ID 5VLIA STANDARD; PRT; 327 AA. DT CONVERTED FROM PDB (SEQRES) 5VLI DE Hemagglutinin OS Influenza A virus (strain A/Puerto Rico/8/1934 H1N1) CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.800 CC R-Factor 0.184 FT #SUB 1 5 ALA A 139 639 GLU B Protein S 3 FT #SUB 1 5 ALA A 140 640 PHE B Protein S 1 FT #SUB 2 6 ASP A 27 527 GLN B Protein A 3 FT #SUB 2 6 ASP A 28 528 ASN B Protein S 7 FT #SUB 2 6 ASP A 29 529 GLU B Protein S 1 FT #SUB 2 6 ASP A 139 639 GLU B Protein B 3 FT #SUB 2 6 ASP A 140 640 PHE B Protein B 5 FT #SUB 2 6 ASP A 143 643 LYS B Protein S 2 FT #SUB 2 6 ASP A 144 644 CYS B Protein S 5 FT #SUB 3 7 THR A 26 526 HIS B Protein B 3 FT #SUB 3 7 THR A 27 527 GLN B Protein A 7 FT #SUB 3 7 THR A 138 638 PHE B Protein A 4 FT #SUB 3 7 THR A 140 640 PHE B Protein B 1 FT #SUB 3 7 THR A 149 649 MET B Protein B 1 FT #SUB 4 8 ILE A 25 525 HIS B Protein A 3 FT #SUB 4 8 ILE A 137 637 CYS B Protein B 2 FT #SUB 4 8 ILE A 138 638 PHE B Protein B 8 FT #SUB 4 8 ILE A 140 640 PHE B Protein A 3 FT #SUB 4 8 ILE A 152 652 VAL B Protein S 1 FT #SUB 5 9 CYS A 14 514 TRP B Protein A 3 FT #SUB 5 9 CYS A 23 523 GLY B Protein B 1 FT #SUB 5 9 CYS A 24 524 TYR B Protein B 3 FT #SUB 5 9 CYS A 25 525 HIS B Protein A 7 FT #SUB 5 9 CYS A 136 636 GLY B Protein A 3 FT #SUB 5 9 CYS A 137 637 CYS B Protein A 5 FT #SUB 6 10 ILE A 10 510 ILE B Protein B 2 FT #SUB 6 10 ILE A 14 514 TRP B Protein B 3 FT #SUB 6 10 ILE A 23 523 GLY B Protein B 2 FT #SUB 6 10 ILE A 119 619 TYR B Protein S 1 FT #SUB 6 10 ILE A 122 622 VAL B Protein S 2 FT #SUB 6 10 ILE A 136 636 GLY B Protein B 4 FT #SUB 6 10 ILE A 138 638 PHE B Protein S 1 FT #SUB 7 11 GLY A 14 514 TRP B Protein B 8 FT #SUB 7 11 GLY A 17 517 MET B Protein B 1 FT #SUB 7 11 GLY A 22 522 TYR B Protein B 3 FT #SUB 7 11 GLY A 23 523 GLY B Protein B 7 FT #SUB 8 12 TYR A 6 506 ILE B Protein S 6 FT #SUB 8 12 TYR A 7 507 ALA B Protein S 3 FT #SUB 8 12 TYR A 10 510 ILE B Protein S 6 FT #SUB 8 12 TYR A 11 511 GLU B Protein S 2 FT #SUB 8 12 TYR A 12 512 GLY B Protein S 9 FT #SUB 8 12 TYR A 13 513 GLY B Protein A 7 FT #SUB 8 12 TYR A 14 514 TRP B Protein B 3 FT #SUB 8 12 TYR A 17 517 MET B Protein B 2 FT #SUB 8 12 TYR A 21 521 TRP B Protein A 3 FT #SUB 8 12 TYR A 115 615 VAL B Protein S 1 FT #SUB 9 13 HIS A 14 514 TRP B Protein B 2 FT #SUB 9 13 HIS A 17 517 MET B Protein A 6 FT #SUB 9 13 HIS A 20 520 GLY B Protein S 3 FT #SUB 9 13 HIS A 21 521 TRP B Protein A 5 FT #SUB 10 14 ALA