HEADER IMMUNE SYSTEM 27-SEP-24 9JQ6 TITLE CRYO-EM STRUCTURE OF BTN2A1 IN COMPLEX WITH ANTAGONIST ANTIBODY TH002 COMPND MOL_ID: 1; COMPND 2 MOLECULE: BUTYROPHILIN SUBFAMILY 2 MEMBER A1; COMPND 3 CHAIN: E, F; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: BTN2A1 ANTAGONIST ANTIBODY TH002-FAB HEAVY CHAIN; COMPND 7 CHAIN: H, J; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: BTN2A1 ANTAGONIST ANTIBODY TH002-FAB LIGHT CHAIN; COMPND 11 CHAIN: I, K; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: BTN2A1, BT2.1, BTF1; SOURCE 6 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 7 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 9 EXPRESSION_SYSTEM_CELL_LINE: HEK293F; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 12 ORGANISM_TAXID: 10090; SOURCE 13 EXPRESSION_SYSTEM: MUS MUSCULUS; SOURCE 14 EXPRESSION_SYSTEM_TAXID: 10090; SOURCE 15 MOL_ID: 3; SOURCE 16 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 17 ORGANISM_TAXID: 10090; SOURCE 18 EXPRESSION_SYSTEM: MUS MUSCULUS; SOURCE 19 EXPRESSION_SYSTEM_TAXID: 10090 KEYWDS RECEPTOR, BUTYROPHILIN, ANTAGONIST, ANTIBODY, IMMUNE SYSTEM EXPDTA ELECTRON MICROSCOPY AUTHOR M.ZHANG,Y.Q.WANG,J.Y.XIAO REVDAT 1 18-JUN-25 9JQ6 0 JRNL AUTH M.ZHANG,Y.WANG,N.CAI,Y.QU,X.MA,J.XUE,X.CHEN,X.ZHANG,J.XIAO, JRNL AUTH 2 Y.ZHANG JRNL TITL STRUCTURES OF BUTYROPHILIN MULTIMERS REVEAL A PLIER-LIKE JRNL TITL 2 MECHANISM FOR V GAMMA 9V DELTA 2 T CELL RECEPTOR ACTIVATION JRNL REF IMMUNITY 2025 JRNL REFN ISSN 1074-7613 JRNL DOI 10.1016/J.IMMUNI.2025.05.011 REMARK 2 REMARK 2 RESOLUTION. 3.34 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) : 3.340 REMARK 3 NUMBER OF PARTICLES : 247369 REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE REMARK 3 CORRECTION REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: NULL REMARK 4 REMARK 4 9JQ6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBC ON 04-OCT-24. REMARK 100 THE DEPOSITION ID IS D_1300051882. 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 : FULL-LENGTH BTN2A1 IN COMPLEX REMARK 245 WITH ITS ANTAGONIST ANTIBODY REMARK 245 TH002 REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 7.40 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 : FEI FALCON IV (4K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 1300.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 1700.00 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) : 6000.00 REMARK 245 ILLUMINATION MODE : FLOOD BEAM 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: HEXAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, H, I, J, K, 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 VAL E 216 REMARK 465 SER E 217 REMARK 465 PRO E 218 REMARK 465 CYS E 219 REMARK 465 ALA E 220 REMARK 465 VAL E 221 REMARK 465 ALA E 222 REMARK 465 LEU E 223 REMARK 465 PRO E 224 REMARK 465 ILE E 225 REMARK 465 ILE E 226 REMARK 465 VAL E 227 REMARK 465 VAL E 228 REMARK 465 ILE E 229 REMARK 465 LEU E 230 REMARK 465 MET E 231 REMARK 465 ILE E 232 REMARK 465 PRO E 233 REMARK 465 ILE E 234 REMARK 465 ALA E 235 REMARK 465 VAL E 236 REMARK 465 CYS E 237 REMARK 465 ILE E 238 REMARK 465 TYR E 239 REMARK 465 TRP E 240 REMARK 465 ILE E 241 REMARK 465 ASN E 242 REMARK 465 LYS E 243 REMARK 465 LEU E 244 REMARK 465 GLN E 245 REMARK 465 LYS E 246 REMARK 465 GLU E 247 REMARK 465 LYS E 248 REMARK 465 LYS E 249 REMARK 465 ILE E 250 REMARK 465 LEU E 251 REMARK 465 SER E 252 REMARK 465 GLY E 253 REMARK 465 GLU E 254 REMARK 465 LYS E 255 REMARK 465 GLU E 256 REMARK 465 PHE E 257 REMARK 465 GLU E 258 REMARK 465 ARG E 259 REMARK 465 GLU E 260 REMARK 465 THR E 261 REMARK 465 ARG E 262 REMARK 465 GLU E 263 REMARK 465 ILE E 264 REMARK 465 ALA E 265 REMARK 465 LEU E 266 REMARK 465 LYS E 267 REMARK 465 GLU E 268 REMARK 465 LEU E 269 REMARK 465 GLU E 270 REMARK 465 LYS E 271 REMARK 465 GLU E 272 REMARK 465 ARG E 273 REMARK 465 VAL E 274 REMARK 465 GLN E 275 REMARK 465 LYS E 276 REMARK 465 GLU E 277 REMARK 465 GLU E 278 REMARK 465 GLU E 279 REMARK 465 LEU E 280 REMARK 465 GLN E 281 REMARK 465 VAL E 282 REMARK 465 LYS E 283 REMARK 465 GLU E 284 REMARK 465 LYS E 285 REMARK 465 LEU E 286 REMARK 465 GLN E 287 REMARK 465 GLU E 288 REMARK 465 GLU E 289 REMARK 465 LEU E 290 REMARK 465 ARG E 291 REMARK 465 TRP E 292 REMARK 465 ARG E 293 REMARK 465 ARG E 294 REMARK 465 THR E 295 REMARK 465 PHE E 296 REMARK 465 LEU E 297 REMARK 465 HIS E 298 REMARK 465 ALA E 299 REMARK 465 VAL E 300 REMARK 465 ASP E 301 REMARK 465 VAL E 302 REMARK 465 VAL E 303 REMARK 465 LEU E 304 REMARK 465 ASP E 305 REMARK 465 PRO E 306 REMARK 465 ASP E 307 REMARK 465 THR E 308 REMARK 465 ALA E 309 REMARK 465 HIS E 310 REMARK 465 PRO E 311 REMARK 465 ASP E 312 REMARK 465 LEU E 313 REMARK 465 PHE E 314 REMARK 465 LEU E 315 REMARK 465 SER E 316 REMARK 465 GLU E 317 REMARK 465 ASP E 318 REMARK 465 ARG E 319 REMARK 465 ARG E 320 REMARK 465 SER E 321 REMARK 465 VAL E 322 REMARK 465 ARG E 323 REMARK 465 ARG E 324 REMARK 465 CYS E 325 REMARK 465 PRO E 326 REMARK 465 PHE E 327 REMARK 465 ARG E 328 REMARK 465 HIS E 329 REMARK 465 LEU E 330 REMARK 465 GLY E 331 REMARK 465 GLU E 332 REMARK 465 SER E 333 REMARK 465 VAL E 334 REMARK 465 PRO E 335 REMARK 465 ASP E 336 REMARK 465 ASN E 337 REMARK 465 PRO E 338 REMARK 465 GLU E 339 REMARK 465 ARG E 340 REMARK 465 PHE E 341 REMARK 465 ASP