO LEU GLN SER TYR GLY PHE ARG SEQRES 38 A 1229 PRO THR TYR GLY VAL GLY HIS GLN PRO TYR ARG VAL VAL SEQRES 39 A 1229 VAL LEU SER PHE GLU LEU LEU HIS ALA PRO ALA THR VAL SEQRES 40 A 1229 CYS GLY PRO LYS LYS SER THR ASN LEU VAL LYS ASN LYS SEQRES 41 A 1229 CYS VAL ASN PHE ASN PHE ASN GLY LEU THR GLY THR GLY SEQRES 42 A 1229 VAL LEU THR GLU SER ASN LYS LYS PHE LEU PRO PHE GLN SEQRES 43 A 1229 GLN PHE GLY ARG ASP ILE ALA ASP THR THR ASP ALA VAL SEQRES 44 A 1229 ARG ASP PRO GLN THR LEU GLU ILE LEU ASP ILE THR PRO SEQRES 45 A 1229 CYS SER PHE GLY GLY VAL SER VAL ILE THR PRO GLY THR SEQRES 46 A 1229 ASN THR SER ASN GLN VAL ALA VAL LEU TYR GLN GLY VAL SEQRES 47 A 1229 ASN CYS THR GLU VAL PRO VAL ALA ILE HIS ALA ASP GLN SEQRES 48 A 1229 LEU THR PRO THR TRP ARG VAL TYR SER THR GLY SER ASN SEQRES 49 A 1229 VAL PHE GLN THR ARG ALA GLY CYS LEU ILE GLY ALA GLU SEQRES 50 A 1229 TYR VAL ASN ASN SER TYR GLU CYS ASP ILE PRO ILE GLY SEQRES 51 A 1229 ALA GLY ILE CYS ALA SER TYR GLN THR GLN THR LYS SER SEQRES 52 A 1229 HIS GLY SER ALA SER SER VAL ALA SER GLN SER ILE ILE SEQRES 53 A 1229 ALA TYR THR MET SER LEU GLY ALA GLU ASN SER VAL ALA SEQRES 54 A 1229 TYR SER ASN ASN SER ILE ALA ILE PRO THR ASN PHE THR SEQRES 55 A 1229 ILE SER VAL THR THR GLU ILE LEU PRO VAL SER MET THR SEQRES 56 A 1229 LYS THR SER VAL ASP CYS THR MET TYR ILE CYS GLY ASP SEQRES 57 A 1229 SER THR GLU CYS SER ASN LEU LEU LEU GLN TYR GLY SER SEQRES 58 A 1229 PHE CYS THR GLN LEU LYS ARG ALA LEU THR GLY ILE ALA SEQRES 59 A 1229 VAL GLU GLN ASP LYS ASN THR GLN GLU VAL PHE ALA GLN SEQRES 60 A 1229 VAL LYS GLN ILE TYR LYS THR PRO PRO ILE LYS TYR PHE SEQRES 61 A 1229 GLY GLY PHE ASN PHE SER GLN ILE LEU PRO ASP PRO SER SEQRES 62 A 1229 LYS PRO SER LYS ARG SER PRO ILE GLU ASP LEU LEU PHE SEQRES 63 A 1229 ASN LYS VAL THR LEU ALA ASP ALA GLY PHE ILE LYS GLN SEQRES 64 A 1229 TYR GLY ASP CYS LEU GLY ASP ILE ALA ALA ARG ASP LEU SEQRES 65 A 1229 ILE CYS ALA GLN LYS PHE ASN GLY LEU THR VAL LEU PRO SEQRES 66 A 1229 PRO LEU LEU THR ASP GLU MET ILE ALA GLN TYR THR SER SEQRES 67 A 1229 ALA LEU LEU ALA GLY THR ILE THR SER GLY TRP THR PHE SEQRES 68 A 1229 GLY ALA GLY PRO ALA LEU GLN ILE PRO PHE PRO MET GLN SEQRES 69 A 1229 MET ALA TYR