A 13 513 GLY B Protein S 2 FT #SUB 10 14 ALA A 14 514 TRP B Protein A 7 FT #SUB 10 14 ALA A 15 515 THR B Protein A 4 FT #SUB 17 21 VAL A 104 604 ASN B Protein S 1 FT #SUB 18 22 ASP A 101 601 LEU B Protein A 3 FT #SUB 18 22 ASP A 104 604 ASN B Protein B 3 FT #SUB 19 23 THR A 101 601 LEU B Protein B 2 FT #SUB 19 23 THR A 104 604 ASN B Protein S 2 FT #SUB 19 23 THR A 105 605 GLU B Protein S 4 FT #SUB 19 23 THR A 108 608 LEU B Protein S 1 FT #SUB 20 24 VAL A 101 601 LEU B Protein A 2 FT #SUB 20 24 VAL A 105 605 GLU B Protein A 4 FT #SUB 21 25 LEU A 105 605 GLU B Protein A 3 FT #SUB 28 32 THR A 21 521 TRP B Protein S 1 FT #SUB 29 33 HIS A 21 521 TRP B Protein S 2 FT #SUB 33 37 LEU A 100 600 VAL B Protein S 1 FT #SUB 100 103 GLU A 69 569 GLU B Protein S 4 FT #SUB 100 103 GLU A 71 571 ASN B Protein S 4 FT #SUB 103 106 ARG A 69 569 GLU B Protein S 9 FT #SUB 104 107 GLU A 68 568 LYS B Protein S 7 FT #SUB 262 265 GLY A 64 564 THR B Protein B 8 FT #SUB 263 266 SER A 64 564 THR B Protein B 1 FT #SUB 265 268 ILE A 66 566 VAL B Protein B 2 FT #SUB 291 294 PRO A 56 556 ILE B Protein S 3 FT #SUB 291 294 PRO A 59 559 MET B Protein S 1 FT #SUB 291 294 PRO A 60 560 ASN B Protein A 8 FT #SUB 292 295 TYR A 59 559 MET B Protein S 4 FT #SUB 292 295 TYR A 96 596 ALA B Protein S 4 FT #SUB 297 300 PRO A 62 562 GLN B Protein B 1 FT #SUB 297 300 PRO A 65 565 ALA B Protein B 1 FT #SUB 298 301 VAL A 65 565 ALA B Protein A 4 FT #SUB 299 302 THR A 62 562 GLN B Protein S 5 FT #SUB 299 302 THR A 63 563 PHE B Protein S 1 FT #SUB 299 302 THR A 64 564 THR B Protein B 4 FT #SUB 299 302 THR A 65 565 ALA B Protein A 7 FT #SUB 300 303 ILE A 64 564 THR B Protein A 3 FT #SUB 300 303 ILE A 66 566 VAL B Protein S 1 FT #SUB 301 304 GLY A 62 562 GLN B Protein B 1 FT #SUB 301 304 GLY A 63 563 PHE B Protein B 3 FT #SUB 301 304 GLY A 64 564 THR B Protein B 4 FT #SUB 302 305 GLU A 61 561 ILE B Protein B 2 FT #SUB 302 305 GLU A 62 562 GLN B Protein B 2 FT #SUB 302 305 GLU A 63 563 PHE B Protein S 2 FT #SUB 303 306 CYS A 61 561 ILE B Protein B 8 FT #SUB 303 306 CYS A 62 562 GLN B Protein A 8 FT #SUB 304 307 PRO A 60 560 ASN B Protein B 1 FT #SUB 304 307 PRO A 62 562 GLN B Protein B 3 FT #SUB 305 308 LYS A 59 559 MET B Protein S 3 FT #SUB 305 308 LYS A 62 562 GLN B Protein A 3 FT #SUB 305 308 LYS A 92 592 TRP B Protein S 5 FT #SUB 306 309 TYR A 62 562 GLN B Protein A 4 FT #SUB 306 309 TYR A 89 589 LEU B Protein A 4 FT #SUB 307 310 VAL A 