E 342 REMARK 465 SER E 343 REMARK 465 GLN E 344 REMARK 465 PRO E 345 REMARK 465 CYS E 346 REMARK 465 VAL E 347 REMARK 465 LEU E 348 REMARK 465 GLY E 349 REMARK 465 ARG E 350 REMARK 465 GLU E 351 REMARK 465 SER E 352 REMARK 465 PHE E 353 REMARK 465 ALA E 354 REMARK 465 SER E 355 REMARK 465 GLY E 356 REMARK 465 LYS E 357 REMARK 465 HIS E 358 REMARK 465 TYR E 359 REMARK 465 TRP E 360 REMARK 465 GLU E 361 REMARK 465 VAL E 362 REMARK 465 GLU E 363 REMARK 465 VAL E 364 REMARK 465 GLU E 365 REMARK 465 ASN E 366 REMARK 465 VAL E 367 REMARK 465 ILE E 368 REMARK 465 GLU E 369 REMARK 465 TRP E 370 REMARK 465 THR E 371 REMARK 465 VAL E 372 REMARK 465 GLY E 373 REMARK 465 VAL E 374 REMARK 465 CYS E 375 REMARK 465 ARG E 376 REMARK 465 ASP E 377 REMARK 465 SER E 378 REMARK 465 VAL E 379 REMARK 465 GLU E 380 REMARK 465 ARG E 381 REMARK 465 LYS E 382 REMARK 465 GLY E 383 REMARK 465 GLU E 384 REMARK 465 VAL E 385 REMARK 465 LEU E 386 REMARK 465 LEU E 387 REMARK 465 ILE E 388 REMARK 465 PRO E 389 REMARK 465 GLN E 390 REMARK 465 ASN E 391 REMARK 465 GLY E 392 REMARK 465 PHE E 393 REMARK 465 TRP E 394 REMARK 465 THR E 395 REMARK 465 LEU E 396 REMARK 465 GLU E 397 REMARK 465 MET E 398 REMARK 465 HIS E 399 REMARK 465 LYS E 400 REMARK 465 GLY E 401 REMARK 465 GLN E 402 REMARK 465 TYR E 403 REMARK 465 ARG E 404 REMARK 465 ALA E 405 REMARK 465 VAL E 406 REMARK 465 SER E 407 REMARK 465 SER E 408 REMARK 465 PRO E 409 REMARK 465 ASP E 410 REMARK 465 ARG E 411 REMARK 465 ILE E 412 REMARK 465 LEU E 413 REMARK 465 PRO E 414 REMARK 465 LEU E 415 REMARK 465 LYS E 416 REMARK 465 GLU E 417 REMARK 465 SER E 418 REMARK 465 LEU E 419 REMARK 465 CYS E 420 REMARK 465 ARG E 421 REMARK 465 VAL E 422 REMARK 465 GLY E 423 REMARK 465 VAL E 424 REMARK 465 PHE E 425 REMARK 465 LEU E 426 REMARK 465 ASP E 427 REMARK 465 TYR E 428 REMARK 465 GLU E 429 REMARK 465 ALA E 430 REMARK 465 GLY E 431 REMARK 465 ASP E 432 REMARK 465 VAL E 433 REMARK 465 SER E 434 REMARK 465 PHE E 435 REMARK 465 TYR E 436 REMARK 465 ASN E 437 REMARK 465 MET E 438 REMARK 465 ARG E 439 REMARK 465 ASP E 440 REMARK 465 ARG E 441 REMARK 465 SER E 442 REMARK 465 HIS E 443 REMARK 465 ILE E 444 REMARK 465 TYR E 445 REMARK 465 THR E 446 REMARK 465 CYS E 447 REMARK 465 PRO E 448 REMARK 465 ARG E 449 REMARK 465 SER E 450 REMARK 465 ALA E 451 REMARK 465 PHE E 452 REMARK 465 SER E 453 REMARK 465 VAL E 454 REMARK 465 PRO E 455 REMARK 465 VAL E 456 REMARK 465 ARG E 457 REMARK 465 PRO E 458 REMARK 465 PHE E 459 REMARK 465 PHE E 460 REMARK 465 ARG E 461 REMARK 465 LEU E 462 REMARK 465 GLY E 463 REMARK 465 CYS E 464 REMARK 465 GLU E 465 REMARK 465 ASP E 466 REMARK 465 SER E 467 REMARK 465 PRO E 468 REMARK 465 ILE E 469 REMARK 465 PHE E 470 REMARK 465 ILE E 471 REMARK 465 CYS E 472 REMARK 465 PRO E 473 REMARK 465 ALA E 474 REMARK 465 LEU E 475 REMARK 465 THR E 476 REMARK 465 GLY E 477 REMARK 465 ALA E 478 REMARK 465 ASN E 479 REMARK 465 GLY E 480 REMARK 465 VAL E 481 REMARK 465 THR E 482 REMARK 465 VAL E 483 REMARK 465 PRO E 484 REMARK 465 GLU E 485 REMARK 465 GLU E 486 REMARK 465 GLY E 487 REMARK 465 LEU E 488 REMARK 465 THR E 489 REMARK 465 LEU E 490 REMARK 465 HIS E 491 REMARK 465 ARG E 492 REMARK 465 VAL E 493 REMARK 465 GLY E 494 REMARK 465 THR E 495 REMARK 465 HIS E 496 REMARK 465 GLN E 497 REMARK 465 SER E 498 REMARK 465 LEU E 499 REMARK 465 GLY E 500 REMARK 465 GLY E 501 REMARK 465 GLY E 502 REMARK 465 GLY E 503 REMARK 465 SER E 504 REMARK 465 TRP E 505 REMARK 465 SER E 506 REMARK 465 HIS E 507 REMARK 465 PRO E 508 REMARK 465 GLN E 509 REMARK 465 PHE E 510 REMARK 465 GLU E 511 REMARK 465 LYS E 512 REMARK 465 GLY E 513 REMARK 465 GLY E 514 REMARK 465 GLY E 515 REMARK 465 SER E 516 REMARK 465 GLY E 517 REMARK 465 GLY E 518 REMARK 465 GLY E 519 REMARK 465 SER E 520 REMARK 465 GLY E 521 REMARK 465 GLY E 522 REMARK 465 SER E 523 REMARK 465 ALA E 524 REMARK 465 TRP E 525 REMARK 465 SER E 526 REMARK 465 HIS E 527 REMARK 465 PRO E 528 REMARK 465 GLN E 529 REMARK 465 PHE E 530 REMARK 465 GLU E 531 REMARK 465 LYS E 532 REMARK 465 VAL F 216 REMARK 465 SER F 217 REMARK 465 PRO F 218 REMARK 465 CYS F 219 REMARK 465 ALA F 220 REMARK 465 VAL F 221 REMARK 465 ALA F 222 REMARK 465 LEU F 223 REMARK 465 PRO F 224 REMARK 465 ILE F 225 REMARK 465 ILE F 226 REMARK 465 VAL F 227 REMARK 465 VAL F 228 REMARK 465 ILE F 229 REMARK 465 LEU F 230 REMARK 465 MET F 231 REMARK 465 ILE F 232 REMARK 465 PRO F 233 REMARK 465 ILE F 234 REMARK 465 ALA F 235 REMARK 465 VAL F 236 REMARK 465 CYS F 237 REMARK 465 ILE F 238 REMARK 465 TYR F 239 REMARK 465 TRP F 240 REMARK 465 ILE F 241 REMARK 465 ASN F 242 REMARK 465 LYS F 243 REMARK 465 LEU F 244 REMARK 465 GLN F 245 REMARK 465 LYS F 246 REMARK 465 GLU F 247 REMARK 465 LYS F 248 REMARK 465 LYS F 249 REMARK 465 ILE F 250 REMARK 465 LEU F 251 REMARK 465 SER F 252 REMARK 465 GLY F 253 REMARK 465 GLU F 254 REMARK 465 LYS F 255 REMARK 465 GLU F 256 REMARK 465 PHE F 257 REMARK 465 GLU F 258 REMARK 465 ARG F 259 REMARK 465 GLU F 260 REMARK 465 THR F 261 REMARK 465 ARG F 262 REMARK 465 GLU F 263 REMARK 465 ILE F 264 REMARK 465 ALA F 265 REMARK 465 LEU F 266 REMARK 465 LYS F 267 REMARK 465 GLU F 268 REMARK 465 LEU F 269 REMARK 465 GLU F 270 REMARK 465 LYS F 271 REMARK 465 GLU F 272 REMARK 465 ARG F 273 REMARK 465 VAL F 274 REMARK 465 GLN F 275 REMARK 465 