ARG PHE ASN GLY ILE GLY VAL THR GLN ASN SEQRES 70 A 1229 VAL LEU TYR GLU ASN GLN LYS LEU ILE ALA ASN GLN PHE SEQRES 71 A 1229 ASN SER ALA ILE GLY LYS ILE GLN ASP SER LEU SER SER SEQRES 72 A 1229 THR PRO SER ALA LEU GLY LYS LEU GLN ASP VAL VAL ASN SEQRES 73 A 1229 HIS ASN ALA GLN ALA LEU ASN THR LEU VAL LYS GLN LEU SEQRES 74 A 1229 SER SER LYS PHE GLY ALA ILE SER SER VAL LEU ASN ASP SEQRES 75 A 1229 ILE LEU SER ARG LEU ASP PRO PRO GLU ALA GLU VAL GLN SEQRES 76 A 1229 ILE ASP ARG LEU ILE THR GLY ARG LEU GLN SER LEU GLN SEQRES 77 A 1229 THR TYR VAL THR GLN GLN LEU ILE ARG ALA ALA GLU ILE SEQRES 78 A 1229 ARG ALA SER ALA ASN LEU ALA ALA THR LYS MET SER GLU SEQRES 79 A 1229 CYS VAL LEU GLY GLN SER LYS ARG VAL ASP PHE CYS GLY SEQRES 80 A 1229 LYS GLY TYR HIS LEU MET SER PHE PRO GLN SER ALA PRO SEQRES 81 A 1229 HIS GLY VAL VAL PHE LEU HIS VAL THR TYR VAL PRO ALA SEQRES 82 A 1229 GLN GLU LYS ASN PHE THR THR ALA PRO ALA ILE CYS HIS SEQRES 83 A 1229 ASP GLY LYS ALA HIS PHE PRO ARG GLU GLY VAL PHE VAL SEQRES 84 A 1229 SER ASN GLY THR HIS TRP PHE VAL THR GLN ARG ASN PHE SEQRES 85 A 1229 TYR GLU PRO GLN ILE ILE THR THR ASP ASN THR PHE VAL SEQRES 86 A 1229 SER GLY ASN CYS ASP VAL VAL ILE GLY ILE VAL ASN ASN SEQRES 87 A 1229 THR VAL TYR ASP PRO LEU GLN PRO GLU LEU ASP SER PHE SEQRES 88 A 1229 LYS GLU GLU LEU ASP LYS TYR PHE LYS ASN HIS THR SER SEQRES 89 A 1229 PRO ASP VAL ASP LEU GLY ASP ILE SER GLY ILE ASN ALA SEQRES 90 A 1229 SER VAL VAL ASN ILE GLN LYS GLU ILE ASP ARG LEU ASN SEQRES 91 A 1229 GLU VAL ALA LYS ASN LEU ASN GLU SER LEU ILE ASP LEU SEQRES 92 A 1229 GLN GLU LEU GLY LYS TYR GLU GLN GLY SER GLY TYR ILE SEQRES 93 A 1229 PRO GLU ALA PRO ARG ASP GLY GLN ALA TYR VAL ARG LYS SEQRES 94 A 1229 ASP GLY GLU TRP VAL LEU LEU SER THR PHE LEU GLY ARG SEQRES 95 A 1229 SER LEU GLU VAL LEU PHE GLN MODRES 9CCJ PCA A 14 GLN MODIFIED RESIDUE HET PCA A 14 8 HET NAG B 1 14 HET NAG B 2 14 HET BMA B 3 11 HET NAG C 1 14 HET NAG C 2 14 HET NAG A1301 14 HET NAG A1302 14 HET NAG A1303 14 HETNAM PCA PYROGLUTAMIC ACID HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE HETNAM BMA BETA-D-MANNOPYRANOSE HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE HETSYN BMA BETA-D-MANNOSE; D-MANNOSE; MANNOSE