89 589 LEU B Protein B 1 FT #SUB 307 310 VAL A 93 593 THR B Protein A 3 FT #SUB 308 311 ARG A 86 586 ASP B Protein S 1 FT #SUB 308 311 ARG A 89 589 LEU B Protein S 10 FT #SUB 308 311 ARG A 90 590 ASP B Protein S 6 FT #SUB 308 311 ARG A 93 593 THR B Protein A 4 FT #SUB 309 312 SER A 93 593 THR B Protein A 2 FT #SUB 309 312 SER A 97 597 GLU B Protein A 5 FT #SUB 312 315 LEU A 96 596 ALA B Protein S 3 FT #SUB 312 315 LEU A 97 597 GLU B Protein S 3 FT #SUB 313 316 ARG A 100 600 VAL B Protein B 2 FT #SUB 313 316 ARG A 104 604 ASN B Protein B 3 FT #SUB 314 317 MET A 51 551 LYS B Protein S 2 FT #SUB 314 317 MET A 52 552 VAL B Protein S 1 FT #SUB 314 317 MET A 55 555 VAL B Protein S 1 FT #SUB 314 317 MET A 104 604 ASN B Protein A 3 FT #SUB 315 318 VAL A 104 604 ASN B Protein A 7 FT #SUB 315 318 VAL A 107 607 THR B Protein A 4 FT #SUB 315 318 VAL A 108 608 LEU B Protein S 1 FT #SUB 316 319 THR A 21 521 TRP B Protein B 3 FT #SUB 316 319 THR A 48 548 ILE B Protein A 5 FT #SUB 316 319 THR A 107 607 THR B Protein B 1 FT #SUB 316 319 THR A 111 611 HIS B Protein B 4 FT #SUB 317 320 GLY A 21 521 TRP B Protein B 4 FT #SUB 317 320 GLY A 107 607 THR B Protein B 1 FT #SUB 317 320 GLY A 108 608 LEU B Protein B 1 FT #SUB 317 320 GLY A 111 611 HIS B Protein B 5 FT #SUB 318 321 LEU A 21 521 TRP B Protein S 2 FT #SUB 318 321 LEU A 22 522 TYR B Protein S 1 FT #SUB 318 321 LEU A 111 611 HIS B Protein S 5 FT #SUB 319 322 ARG A 108 608 LEU B Protein B 1 FT #SUB 321 324 ILE A 7 507 ALA B Protein S 2 FT #SUB 321 324 ILE A 11 511 GLU B Protein S 1 FT #SUB 321 324 ILE A 12 512 GLY B Protein A 3 FT #SUB 321 324 ILE A 13 513 GLY B Protein A 6 FT #SUB 322 325 PRO A 15 515 THR B Protein S 1 FT #SUB 29 33 HIS A 22 22 PHE C Protein S 1 FT #SUB 31 35 VAL A 10 10 PHE C Protein S 3 FT #SUB 31 35 VAL A 14 14 THR C Protein S 1 FT #SUB 32 36 ASN A 10 10 PHE C Protein B 2 FT #SUB 33 37 LEU A 10 10 PHE C Protein S 2 FT #SUB 289 292 SER A 10 10 PHE C Protein A 4 FT #SUB 289 292 SER A 13 13 GLN C Protein S 3 FT #SUB 290 293 LEU A 10 10 PHE C Protein S 2 FT #SUB 316 319 THR A 18 18 ILE C Protein S 1 FT #HET 52 55 GLN A 7 404 PGF A B 2 FT #HET 53 56 LEU A 7 404 PGF A B 3 FT #HET 55 58 LYS A 7 404 PGF A S 1 FT #HET 67 70 GLU A 7 404 PGF A B 2 FT #HET 70 73 PRO A 7 404 PGF A S 3 FT #HET 71 74 LEU A 7 404 PGF A S 4 FT #HET 276 279 ASN A 1 1 NAG D B 1 FT #MOD 12 16 ASN A 6 403 NAG A S FT #MOD 287 290 ASN A 1 1 NAG D S FT DISORDER 323 327 