LYS F 276 REMARK 465 GLU F 277 REMARK 465 GLU F 278 REMARK 465 GLU F 279 REMARK 465 LEU F 280 REMARK 465 GLN F 281 REMARK 465 VAL F 282 REMARK 465 LYS F 283 REMARK 465 GLU F 284 REMARK 465 LYS F 285 REMARK 465 LEU F 286 REMARK 465 GLN F 287 REMARK 465 GLU F 288 REMARK 465 GLU F 289 REMARK 465 LEU F 290 REMARK 465 ARG F 291 REMARK 465 TRP F 292 REMARK 465 ARG F 293 REMARK 465 ARG F 294 REMARK 465 THR F 295 REMARK 465 PHE F 296 REMARK 465 LEU F 297 REMARK 465 HIS F 298 REMARK 465 ALA F 299 REMARK 465 VAL F 300 REMARK 465 ASP F 301 REMARK 465 VAL F 302 REMARK 465 VAL F 303 REMARK 465 LEU F 304 REMARK 465 ASP F 305 REMARK 465 PRO F 306 REMARK 465 ASP F 307 REMARK 465 THR F 308 REMARK 465 ALA F 309 REMARK 465 HIS F 310 REMARK 465 PRO F 311 REMARK 465 ASP F 312 REMARK 465 LEU F 313 REMARK 465 PHE F 314 REMARK 465 LEU F 315 REMARK 465 SER F 316 REMARK 465 GLU F 317 REMARK 465 ASP F 318 REMARK 465 ARG F 319 REMARK 465 ARG F 320 REMARK 465 SER F 321 REMARK 465 VAL F 322 REMARK 465 ARG F 323 REMARK 465 ARG F 324 REMARK 465 CYS F 325 REMARK 465 PRO F 326 REMARK 465 PHE F 327 REMARK 465 ARG F 328 REMARK 465 HIS F 329 REMARK 465 LEU F 330 REMARK 465 GLY F 331 REMARK 465 GLU F 332 REMARK 465 SER F 333 REMARK 465 VAL F 334 REMARK 465 PRO F 335 REMARK 465 ASP F 336 REMARK 465 ASN F 337 REMARK 465 PRO F 338 REMARK 465 GLU F 339 REMARK 465 ARG F 340 REMARK 465 PHE F 341 REMARK 465 ASP F 342 REMARK 465 SER F 343 REMARK 465 GLN F 344 REMARK 465 PRO F 345 REMARK 465 CYS F 346 REMARK 465 VAL F 347 REMARK 465 LEU F 348 REMARK 465 GLY F 349 REMARK 465 ARG F 350 REMARK 465 GLU F 351 REMARK 465 SER F 352 REMARK 465 PHE F 353 REMARK 465 ALA F 354 REMARK 465 SER F 355 REMARK 465 GLY F 356 REMARK 465 LYS F 357 REMARK 465 HIS F 358 REMARK 465 TYR F 359 REMARK 465 TRP F 360 REMARK 465 GLU F 361 REMARK 465 VAL F 362 REMARK 465 GLU F 363 REMARK 465 VAL F 364 REMARK 465 GLU F 365 REMARK 465 ASN F 366 REMARK 465 VAL F 367 REMARK 465 ILE F 368 REMARK 465 GLU F 369 REMARK 465 TRP F 370 REMARK 465 THR F 371 REMARK 465 VAL F 372 REMARK 465 GLY F 373 REMARK 465 VAL F 374 REMARK 465 CYS F 375 REMARK 465 ARG F 376 REMARK 465 ASP F 377 REMARK 465 SER F 378 REMARK 465 VAL F 379 REMARK 465 GLU F 380 REMARK 465 ARG F 381 REMARK 465 LYS F 382 REMARK 465 GLY F 383 REMARK 465 GLU F 384 REMARK 465 VAL F 385 REMARK 465 LEU F 386 REMARK 465 LEU F 387 REMARK 465 ILE F 388 REMARK 465 PRO F 389 REMARK 465 GLN F 390 REMARK 465 ASN F 391 REMARK 465 GLY F 392 REMARK 465 PHE F 393 REMARK 465 TRP F 394 REMARK 465 THR F 395 REMARK 465 LEU F 396 REMARK 465 GLU F 397 REMARK 465 MET F 398 REMARK 465 HIS F 399 REMARK 465 LYS F 400 REMARK 465 GLY F 401 REMARK 465 GLN F 402 REMARK 465 TYR F 403 REMARK 465 ARG F 404 REMARK 465 ALA F 405 REMARK 465 VAL F 406 REMARK 465 SER F 407 REMARK 465 SER F 408 REMARK 465 PRO F 409 REMARK 465 ASP F 410 REMARK 465 ARG F 411 REMARK 465 ILE F 412 REMARK 465 LEU F 413 REMARK 465 PRO F 414 REMARK 465 LEU F 415 REMARK 465 LYS F 416 REMARK 465 GLU F 417 REMARK 465 SER F 418 REMARK 465 LEU F 419 REMARK 465 CYS F 420 REMARK 465 ARG F 421 REMARK 465 VAL F 422 REMARK 465 GLY F 423 REMARK 465 VAL F 424 REMARK 465 PHE F 425 REMARK 465 LEU F 426 REMARK 465 ASP F 427 REMARK 465 TYR F 428 REMARK 465 GLU F 429 REMARK 465 ALA F 430 REMARK 465 GLY F 431 REMARK 465 ASP F 432 REMARK 465 VAL F 433 REMARK 465 SER F 434 REMARK 465 PHE F 435 REMARK 465 TYR F 436 REMARK 465 ASN F 437 REMARK 465 MET F 438 REMARK 465 ARG F 439 REMARK 465 ASP F 440 REMARK 465 ARG F 441 REMARK 465 SER F 442 REMARK 465 HIS F 443 REMARK 465 ILE F 444 REMARK 465 TYR F 445 REMARK 465 THR F 446 REMARK 465 CYS F 447 REMARK 465 PRO F 448 REMARK 465 ARG F 449 REMARK 465 SER F 450 REMARK 465 ALA F 451 REMARK 465 PHE F 452 REMARK 465 SER F 453 REMARK 465 VAL F 454 REMARK 465 PRO F 455 REMARK 465 VAL F 456 REMARK 465 ARG F 457 REMARK 465 PRO F 458 REMARK 465 PHE F 459 REMARK 465 PHE F 460 REMARK 465 ARG F 461 REMARK 465 LEU F 462 REMARK 465 GLY F 463 REMARK 465 CYS F 464 REMARK 465 GLU F 465 REMARK 465 ASP F 466 REMARK 465 SER F 467 REMARK 465 PRO F 468 REMARK 465 ILE F 469 REMARK 465 PHE F 470 REMARK 465 ILE F 471 REMARK 465 CYS F 472 REMARK 465 PRO F 473 REMARK 465 ALA F 474 REMARK 465 LEU F 475 REMARK 465 THR F 476 REMARK 465 GLY F 477 REMARK 465 ALA F 478 REMARK 465 ASN F 479 REMARK 465 GLY F 480 REMARK 465 VAL F 481 REMARK 465 THR F 482 REMARK 465 VAL F 483 REMARK 465 PRO F 484 REMARK 465 GLU F 485 REMARK 465 GLU F 486 REMARK 465 GLY F 487 REMARK 465 LEU F 488 REMARK 465 THR F 489 REMARK 465 LEU F 490 REMARK 465 HIS F 491 REMARK 465 ARG F 492 REMARK 465 VAL F 493 REMARK 465 GLY F 494 REMARK 465 THR F 495 REMARK 465 HIS F 496 REMARK 465 GLN F 497 REMARK 465 SER F 498 REMARK 465 LEU F 499 REMARK 465 GLY F 500 REMARK 465 GLY F 501 REMARK 465 GLY F 502 REMARK 465 GLY F 503 REMARK 465 SER F 504 REMARK 465 TRP F 505 REMARK 465 SER F 506 REMARK 465 HIS F 507 REMARK 465 PRO F 508 REMARK 465 GLN F 509 REMARK 465 PHE F 510 REMARK 465 GLU F 511 REMARK 465 LYS F 512 REMARK 465 GLY F 513 REMARK 465 GLY F 514 REMARK 465 GLY F 515 REMARK 465 SER F 516 REMARK 465 GLY F 517 REMARK 465 GLY F 518 REMARK 465 GLY F 519 REMARK 465 SER F 520 REMARK 465 GLY F 521 REMARK 465 GLY F 522 REMARK 465 SER F 523 REMARK 465 ALA F 524 REMARK 465 TRP F 525 REMARK 465 SER F 526 REMARK 