FORMUL 3 PCA C5 H7 N O3 FORMUL 4 NAG 7(C8 H15 N O6) FORMUL 4 BMA C6 H12 O6 HELIX 1 AA1 THR H 86 THR H 90 5 5 HELIX 2 AA2 PRO H 189 LEU H 193 5 5 HELIX 3 AA3 LYS L 26 THR L 30 5 5 HELIX 4 AA4 GLN L 78 GLU L 82 5 5 HELIX 5 AA5 SER L 121 ALA L 127 1 7 HELIX 6 AA6 ASP A 290 LYS A 300 1 11 SHEET 1 AA1 4 LEU H 2 SER H 5 0 SHEET 2 AA1 4 LEU H 16 VAL H 22 -1 O SER H 21 N GLN H 3 SHEET 3 AA1 4 GLN H 77 LEU H 82 -1 O LEU H 82 N LEU H 16 SHEET 4 AA1 4 VAL H 67 ASP H 72 -1 N ASP H 72 O GLN H 77 SHEET 1 AA2 6 LEU H 9 VAL H 10 0 SHEET 2 AA2 6 THR H 111 VAL H 115 1 O THR H 114 N VAL H 10 SHEET 3 AA2 6 SER H 91 PRO H 99 -1 N TYR H 93 O THR H 111 SHEET 4 AA2 6 TYR H 32 GLN H 39 -1 N ILE H 37 O PHE H 94 SHEET 5 AA2 6 GLU H 46 ILE H 51 -1 O ILE H 51 N TRP H 34 SHEET 6 AA2 6 THR H 57 TYR H 59 -1 O TYR H 58 N SER H 50 SHEET 1 AA3 4 VAL H 125 LEU H 128 0 SHEET 2 AA3 4 ALA H 140 TYR H 149 -1 O LEU H 145 N PHE H 126 SHEET 3 AA3 4 TYR H 180 VAL H 188 -1 O LEU H 182 N VAL H 146 SHEET 4 AA3 4 VAL H 167 LEU H 174 -1 N VAL H 173 O SER H 181 SHEET 1 AA4 3 THR H 155 TRP H 158 0 SHEET 2 AA4 3 ILE H 199 HIS H 204 -1 O ASN H 203 N THR H 155 SHEET 3 AA4 3 THR H 209 ARG H 214 -1 O LYS H 213 N CYS H 200 SHEET 1 AA5 5 SER L 9 VAL L 12 0 SHEET 2 AA5 5 THR L 101 VAL L 105 1 O THR L 104 N VAL L 12 SHEET 3 AA5 5 ASP L 84 TRP L 90 -1 N TYR L 85 O THR L 101 SHEET 4 AA5 5 PHE L 33 GLN L 37 -1 N PHE L 33 O GLN L 88 SHEET 5 AA5 5 VAL L 44 ILE L 47 -1 O VAL L 44 N GLN L 36 SHEET 1 AA6 4 SER L 9 VAL L 12 0 SHEET 2 AA6 4 THR L 101 VAL L 105 1 O THR L 104 N VAL L 12 SHEET 3 AA6 4 ASP L 84 TRP L 90 -1 N TYR L 85 O THR L 101 SHEET 4 AA6 4 MET L 95 PHE L 97 -1 O VAL L 96 N VAL L 89 SHEET 1 AA7 3 ALA L 18 SER L 23 0 SHEET 2 AA7 3 THR L 69 ILE L 74 -1 O ALA L 70 N CYS L 22 SHEET 3 AA7 3 PHE L 61 SER L 66 -1 N SER L 62 O THR L 73 SHEET 1 AA8 4 SER L 114 PHE L 118 0 SHEET 2 AA8 4 ALA L 130 PHE L 139 -1 O LEU L 135 N THR L 116 SHEET 3 AA8 4 TYR L 172 LEU L 180 -1 O SER L 176 N CYS L 134 SHEET 4 AA8 4 VAL L 159 THR L 161 -1 N GLU L 160 O TYR L 177 SHEET 1 AA9 4 SER L 114 PHE L 118 0 SHEET 2 AA9 4 ALA L 130 PHE L 139 -1 O LEU L 135 N THR L 116 SHEET 3 AA9 4 TYR L 172 LEU L 180 -1 O SER L 176 N CYS L 134 