CC SEQUENCE 322 AA (ATOM); CC ADTICIGYHA NNSTDTVDTV LEKNVTVTHS VNLLEDSHNG KLCRLKGIAP LQLGKCNIAG CC WLLGNPECDP LLPVRSWSYI VETPNSENGI CYPGDFIDYE ELREQLSSVS SFERFEIFPK CC ESSWPNHNTN GVTAACSHEG KSSFYRNLLW LTEKEGSYPK LKNSYVNKKG KEVLVLWGIH CC HPPNSKEQQN LYQNENAYVS VVTSNYNRRF TPEIAERPKV RDQAGRMNYY WTLLKPGDTI CC IFEANGNLIA PMYAFALSRG FGSGIITSNA SMHECNTKCQ TPLGAINSSL PYQNIHPVTI CC GECPKYVRSA KLRMVTGLRN IP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ADTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCRLKGIAP CC ATOM ADTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCRLKGIAP CC ************************************************** CC SEQRES LQLGKCNIAGWLLGNPECDPLLPVRSWSYIVETPNSENGICYPGDFIDYE CC ATOM LQLGKCNIAGWLLGNPECDPLLPVRSWSYIVETPNSENGICYPGDFIDYE CC ************************************************** CC SEQRES ELREQLSSVSSFERFEIFPKESSWPNHNTNGVTAACSHEGKSSFYRNLLW CC ATOM ELREQLSSVSSFERFEIFPKESSWPNHNTNGVTAACSHEGKSSFYRNLLW CC ************************************************** CC SEQRES LTEKEGSYPKLKNSYVNKKGKEVLVLWGIHHPPNSKEQQNLYQNENAYVS CC ATOM LTEKEGSYPKLKNSYVNKKGKEVLVLWGIHHPPNSKEQQNLYQNENAYVS CC ************************************************** CC SEQRES VVTSNYNRRFTPEIAERPKVRDQAGRMNYYWTLLKPGDTIIFEANGNLIA CC ATOM VVTSNYNRRFTPEIAERPKVRDQAGRMNYYWTLLKPGDTIIFEANGNLIA CC ************************************************** CC SEQRES PMYAFALSRGFGSGIITSNASMHECNTKCQTPLGAINSSLPYQNIHPVTI CC ATOM PMYAFALSRGFGSGIITSNASMHECNTKCQTPLGAINSSLPYQNIHPVTI CC ************************************************** CC SEQRES GECPKYVRSAKLRMVTGLRNIPSIQSR CC ATOM GECPKYVRSAKLRMVTGLRNIP----- CC ********************** SQ SEQUENCE 327 AA; MW; CN; ADTICIGYHA NNSTDTVDTV LEKNVTVTHS VNLLEDSHNG KLCRLKGIAP LQLGKCNIAG WLLGNPECDP LLPVRSWSYI VETPNSENGI CYPGDFIDYE ELREQLSSVS SFERFEIFPK ESSWPNHNTN GVTAACSHEG KSSFYRNLLW LTEKEGSYPK LKNSYVNKKG KEVLVLWGIH HPPNSKEQQN LYQNENAYVS VVTSNYNRRF TPEIAERPKV RDQAGRMNYY WTLLKPGDTI IFEANGNLIA PMYAFALSRG FGSGIITSNA SMHECNTKCQ TPLGAINSSL PYQNIHPVTI GECPKYVRSA KLRMVTGLRN IPSIQSR // ID 5VLIB STANDARD; PRT; 176 AA. DT CONVERTED FROM PDB (SEQRES) 5VLI DE Hemagglutinin OS Influenza A virus (strain A/Puerto Rico/8/1934 H1N1) CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.800 CC R-Factor 0.184 FT #SUB 6 506 ILE B 8 12 TYR A Protein A 6 FT #SUB 7 507 ALA B 8 12 TYR A Protein B 3 FT #SUB 7 507 ALA B 321 324 ILE A Protein A 2 FT #SUB 10 510 ILE B 6 10 ILE A Protein S 2 FT #SUB 10 510 ILE B 8 12 TYR