465 HIS F 527 REMARK 465 PRO F 528 REMARK 465 GLN F 529 REMARK 465 PHE F 530 REMARK 465 GLU F 531 REMARK 465 LYS F 532 REMARK 465 THR H 139 REMARK 465 THR H 140 REMARK 465 GLY H 222 REMARK 465 PRO H 223 REMARK 465 THR H 224 REMARK 465 ILE H 225 REMARK 465 LYS H 226 REMARK 465 PRO H 227 REMARK 465 CYS H 228 REMARK 465 PRO H 229 REMARK 465 PRO H 230 REMARK 465 CYS H 231 REMARK 465 GLU I 217 REMARK 465 CYS I 218 REMARK 465 GLY J 222 REMARK 465 PRO J 223 REMARK 465 THR J 224 REMARK 465 ILE J 225 REMARK 465 LYS J 226 REMARK 465 PRO J 227 REMARK 465 CYS J 228 REMARK 465 PRO J 229 REMARK 465 PRO J 230 REMARK 465 CYS J 231 REMARK 465 GLU K 217 REMARK 465 CYS K 218 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 ND2 ASN E 194 O5 NAG B 1 2.10 REMARK 500 REMARK 500 REMARK: NULL 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 TYR E 64 50.71 -92.24 REMARK 500 LYS E 73 -120.15 52.98 REMARK 500 PRO E 144 -157.84 -78.78 REMARK 500 VAL E 164 -62.91 -121.41 REMARK 500 ASP E 168 -158.88 -101.08 REMARK 500 ALA F 31 52.93 -93.70 REMARK 500 ASP F 33 32.98 -99.41 REMARK 500 ARG F 40 -60.84 -102.26 REMARK 500 TYR F 64 32.11 -94.70 REMARK 500 PRO F 144 -159.72 -76.66 REMARK 500 ILE H 48 -61.84 -102.29 REMARK 500 ASP H 90 51.80 -94.18 REMARK 500 SER H 120 -174.87 -170.79 REMARK 500 SER H 194 49.36 37.78 REMARK 500 GLN H 199 -162.68 -123.18 REMARK 500 SER I 56 23.02 -141.87 REMARK 500 THR I 73 56.34 -97.28 REMARK 500 GLU I 85 49.81 -85.36 REMARK 500 GLN I 160 117.50 -163.81 REMARK 500 ASN I 161 12.35 -147.68 REMARK 500 SER I 172 45.20 -87.44 REMARK 500 LYS I 173 -39.55 -133.61 REMARK 500 SER I 195 113.34 -160.29 REMARK 500 ILE J 48 -65.06 -103.08 REMARK 500 SER J 88 18.59 57.48 REMARK 500 ARG J 104 -7.85 80.64 REMARK 500 CYS J 136 39.89 39.39 REMARK 500 TYR J 153 129.37 -170.27 REMARK 500 TRP J 196 106.83 -59.45 REMARK 500 SER K 56 26.26 -143.22 REMARK 500 ARG K 112 -167.82 -160.78 REMARK 500 PRO K 145 -163.59 -74.49 REMARK 500 LYS K 146 32.26 -96.05 REMARK 500 GLN K 160 -2.17 72.60 REMARK 500 VAL K 163 -62.82 -100.51 REMARK 500 TYR K 190 49.96 -93.88 REMARK 500 ARG K 192 48.73 -87.73 REMARK 500 THR K 206 -10.92 71.91 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-61724 RELATED DB: EMDB REMARK 900 CRYO-EM STRUCTURE OF BTN2A1 IN COMPLEX WITH ANTAGONIST ANTIBODY REMARK 900 TH002 DBREF 9JQ6 E 1 499 UNP Q7KYR7 BT2A1_HUMAN 29 527 DBREF 9JQ6 F 1 499 UNP Q7KYR7 BT2A1_HUMAN 29 527 DBREF 9JQ6 H 1 231 PDB 9JQ6 9JQ6 1 231 DBREF 9JQ6 I 1 218 PDB 9JQ6 9JQ6 1 218 DBREF 9JQ6 J 1 231 PDB 9JQ6 9JQ6 1 231 DBREF 9JQ6 K 1 218 PDB 9JQ6 9JQ6 1 218 SEQADV 9JQ6 GLY E 500 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 501 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 502 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 503 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER E 504 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 TRP E 505 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER E 506 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 HIS E 507 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 PRO E 508 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLN E 509 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 PHE E 510 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLU E 511 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 LYS E 512 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 513 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 514 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 515 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER E 516 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 517 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 518 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 519 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER E 520 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 521 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY E 522 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER E 523 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 ALA E 524 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 TRP E 525 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER E 526 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 HIS E 527 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 PRO E 528 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLN E 529 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 PHE E 530 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLU E 531 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 LYS E 532 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 500 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 501 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 502 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 503 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER F 504 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 TRP F 505 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER F 506 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 HIS F 507 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 PRO F 508 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLN F 509 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 PHE F 510 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLU F 511 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 LYS F 512 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 513 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 514 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 515 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER F 516 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 517 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 518 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 519 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER F 520 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 521 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLY F 522 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER F 523 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 ALA F 524 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 TRP F 525 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 SER F 526 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 HIS F 527 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 PRO F 528 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLN F 529 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 PHE F 530 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 GLU F 531 UNP Q7KYR7 EXPRESSION TAG SEQADV 9JQ6 LYS F 532 UNP Q7KYR7 EXPRESSION TAG SEQRES 1 E 532 GLN PHE ILE VAL VAL GLY PRO THR ASP PRO ILE LEU ALA SEQRES 2 E 532 THR VAL GLY GLU ASN THR THR LEU ARG CYS HIS LEU SER SEQRES 3 E 532 PRO GLU LYS ASN ALA GLU ASP MET GLU VAL ARG TRP PHE SEQRES 4 E 532 ARG SER GLN PHE SER PRO ALA VAL PHE VAL TYR LYS GLY SEQRES 5 E 532 GLY ARG GLU ARG THR GLU GLU GLN MET GLU GLU TYR ARG SEQRES 6 E 532 GLY ARG THR THR PHE VAL SER LYS ASP ILE SER ARG GLY SEQRES 7 E 532 SER VAL ALA LEU VAL ILE HIS ASN ILE THR ALA GLN GLU SEQRES 8 E 532 ASN GLY THR TYR ARG CYS TYR PHE GLN GLU GLY ARG SER SEQRES 9 E 532 TYR ASP GLU ALA ILE LEU HIS LEU VAL VAL ALA GLY LEU SEQRES 10 E 532 GLY SER LYS PRO LEU ILE SER MET ARG GLY HIS GLU ASP SEQRES 11 E 532 GLY GLY ILE ARG LEU GLU CYS ILE SER ARG GLY TRP TYR SEQRES 12 E 532 PRO LYS PRO LEU THR VAL TRP ARG ASP PRO TYR GLY GLY SEQRES 13 E 532 VAL ALA PRO ALA LEU LYS GLU VAL SER MET PRO ASP ALA SEQRES 14 E 532 ASP GLY LEU PHE MET VAL THR THR ALA VAL ILE ILE ARG SEQRES 15 E 532 ASP LYS SER VAL ARG ASN MET SER CYS SER ILE ASN ASN SEQRES 16 E 532 THR LEU LEU GLY GLN LYS LYS GLU SER VAL ILE PHE ILE SEQRES 17 E 532 PRO GLU SER PHE MET PRO SER VAL SER PRO CYS ALA VAL SEQRES 18 E 532 ALA LEU PRO ILE ILE VAL VAL ILE LEU MET ILE PRO ILE SEQRES 19 E 532 ALA VAL CYS ILE TYR TRP ILE ASN LYS LEU GLN LYS GLU SEQRES 20 E 532 LYS LYS ILE LEU SER GLY GLU LYS GLU PHE GLU ARG GLU SEQRES 21 E 532 THR ARG GLU ILE ALA LEU LYS GLU LEU GLU LYS GLU ARG SEQRES 22 E 532 VAL GLN LYS GLU GLU GLU LEU GLN VAL LYS GLU LYS LEU SEQRES 23 E 532 GLN GLU GLU LEU ARG TRP ARG ARG THR PHE LEU HIS ALA SEQRES 24 E 532 VAL ASP VAL VAL LEU ASP PRO ASP THR ALA HIS PRO ASP SEQRES 25 E 532 LEU PHE LEU SER GLU ASP ARG ARG SER VAL ARG ARG CYS SEQRES 26 E 532 PRO PHE ARG HIS LEU GLY GLU SER VAL PRO ASP ASN PRO SEQRES 27 E 532 GLU ARG PHE ASP SER GLN PRO CYS VAL LEU GLY ARG GLU SEQRES 28 E 532 SER PHE ALA SER GLY LYS HIS TYR TRP GLU VAL GLU VAL SEQRES 29 E 532 GLU ASN VAL ILE GLU TRP THR VAL GLY VAL CYS ARG ASP SEQRES 30 E 532 SER VAL GLU ARG LYS GLY GLU VAL LEU LEU ILE PRO GLN SEQRES 31 E 532 ASN GLY PHE TRP THR LEU GLU MET HIS LYS GLY GLN TYR SEQRES 32 E 532 ARG ALA VAL SER SER PRO ASP ARG ILE LEU PRO LEU LYS SEQRES 33 E 532 GLU SER LEU CYS ARG VAL GLY VAL PHE LEU ASP TYR GLU SEQRES 34 E 532 ALA GLY ASP VAL SER PHE TYR ASN MET ARG ASP ARG SER SEQRES 35 E 532 HIS ILE TYR THR CYS PRO ARG SER ALA PHE SER VAL PRO SEQRES 36 E 532 VAL ARG PRO PHE PHE ARG LEU GLY CYS GLU ASP SER PRO SEQRES 37 E 532 ILE PHE ILE CYS PRO ALA LEU THR GLY ALA ASN GLY VAL SEQRES 38 E 532 THR VAL PRO GLU GLU GLY LEU THR LEU HIS ARG VAL GLY SEQRES 39 E 532 THR HIS GLN SER LEU GLY GLY GLY GLY SER TRP SER HIS SEQRES 40 E 532 PRO GLN PHE GLU LYS GLY GLY GLY SER GLY GLY GLY SER SEQRES 41 E 532 GLY GLY SER ALA TRP SER HIS PRO GLN PHE GLU LYS SEQRES 1 F 532 GLN PHE ILE VAL VAL GLY PRO THR ASP PRO ILE LEU ALA SEQRES 2 F 532 THR VAL GLY GLU ASN THR THR LEU ARG CYS HIS LEU SER SEQRES 3 F 532 PRO GLU LYS ASN ALA GLU ASP MET GLU VAL ARG TRP PHE SEQRES 4 F 532 ARG SER GLN PHE SER PRO ALA VAL PHE VAL TYR LYS GLY SEQRES 5 F 532 GLY ARG GLU ARG THR GLU GLU GLN MET GLU GLU TYR ARG SEQRES 6 F 532 GLY ARG THR THR PHE VAL SER LYS ASP ILE SER ARG GLY SEQRES 7 F 532 SER VAL ALA LEU VAL ILE HIS ASN ILE THR ALA GLN GLU SEQRES 8 F 532 ASN GLY THR TYR ARG CYS TYR PHE GLN GLU GLY ARG SER SEQRES 9 F 532 TYR ASP GLU ALA ILE LEU HIS LEU VAL VAL ALA GLY LEU SEQRES 10 F 532 GLY SER LYS PRO LEU ILE SER MET ARG GLY HIS GLU ASP SEQRES 11 F 532 GLY GLY ILE ARG LEU GLU CYS ILE SER ARG GLY TRP TYR SEQRES 12 F 532 PRO LYS PRO LEU THR VAL TRP ARG ASP PRO TYR GLY GLY SEQRES 13 F 532 VAL ALA PRO ALA LEU LYS GLU VAL SER MET PRO ASP ALA SEQRES 14 F 532 ASP GLY LEU PHE MET VAL THR THR ALA VAL ILE ILE ARG SEQRES 15 F 532 ASP LYS SER VAL ARG ASN MET SER CYS SER ILE ASN ASN SEQRES 16 F 532 THR LEU LEU GLY GLN LYS LYS GLU SER VAL ILE PHE ILE SEQRES 17 F 532 PRO GLU SER PHE MET PRO SER VAL SER PRO CYS ALA VAL SEQRES 18 F 532 ALA LEU