SHEET 4 AA9 4 SER L 165 LYS L 166 -1 N SER L 165 O ALA L 173 SHEET 1 AB1 3 THR L 145 ALA L 150 0 SHEET 2 AB1 3 TYR L 191 HIS L 197 -1 O GLN L 194 N ALA L 147 SHEET 3 AB1 3 SER L 200 VAL L 206 -1 O VAL L 206 N TYR L 191 SHEET 1 AB2 7 THR A 20 SER A 28 0 SHEET 2 AB2 7 SER A 57 HIS A 66 -1 O ILE A 65 N THR A 20 SHEET 3 AB2 7 GLY A 257 TYR A 265 -1 O ALA A 259 N ALA A 64 SHEET 4 AB2 7 VAL A 87 SER A 91 -1 N TYR A 88 O GLY A 264 SHEET 5 AB2 7 ASN A 184 ILE A 193 -1 O PHE A 188 N PHE A 89 SHEET 6 AB2 7 TYR A 196 PRO A 205 -1 O THR A 204 N LEU A 185 SHEET 7 AB2 7 GLU A 220 LEU A 225 -1 O LEU A 222 N ILE A 199 SHEET 1 AB3 3 VAL A 44 PHE A 52 0 SHEET 2 AB3 3 GLN A 267 TYR A 275 -1 O LEU A 273 N HIS A 46 SHEET 3 AB3 3 ILE A 281 ASP A 286 -1 O ASP A 283 N LYS A 274 SHEET 1 AB4 4 LEU A 81 PRO A 82 0 SHEET 2 AB4 4 ARG A 233 HIS A 241 -1 O PHE A 234 N LEU A 81 SHEET 3 AB4 4 PHE A 137 LYS A 143 1 N LEU A 138 O LEU A 238 SHEET 4 AB4 4 SER A 147 SER A 151 -1 O MET A 149 N TYR A 141 SHEET 1 AB5 6 LEU A 81 PRO A 82 0 SHEET 2 AB5 6 ARG A 233 HIS A 241 -1 O PHE A 234 N LEU A 81 SHEET 3 AB5 6 ILE A 98 GLY A 104 -1 N GLY A 100 O LEU A 237 SHEET 4 AB5 6 SER A 113 ASN A 118 -1 O ILE A 116 N TRP A 101 SHEET 5 AB5 6 VAL A 123 PHE A 132 -1 O VAL A 124 N VAL A 117 SHEET 6 AB5 6 TYR A 156 SER A 168 -1 O THR A 163 N VAL A 127 SSBOND 1 CYS H 20 CYS H 95 1555 1555 2.03 SSBOND 2 CYS H 144 CYS H 200 1555 1555 2.03 SSBOND 3 CYS L 22 CYS L 87 1555 1555 2.03 SSBOND 4 CYS L 134 CYS L 193 1555 1555 2.03 SSBOND 5 CYS A 15 CYS A 133 1555 1555 2.03 SSBOND 6 CYS A 128 CYS A 162 1555 1555 2.03 SSBOND 7 CYS A 287 CYS A 297 1555 1555 2.03 LINK C PCA A 14 N CYS A 15 1555 1555 1.33 LINK ND2 ASN A 58 C1 NAG B 1 1555 1555 1.44 LINK ND2 ASN A 119 C1 NAG C 1 1555 1555 1.44 LINK ND2 ASN A 161 C1 NAG A1301 1555 1555 1.44 LINK ND2 ASN A 230 C1 NAG A1302 1555 1555 1.44 LINK ND2 ASN A 278 C1 NAG A1303 1555 1555 1.44 LINK O4 NAG B 1 C1 NAG B 2 1555 1555 1.44 LINK O4 NAG B 2 C1 BMA B 3 1555 1555 1.45 LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.44 CISPEP 1 PHE H 150 PRO H 151 0 -3.31 CISPEP 2 GLU H 152 PRO H 153 0 2.62 CISPEP 3 TYR L 140 PRO L 141 0 -0.23 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000