A Protein A 6 FT #SUB 11 511 GLU B 8 12 TYR A Protein B 2 FT #SUB 11 511 GLU B 321 324 ILE A Protein B 1 FT #SUB 12 512 GLY B 8 12 TYR A Protein B 9 FT #SUB 12 512 GLY B 321 324 ILE A Protein B 3 FT #SUB 13 513 GLY B 8 12 TYR A Protein B 7 FT #SUB 13 513 GLY B 10 14 ALA A Protein B 2 FT #SUB 13 513 GLY B 321 324 ILE A Protein B 6 FT #SUB 14 514 TRP B 5 9 CYS A Protein S 3 FT #SUB 14 514 TRP B 6 10 ILE A Protein S 3 FT #SUB 14 514 TRP B 7 11 GLY A Protein S 8 FT #SUB 14 514 TRP B 8 12 TYR A Protein A 3 FT #SUB 14 514 TRP B 9 13 HIS A Protein B 2 FT #SUB 14 514 TRP B 10 14 ALA A Protein B 7 FT #SUB 15 515 THR B 10 14 ALA A Protein A 4 FT #SUB 15 515 THR B 322 325 PRO A Protein S 1 FT #SUB 17 517 MET B 7 11 GLY A Protein S 1 FT #SUB 17 517 MET B 8 12 TYR A Protein S 2 FT #SUB 17 517 MET B 9 13 HIS A Protein A 6 FT #SUB 20 520 GLY B 9 13 HIS A Protein B 3 FT #SUB 21 521 TRP B 8 12 TYR A Protein B 3 FT #SUB 21 521 TRP B 9 13 HIS A Protein B 5 FT #SUB 21 521 TRP B 28 32 THR A Protein S 1 FT #SUB 21 521 TRP B 29 33 HIS A Protein S 2 FT #SUB 21 521 TRP B 316 319 THR A Protein S 3 FT #SUB 21 521 TRP B 317 320 GLY A Protein S 4 FT #SUB 21 521 TRP B 318 321 LEU A Protein A 2 FT #SUB 22 522 TYR B 7 11 GLY A Protein A 3 FT #SUB 22 522 TYR B 318 321 LEU A Protein S 1 FT #SUB 23 523 GLY B 5 9 CYS A Protein B 1 FT #SUB 23 523 GLY B 6 10 ILE A Protein B 2 FT #SUB 23 523 GLY B 7 11 GLY A Protein B 7 FT #SUB 24 524 TYR B 5 9 CYS A Protein A 3 FT #SUB 25 525 HIS B 4 8 ILE A Protein B 3 FT #SUB 25 525 HIS B 5 9 CYS A Protein B 7 FT #SUB 26 526 HIS B 3 7 THR A Protein A 3 FT #SUB 27 527 GLN B 2 6 ASP A Protein B 3 FT #SUB 27 527 GLN B 3 7 THR A Protein A 7 FT #SUB 28 528 ASN B 2 6 ASP A Protein A 7 FT #SUB 29 529 GLU B 2 6 ASP A Protein B 1 FT #SUB 48 548 ILE B 316 319 THR A Protein S 5 FT #SUB 51 551 LYS B 314 317 MET A Protein S 2 FT #SUB 52 552 VAL B 314 317 MET A Protein S 1 FT #SUB 55 555 VAL B 314 317 MET A Protein S 1 FT #SUB 56 556 ILE B 291 294 PRO A Protein S 3 FT #SUB 59 559 MET B 291 294 PRO A Protein B 1 FT #SUB 59 559 MET B 292 295 TYR A Protein S 4 FT #SUB 59 559 MET B 305 308 LYS A Protein S 3 FT #SUB 60 560 ASN B 291 294 PRO A Protein A 8 FT #SUB 60 560 ASN B 304 307 PRO A Protein B 1 FT #SUB 61 561 ILE B 302 305 GLU A Protein S 2 FT #SUB 61 561 ILE B 303 306 CYS A Protein A 8 FT #SUB 62 562 GLN B 297 300 PRO A Protein S 1 FT #SUB 62 562 GLN B 299 302 THR A Protein S 5 FT #SUB 62 562 GLN B 