PRO ILE ILE VAL VAL ILE LEU MET ILE PRO ILE SEQRES 19 F 532 ALA VAL CYS ILE TYR TRP ILE ASN LYS LEU GLN LYS GLU SEQRES 20 F 532 LYS LYS ILE LEU SER GLY GLU LYS GLU PHE GLU ARG GLU SEQRES 21 F 532 THR ARG GLU ILE ALA LEU LYS GLU LEU GLU LYS GLU ARG SEQRES 22 F 532 VAL GLN LYS GLU GLU GLU LEU GLN VAL LYS GLU LYS LEU SEQRES 23 F 532 GLN GLU GLU LEU ARG TRP ARG ARG THR PHE LEU HIS ALA SEQRES 24 F 532 VAL ASP VAL VAL LEU ASP PRO ASP THR ALA HIS PRO ASP SEQRES 25 F 532 LEU PHE LEU SER GLU ASP ARG ARG SER VAL ARG ARG CYS SEQRES 26 F 532 PRO PHE ARG HIS LEU GLY GLU SER VAL PRO ASP ASN PRO SEQRES 27 F 532 GLU ARG PHE ASP SER GLN PRO CYS VAL LEU GLY ARG GLU SEQRES 28 F 532 SER PHE ALA SER GLY LYS HIS TYR TRP GLU VAL GLU VAL SEQRES 29 F 532 GLU ASN VAL ILE GLU TRP THR VAL GLY VAL CYS ARG ASP SEQRES 30 F 532 SER VAL GLU ARG LYS GLY GLU VAL LEU LEU ILE PRO GLN SEQRES 31 F 532 ASN GLY PHE TRP THR LEU GLU MET HIS LYS GLY GLN TYR SEQRES 32 F 532 ARG ALA VAL SER SER PRO ASP ARG ILE LEU PRO LEU LYS SEQRES 33 F 532 GLU SER LEU CYS ARG VAL GLY VAL PHE LEU ASP TYR GLU SEQRES 34 F 532 ALA GLY ASP VAL SER PHE TYR ASN MET ARG ASP ARG SER SEQRES 35 F 532 HIS ILE TYR THR CYS PRO ARG SER ALA PHE SER VAL PRO SEQRES 36 F 532 VAL ARG PRO PHE PHE ARG LEU GLY CYS GLU ASP SER PRO SEQRES 37 F 532 ILE PHE ILE CYS PRO ALA LEU THR GLY ALA ASN GLY VAL SEQRES 38 F 532 THR VAL PRO GLU GLU GLY LEU THR LEU HIS ARG VAL GLY SEQRES 39 F 532 THR HIS GLN SER LEU GLY GLY GLY GLY SER TRP SER HIS SEQRES 40 F 532 PRO GLN PHE GLU LYS GLY GLY GLY SER GLY GLY GLY SER SEQRES 41 F 532 GLY GLY SER ALA TRP SER HIS PRO GLN PHE GLU LYS SEQRES 1 H 231 GLU VAL LYS LEU LEU GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 H 231 PRO GLY GLY SER LEU LYS LEU SER CYS ALA ALA SER GLY SEQRES 3 H 231 PHE ASP PHE SER ARG TYR TRP MET SER TRP VAL ARG GLN SEQRES 4 H 231 ALA PRO GLY LYS GLY LEU GLU TRP ILE GLY GLU ILE ASN SEQRES 5 H 231 PRO GLY SER ILE THR ILE ASN TYR THR PRO SER LEU LYS SEQRES 6 H 231 ASP LYS PHE ILE ILE SER ARG ASP ASN ALA LYS ASN THR SEQRES 7 H 231 LEU TYR LEU GLN MET SER LYS VAL SER SER GLU ASP THR SEQRES 8 H 231 ALA LEU TYR TYR CYS ALA ARG GLN ARG LYS TRP PHE ARG SEQRES 9 H 231 ARG ASP ALA MET ASP TYR TRP GLY GLN GLY THR SER VAL SEQRES 10 H 231 THR VAL SER SER ALA LYS THR THR ALA PRO SER VAL TYR SEQRES 11 H 231 PRO LEU ALA PRO VAL CYS GLY ASP THR THR GLY SER SER SEQRES 12 H 231 VAL THR LEU GLY CYS LEU VAL LYS GLY TYR PHE PRO GLU SEQRES 13 H 231 PRO VAL THR LEU THR TRP ASN SER GLY SER LEU SER SER SEQRES 14 H 231 GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER ASP LEU SEQRES 15 H 231 TYR THR LEU SER SER SER VAL THR VAL THR SER SER THR SEQRES 16 H 231 TRP PRO SER GLN SER ILE THR CYS ASN VAL ALA HIS PRO SEQRES 17 H 231 ALA SER SER THR LYS VAL ASP LYS LYS ILE GLU PRO ARG SEQRES 18 H 231 GLY PRO THR ILE LYS PRO CYS PRO PRO CYS SEQRES 1 I 218 ASP ILE VAL LEU THR GLN SER PRO ALA SER LEU ALA VAL SEQRES 2 I 218 SER LEU GLY GLN ARG ALA THR VAL SER CYS LYS ALA SER SEQRES 3 I 218 HIS SER VAL ASP TYR ASP GLY ASP SER TYR VAL ASN TRP SEQRES 4 I 218 TYR GLN GLN LYS PRO GLY GLN PRO PRO LYS LEU LEU ILE SEQRES 5 I 218 SER ALA ALA SER ASN LEU GLU SER GLY ILE PRO ALA ARG SEQRES 6 I 218 PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU ASN SEQRES 7 I 218 ILE HIS PRO VAL GLU GLU GLU ASP ALA ALA THR TYR TYR SEQRES 8 I 218 CYS GLN GLN SER TYR GLY ASP PRO TRP THR PHE GLY GLY SEQRES 9 I 218 GLY THR LYS LEU GLU ILE LYS ARG ALA ASP ALA ALA PRO SEQRES 10 I 218 THR VAL SER ILE PHE PRO PRO SER SER GLU GLN LEU THR SEQRES 11 I 218 SER GLY GLY ALA SER VAL VAL CYS PHE LEU ASN ASN PHE SEQRES 12 I 218 TYR PRO LYS ASP ILE ASN VAL LYS TRP LYS ILE ASP GLY SEQRES 13 I 218 SER GLU ARG GLN ASN GLY VAL LEU ASN SER TRP THR ASP SEQRES 14 I 218 GLN ASP SER LYS ASP SER THR TYR SER MET SER SER THR SEQRES 15 I 218 LEU THR LEU THR LYS ASP GLU TYR GLU ARG HIS ASN SER SEQRES 16 I 218 TYR THR CYS GLU ALA THR HIS LYS THR SER THR SER PRO SEQRES 17 I 218 ILE VAL LYS SER PHE ASN ARG ASN GLU CYS SEQRES 1 J 231 GLU VAL LYS LEU LEU GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 J 231 PRO GLY GLY SER LEU LYS LEU SER CYS ALA ALA SER GLY SEQRES 3 J 231 PHE ASP PHE SER ARG TYR TRP MET SER TRP VAL ARG GLN SEQRES 4 J 231 ALA PRO GLY LYS GLY LEU GLU TRP ILE GLY GLU ILE ASN SEQRES 5 J 231 PRO GLY SER ILE THR ILE ASN TYR THR PRO SER LEU LYS SEQRES 6 J 231 ASP LYS PHE ILE ILE SER ARG ASP ASN ALA LYS ASN THR SEQRES 7 J 231 LEU TYR LEU GLN MET SER LYS VAL SER SER GLU ASP THR SEQRES 8 J 231 ALA LEU TYR TYR CYS ALA ARG GLN ARG LYS TRP PHE ARG SEQRES 9 J 231 ARG ASP ALA MET ASP TYR TRP GLY GLN GLY THR SER VAL SEQRES 10 J 231 THR VAL SER SER ALA LYS THR THR ALA PRO SER VAL TYR SEQRES 11 J 231 PRO LEU ALA PRO VAL CYS GLY ASP THR THR GLY SER SER SEQRES 12 J 231 VAL THR LEU GLY CYS LEU VAL LYS GLY TYR PHE PRO GLU SEQRES 13 J 231 PRO VAL THR LEU THR TRP ASN SER GLY SER LEU SER SER SEQRES 14 J 231 GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER ASP LEU SEQRES 15 J 231 TYR THR LEU SER SER SER VAL THR VAL THR SER SER THR SEQRES 16 J 231 TRP PRO SER GLN SER ILE THR CYS ASN VAL ALA HIS PRO SEQRES 17 J 231 ALA SER SER THR LYS VAL ASP LYS LYS ILE GLU PRO ARG SEQRES 18 J 231 GLY PRO THR ILE LYS PRO CYS PRO PRO CYS SEQRES 1 K 218 ASP ILE VAL LEU THR GLN SER PRO ALA SER LEU ALA