301 304 GLY A Protein B 1 FT #SUB 62 562 GLN B 302 305 GLU A Protein B 2 FT #SUB 62 562 GLN B 303 306 CYS A Protein A 8 FT #SUB 62 562 GLN B 304 307 PRO A Protein S 3 FT #SUB 62 562 GLN B 305 308 LYS A Protein S 3 FT #SUB 62 562 GLN B 306 309 TYR A Protein S 4 FT #SUB 63 563 PHE B 299 302 THR A Protein B 1 FT #SUB 63 563 PHE B 301 304 GLY A Protein A 3 FT #SUB 63 563 PHE B 302 305 GLU A Protein S 2 FT #SUB 64 564 THR B 262 265 GLY A Protein S 8 FT #SUB 64 564 THR B 263 266 SER A Protein S 1 FT #SUB 64 564 THR B 299 302 THR A Protein A 4 FT #SUB 64 564 THR B 300 303 ILE A Protein S 3 FT #SUB 64 564 THR B 301 304 GLY A Protein A 4 FT #SUB 65 565 ALA B 297 300 PRO A Protein B 1 FT #SUB 65 565 ALA B 298 301 VAL A Protein B 4 FT #SUB 65 565 ALA B 299 302 THR A Protein B 7 FT #SUB 66 566 VAL B 265 268 ILE A Protein S 2 FT #SUB 66 566 VAL B 300 303 ILE A Protein S 1 FT #SUB 68 568 LYS B 104 107 GLU A Protein S 7 FT #SUB 69 569 GLU B 100 103 GLU A Protein A 4 FT #SUB 69 569 GLU B 103 106 ARG A Protein S 9 FT #SUB 71 571 ASN B 100 103 GLU A Protein A 4 FT #SUB 86 586 ASP B 308 311 ARG A Protein B 1 FT #SUB 89 589 LEU B 306 309 TYR A Protein S 4 FT #SUB 89 589 LEU B 307 310 VAL A Protein S 1 FT #SUB 89 589 LEU B 308 311 ARG A Protein S 10 FT #SUB 90 590 ASP B 308 311 ARG A Protein A 6 FT #SUB 92 592 TRP B 305 308 LYS A Protein S 5 FT #SUB 93 593 THR B 307 310 VAL A Protein S 3 FT #SUB 93 593 THR B 308 311 ARG A Protein S 4 FT #SUB 93 593 THR B 309 312 SER A Protein S 2 FT #SUB 96 596 ALA B 292 295 TYR A Protein S 4 FT #SUB 96 596 ALA B 312 315 LEU A Protein A 3 FT #SUB 97 597 GLU B 309 312 SER A Protein S 5 FT #SUB 97 597 GLU B 312 315 LEU A Protein A 3 FT #SUB 100 600 VAL B 33 37 LEU A Protein S 1 FT #SUB 100 600 VAL B 313 316 ARG A Protein S 2 FT #SUB 101 601 LEU B 18 22 ASP A Protein S 3 FT #SUB 101 601 LEU B 19 23 THR A Protein A 2 FT #SUB 101 601 LEU B 20 24 VAL A Protein A 2 FT #SUB 104 604 ASN B 17 21 VAL A Protein S 1 FT #SUB 104 604 ASN B 18 22 ASP A Protein S 3 FT #SUB 104 604 ASN B 19 23 THR A Protein A 2 FT #SUB 104 604 ASN B 313 316 ARG A Protein S 3 FT #SUB 104 604 ASN B 314 317 MET A Protein S 3 FT #SUB 104 604 ASN B 315 318 VAL A Protein A 7 FT #SUB 105 605 GLU B 19 23 THR A Protein A 4 FT #SUB 105 605 GLU B 20 24 VAL A Protein S 4 FT #SUB 105 605 GLU B 21 25 LEU A Protein S 3 FT #SUB 107 607 THR B 315 318 VAL A Protein S 4 FT #SUB 107 607 THR B 316 319 THR A Protein S 1 FT #SUB 