VAL SEQRES 2 K 218 SER LEU GLY GLN ARG ALA THR VAL SER CYS LYS ALA SER SEQRES 3 K 218 HIS SER VAL ASP TYR ASP GLY ASP SER TYR VAL ASN TRP SEQRES 4 K 218 TYR GLN GLN LYS PRO GLY GLN PRO PRO LYS LEU LEU ILE SEQRES 5 K 218 SER ALA ALA SER ASN LEU GLU SER GLY ILE PRO ALA ARG SEQRES 6 K 218 PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU ASN SEQRES 7 K 218 ILE HIS PRO VAL GLU GLU GLU ASP ALA ALA THR TYR TYR SEQRES 8 K 218 CYS GLN GLN SER TYR GLY ASP PRO TRP THR PHE GLY GLY SEQRES 9 K 218 GLY THR LYS LEU GLU ILE LYS ARG ALA ASP ALA ALA PRO SEQRES 10 K 218 THR VAL SER ILE PHE PRO PRO SER SER GLU GLN LEU THR SEQRES 11 K 218 SER GLY GLY ALA SER VAL VAL CYS PHE LEU ASN ASN PHE SEQRES 12 K 218 TYR PRO LYS ASP ILE ASN VAL LYS TRP LYS ILE ASP GLY SEQRES 13 K 218 SER GLU ARG GLN ASN GLY VAL LEU ASN SER TRP THR ASP SEQRES 14 K 218 GLN ASP SER LYS ASP SER THR TYR SER MET SER SER THR SEQRES 15 K 218 LEU THR LEU THR LYS ASP GLU TYR GLU ARG HIS ASN SER SEQRES 16 K 218 TYR THR CYS GLU ALA THR HIS LYS THR SER THR SER PRO SEQRES 17 K 218 ILE VAL LYS SER PHE ASN ARG ASN GLU CYS HET NAG A 1 14 HET NAG A 2 14 HET NAG B 1 14 HET NAG B 2 14 HET NAG C 1 14 HET NAG C 2 14 HET NAG E 601 14 HET NAG E 602 14 HET NAG E 603 14 HET NAG F 601 14 HET NAG F 602 14 HET NAG F 603 14 HET NAG F 604 14 HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE 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 FORMUL 7 NAG 13(C8 H15 N O6) HELIX 1 AA1 ARG E 56 GLN E 60 5 5 HELIX 2 AA2 ASP E 74 GLY E 78 5 5 HELIX 3 AA3 THR E 88 ASN E 92 5 5 HELIX 4 AA4 PRO E 209 MET E 213 5 5 HELIX 5 AA5 THR F 88 ASN F 92 5 5 HELIX 6 AA6 PRO F 209 MET F 213 5 5 HELIX 7 AA7 ASP H 28 TYR H 32 5 5 HELIX 8 AA8 PRO H 62 ASP H 66 5 5 HELIX 9 AA9 SER H 194 GLN H 199 1 6 HELIX 10 AB1 GLU I 83 ALA I 87 5 5 HELIX 11 AB2 SER I 125 SER I 131 1 7 HELIX 12 AB3 LYS I 187 HIS I 193 1 7 HELIX 13 AB4 ASP J 28 TYR J 32 5 5 HELIX 14 AB5 PRO J 62 LYS J 65 5 4 HELIX 15 AB6 VAL J 135 THR J 139 5 5 HELIX 16 AB7 SER J 164 SER J 166 5 3 HELIX 17 AB8 GLU K 83 ALA K 87 5 5 HELIX 18 AB9 SER K 125 GLY K 132 1 8 SHEET 1 AA1 4 VAL E 4 VAL E 5 0 SHEET 2 AA1 4 THR E 19 LEU E 25 -1 O HIS E 24 N VAL E 5 SHEET 3 AA1 4 VAL E 80 ILE E 84 -1 O VAL E 80 N CYS E 23 SHEET 4 AA1 4 THR E 68 VAL E 71 -1 N THR E 69 O VAL E 83 SHEET 1 AA2 5 ILE E 11 THR E 14 0 SHEET 2 AA2 5 TYR E 105 ALA E 115 1 O HIS E 111 N ILE E 11 SHEET 3 AA2 5 GLY E 93 GLN E 100 -1 N GLY E 93 O LEU E 112 SHEET 4 AA2 5 GLU E 35 TRP E 38 -1 N ARG E 37 O TYR E 98 SHEET 5 AA2 5 PHE E 48 LYS E 51 -1 O PHE E 48 N TRP E 38 SHEET 1 AA3 4 LEU E 122 HIS E 128 0 SHEET 2 AA3 4 ILE E 133 TRP E 142 -1 O ARG E 134 N ARG E 126 SHEET 3 AA3 4 PHE E 173 ILE E 181 -1 O VAL E 179 N LEU E 135 SHEET 4 AA3 4 LYS E 162 GLU E 163 -1 N LYS E 162 O ALA E 178 SHEET 1 AA4 4 LEU E 122 HIS E 128 0 SHEET 2 AA4 4 ILE E 133 TRP E 142 -1 O ARG E 134 N ARG E 126 SHEET 3 AA4 4 PHE E 173 ILE E 181 -1 O VAL E 179 N LEU E 135 SHEET 4 AA4 4 MET E 166 PRO E 167 -1 N MET E 166 O MET E 174 SHEET 1 AA5 4 VAL E 157 ALA E 158 0 SHEET 2 AA5 4 LEU E 147 ARG E 151 -1 N TRP E 150 O ALA E 158 SHEET 3 AA5 4 ASN E 188 ASN E 195 -1 O ASN E 194 N LEU E 147 SHEET 4 AA5 4 GLN E 200 PHE E 207 -1 O LYS E 202 N ILE E 193 SHEET 1 AA6 4 VAL F 4 VAL F 5 0 SHEET 2 AA6 4 THR F 19 LEU F 25 -1 O HIS F 24 N VAL F 5 SHEET 3 AA6 4 VAL F 80 ILE F 84 -1 O VAL F 80 N CYS F 23 SHEET 4 AA6 4 THR F 68 VAL F 71 -1 N THR F 69 O VAL F 83 SHEET 1 AA7 4 ILE F 11 THR F 14 0 SHEET 2 AA7 4 SER F 104 ALA F 115 1 O HIS F 111 N ILE F 11 SHEET 3 AA7 4 GLY F 93 GLU F 101 -1 N TYR F 95 O LEU F 110 SHEET 4 AA7 4 GLU F 35 ARG F 37 -1 N GLU F 35 O GLN F 100 SHEET 1 AA8 4 LEU F 122 GLU F 129 0 SHEET 2 AA8 4 GLY F 132 TRP F 142 -1 O ARG F 134 N ARG F 126 SHEET 3 AA8 4 PHE F 173 ILE F 181 -1 O PHE F 173 N TRP F 142 SHEET 4 AA8 4 LYS F 162 GLU F 163 -1 N LYS F 162 O ALA F 178 SHEET 1 AA9 4 LEU F 122 GLU F 129 0 SHEET 2 AA9 4 GLY F 132 TRP F 142 -1 O ARG F 134 N ARG F 126 SHEET 3 AA9 4 PHE F 173 ILE F 181 -1 O PHE F 173 N TRP F 142 SHEET 4 AA9 4 MET F 166 PRO F 167 -1 N MET F 166 O MET F 174 SHEET 1 AB1 3 LEU F 147 TRP F 150 0 SHEET 2 AB1 3 ASN F 188 ASN F 195 -1 O SER F 192 N VAL F 149 SHEET 3 AB1 3 GLN F 200 LYS F 202 -1 O GLN F 200 N ASN F 195 SHEET 1 AB2 3 LEU F 147 TRP F 150 0 SHEET 2 AB2 3 ASN F 188 ASN F 195 -1 O SER F 192 N VAL F 149 SHEET 3 AB2 3 VAL F 205 PHE F 207 -1 O ILE F 206 N MET F 189 SHEET 1 AB3 4 LYS H 3 GLU H 6 0 SHEET 2 AB3 4 SER H 17 SER H 25 -1 O ALA H 23 N LEU H 5 SHEET 3 AB3 4 THR H 78 SER H 84 -1 O LEU H 81 N LEU H 20 SHEET 4 AB3 4 PHE H 68 ASP H 73 -1 N ILE H 69 O GLN H 82 SHEET 1 AB4 6 LEU H 11 VAL H 12 0 SHEET 2 AB4 6 THR H 115 VAL H 119 1 O THR H 118 N VAL H 12 SHEET 3 AB4 6 ALA H 92 ARG H 100 -1 N ALA H 92 O VAL H 117 SHEET 4 AB4 6 TRP H 33 GLN H 39 -1 N VAL H 37 O TYR H 95 SHEET 5 AB4 6 LEU H 45 ILE H 51 -1 O ILE H 48 N TRP H 36 SHEET 6 AB4 6 ILE H 58 TYR H 60 -1 O ASN H 59 N GLU H 50 SHEET 1 AB5 4 LEU H 11 VAL H 12 0 SHEET 2 AB5 4 THR H 115 VAL H 119 1 O THR H 118 N VAL H 12 SHEET 3 AB5 4 ALA H 92 ARG H 100 -1 N ALA H 92 O VAL H 117 SHEET 4 AB5 4 ALA H 107 TRP H 111 -1 O ALA H 107 N ARG H 100 SHEET 1 AB6 4 SER H 128 PRO H 131 0 SHEET 2 AB6 4 CYS H 148 LYS H 151 -1 O LEU H 149 N TYR H 130 SHEET 3 AB6 4 TYR H 183 SER H 187 -1 O LEU H 185 N VAL H 150 SHEET 4 AB6 4 THR H 173 LEU H 178 -1 N PHE H 174 O SER H 186 SHEET 1 AB7 2 SER H 143 THR H 145 0 SHEET 2 AB7 2 THR H 190 THR H 192 -1 O VAL H 191 N VAL H 144 SHEET 1 AB8 3 THR H 159 TRP H 162 0 SHEET 2 AB8 3 THR H 202 ALA H 206 -1 O ALA H 206 N THR H 159 SHEET 3 AB8 3 VAL H 214 LYS H 217 -1 O LYS H 216 N CYS H 203 SHEET 1 AB9 4 THR I 5 SER I 7 0 SHEET 2 AB9 4 ALA I 19 LYS I 24 -1 O SER I 22 N SER I 7 SHEET 3 AB9 4 THR I 76 ILE I 79 -1 O LEU I 77 N VAL I 21 SHEET 4 AB9 4 PHE I 66 SER I 67 -1 N SER I 67 O ASN I 78 SHEET 1 AC1 5 SER I 10 SER I 14 0 SHEET 2 AC1 5 THR I 106 LYS I 111 1 O GLU I 109 N VAL I 13 SHEET 3 AC1 5 THR I 89 GLN I 94 -1 N TYR I 90 O THR I 106 SHEET 4 AC1 5 VAL I 37 GLN I 42 -1 N ASN I 38 O GLN I 93 SHEET 5 AC1 5 LYS I 49 ILE I 52 -1 O LYS I 49 N GLN I 41 SHEET 1 AC2 4 THR I 118 PHE I 122 0 SHEET 2 AC2 4 VAL I 137 PHE I 143 -1 O PHE I 139 N SER I 120 SHEET 3 AC2 4 TYR I 177 LEU I 183 -1 O MET I 179 N LEU I 140 SHEET 4 AC2 4 VAL I 163 TRP I 167 -1 N LEU I 164 O THR I 182 SHEET 1 AC3 2 GLY I 133 ALA I 134 0 SHEET 2 AC3 2 LEU I 185 THR I 186 -1 O LEU I 185 N ALA I 134 SHEET 1 AC4 3 ILE I 148 LYS I 153 0 SHEET 2 AC4 3 TYR I 196 HIS I 202 -1 O THR I 201 N ASN I 149 SHEET 3 AC4 3 SER I 205 PHE I 213 -1 O PHE I 213 N TYR I 196 SHEET 1 AC5 4 LYS J 3 SER J 7 0 SHEET 2 AC5 4 SER J 17 SER J 25 -1 O ALA J 23 N LEU J 5 SHEET 3 AC5 4 THR J 78 SER J 84 -1 O LEU J 81 N LEU J 20 SHEET 4 AC5 4 PHE J 68 ASP J 73 -1 N ILE J 69 O GLN J 82 SHEET 1 AC6 6 GLY J 10 VAL J 12 0 SHEET 2 AC6 6 THR J 115 VAL J 119 1 O THR J 118 N GLY J 10 SHEET 3 AC6 6 ALA J 92 ARG J 100 -1 N ALA J 92 O VAL J 117 SHEET 4 AC6 6 TRP J 33 GLN J 39 -1 N VAL J 37 O TYR J 95 SHEET 5 AC6 6 LEU J 45 ILE J 51 -1 O ILE J 51 N MET J 34 SHEET 6 AC6 6 ILE J 58 TYR J 60 -1 O ASN J 59 N GLU J 50 SHEET 1 AC7 4 GLY J 10 VAL J 12 0 SHEET 2 AC7 4 THR J 115 VAL J 119 1 O THR J 118 N GLY J 10 SHEET 3 AC7 4 ALA J 92 ARG J 100 -1 N ALA J 92 O VAL J 117 SHEET 4 AC7 4 ALA J 107 TRP J 111 -1 O ALA J 107 N ARG J 100 SHEET 1 AC8 4 VAL J 129 TYR J 130 0 SHEET 2 AC8 4 LEU J 149 LYS J 151 -1 O LEU J 149 N TYR J 130 SHEET 3 AC8 4 LEU J 182 THR J 192 -1 O LEU J 185 N VAL J 150 SHEET 4 AC8 4 SER J 143 LEU J 146 -1 N VAL J 144 O VAL J 191 SHEET 1 AC9 4 VAL J 129 TYR J 130 0 SHEET 2 AC9 4 LEU J 149 LYS J 151 -1 O LEU J 149 N TYR J 130 SHEET 3 AC9 4 LEU J 182 THR J 192 -1 O LEU J 185 N VAL J 150 SHEET 4 AC9 4 VAL J 171 GLN J 179 -1 N PHE J 174 O SER J 186 SHEET 1 AD1 3 THR J 159 TRP J 162 0 SHEET 2 AD1 3 ILE J 201 HIS J 207 -1 O ASN J 204 N THR J 161 SHEET 3 AD1 3 THR J 212 VAL J 214 -1 O THR J 212 N HIS J 207 SHEET 1 AD2 3 THR J 159 TRP J 162 0 SHEET 2 AD2 3 ILE J 201 HIS J 207 -1 O ASN J 204 N THR J 161 SHEET 3 AD2 3 LYS J 217 ILE J 218 -1 O ILE J 218 N ILE J 201 SHEET 1 AD3 4 LEU K 4 SER K 7 0 SHEET 2 AD3 4 ALA K 19 ALA K 25 -1 O SER K 22 N SER K 7 SHEET 3 AD3 4 ASP K 74 ILE K 79 -1 O PHE K 75 N CYS K 23 SHEET 4 AD3 4 PHE K 66 SER K 71 -1 N SER K 67 O ASN K 78 SHEET 1 AD4 5 LEU K 11 SER K 14 0 SHEET 2 AD4 5 THR K 106 LYS K 111 1 O GLU K 109 N VAL K 13 SHEET 3 AD4 5 THR K 89 TYR K 91 -1 N TYR K 90 O THR K 106 SHEET 4 AD4 5 TRP K 39 GLN K 42 -1 N TYR K 40 O TYR K 91 SHEET 5 AD4 5 LYS K 49 ILE K 52 -1 O LYS K 49 N GLN K 41 SHEET 1 AD5 2 ASP K 30 TYR K 31 0 SHEET 2 AD5 2 ASP K 34 SER K 35 -1 O ASP K 34 N TYR K 31 SHEET 1 AD6 4 THR K 118 PHE K 122 0 SHEET 2 AD6 4 VAL K 137 PHE K 143 -1 O VAL K 137 N PHE K 122 SHEET 3 AD6 4 TYR K 177 THR K 182 -1 O TYR K 177 N PHE K 143 SHEET 4 AD6 4 SER K 166 TRP K 167 -1 N SER K 166 O SER K 180 SHEET 1 AD7 3 LYS K 151 LYS K 153 0 SHEET 2 AD7 3 TYR K 196 ALA K 200 -1 O THR K 197 N LYS K 153 SHEET 3 AD7 3 ILE K 209 PHE K 213 -1 O LYS K 211 N CYS K 198 SSBOND 1 CYS E 23 CYS E 97 1555 1555 2.03 SSBOND 2 CYS E 137 CYS E 191 1555 1555 2.04 SSBOND 3 CYS F 23 CYS F 97 1555 1555 2.04 SSBOND 4 CYS F 137 CYS F 191 1555 1555 2.04 SSBOND 5 CYS H 22 CYS H 96 1555 1555 2.04 SSBOND 6 CYS H 148 CYS H 203 1555 1555 2.04 SSBOND 7 CYS I 23 CYS I 92 1555 1555 2.04 SSBOND 8 CYS I 138 CYS I 198 1555 1555 2.03 SSBOND 9 CYS J 22 CYS J 96 1555 1555 2.04 SSBOND 10 CYS J 148 CYS J 203 1555 1555 2.05 SSBOND 11 CYS K 23 CYS K 92 1555 1555 2.04 SSBOND 12 CYS K 138 CYS K 198 1555 1555 2.04 LINK ND2 ASN E 18 C1 NAG E 601 1555 1555 1.44 LINK ND2 ASN E 86 C1 NAG E 602 1555 1555 1.44 LINK ND2 ASN E 92 C1 NAG A 1 1555 1555 1.44 LINK ND2 ASN E 188 C1 NAG E 603 1555 1555 1.44 LINK ND2 ASN E 194 C1 NAG B 1 1555 1555 1.44 LINK ND2 ASN F 18 C1 NAG F 601 1555 1555 1.44 LINK ND2 ASN F 86 C1 NAG F 602 1555 1555 1.44 LINK ND2 ASN F 92 C1 NAG C 1 1555 1555 1.44 LINK ND2 ASN F 188 C1 NAG F 603 1555 1555 1.45 LINK ND2 ASN F 194 C1 NAG F 604 1555 1555 1.45 LINK O4 NAG A 1 C1 NAG A 2 1555 1555 1.44 LINK O4 NAG B 1 C1 NAG B 2 1555 1555 1.44 LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.44 CISPEP 1 SER E 44 PRO E 45 0 2.31 CISPEP 2 TYR E 143 PRO E 144 0 -1.93 CISPEP 3 SER F 44 PRO F 45 0 -3.87 CISPEP 4 TYR F 143 PRO F 144 0 -0.10 CISPEP 5 SER I 7 PRO I 8 0 -8.06 CISPEP 6 HIS I 80 PRO I 81 0 -4.26 CISPEP 7 ASP I 98 PRO I 99 0 -2.68 CISPEP 8 TYR I 144 PRO I 145 0 -1.82 CISPEP 9 SER K 7 PRO K 8 0 -12.15 CISPEP 10 HIS K 80 PRO K 81 0 -3.61 CISPEP 11 ASP K 98 PRO K 99 0 -3.29 CISPEP 12 TYR K 144 PRO K 145 0 -0.34 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