107 607 THR B 317 320 GLY A Protein S 1 FT #SUB 108 608 LEU B 19 23 THR A Protein S 1 FT #SUB 108 608 LEU B 315 318 VAL A Protein S 1 FT #SUB 108 608 LEU B 317 320 GLY A Protein S 1 FT #SUB 108 608 LEU B 319 322 ARG A Protein S 1 FT #SUB 111 611 HIS B 316 319 THR A Protein S 4 FT #SUB 111 611 HIS B 317 320 GLY A Protein S 5 FT #SUB 111 611 HIS B 318 321 LEU A Protein S 5 FT #SUB 115 615 VAL B 8 12 TYR A Protein S 1 FT #SUB 119 619 TYR B 6 10 ILE A Protein B 1 FT #SUB 122 622 VAL B 6 10 ILE A Protein S 2 FT #SUB 136 636 GLY B 5 9 CYS A Protein B 3 FT #SUB 136 636 GLY B 6 10 ILE A Protein B 4 FT #SUB 137 637 CYS B 4 8 ILE A Protein B 2 FT #SUB 137 637 CYS B 5 9 CYS A Protein A 5 FT #SUB 138 638 PHE B 3 7 THR A Protein B 4 FT #SUB 138 638 PHE B 4 8 ILE A Protein A 8 FT #SUB 138 638 PHE B 6 10 ILE A Protein S 1 FT #SUB 139 639 GLU B 1 5 ALA A Protein S 3 FT #SUB 139 639 GLU B 2 6 ASP A Protein A 3 FT #SUB 140 640 PHE B 1 5 ALA A Protein B 1 FT #SUB 140 640 PHE B 2 6 ASP A Protein A 5 FT #SUB 140 640 PHE B 3 7 THR A Protein S 1 FT #SUB 140 640 PHE B 4 8 ILE A Protein S 3 FT #SUB 143 643 LYS B 2 6 ASP A Protein B 2 FT #SUB 144 644 CYS B 2 6 ASP A Protein B 5 FT #SUB 149 649 MET B 3 7 THR A Protein S 1 FT #SUB 152 652 VAL B 4 8 ILE A Protein S 1 FT #SUB 18 518 ILE B 22 22 PHE C Protein B 2 FT #SUB 19 519 ASP B 22 22 PHE C Protein A 7 FT #SUB 20 520 GLY B 22 22 PHE C Protein B 10 FT #SUB 21 521 TRP B 22 22 PHE C Protein A 5 FT #SUB 42 542 GLN B 2 2 ILE C Protein S 3 FT #SUB 42 542 GLN B 19 19 TRP C Protein S 2 FT #SUB 42 542 GLN B 24 24 TYR C Protein S 5 FT #SUB 45 545 ILE B 18 18 ILE C Protein S 2 FT #SUB 45 545 ILE B 19 19 TRP C Protein S 7 FT #SUB 45 545 ILE B 22 22 PHE C Protein S 1 FT #SUB 46 546 ASN B 4 4 GLN C Protein A 2 FT #SUB 49 549 THR B 4 4 GLN C Protein S 1 FT #SUB 49 549 THR B 6 6 PHE C Protein A 5 FT #SUB 49 549 THR B 15 15 ALA C Protein S 3 FT #SUB 52 552 VAL B 10 10 PHE C Protein S 2 FT #SUB 53 553 ASN B 6 6 PHE C Protein S 4 FT #SUB 53 553 ASN B 7 7 THR C Protein S 6 FT #SUB 53 553 ASN B 8 8 THR C Protein S 5 FT #SUB 53 553 ASN B 11 11 ALA C Protein A 5 FT #SUB 56 556 ILE B 8 8 THR C Protein S 5 FT #SUB 56 556 ILE B 10 10 PHE C Protein S 3 FT #SUB 57 557 GLU B 7 7 THR C Protein S 5 FT #SUB 57 557 GLU B 8 8 THR C Protein B 1 FT #HET 10 510 ILE B 8 704 PEG B S 1 FT #HET 14 514 TRP B 8 704 PEG B S 10 FT #HET 25 525 HIS B 8 704 PEG B S 8 FT #HET 34 534 TYR B 8 704 PEG B S 1 FT #HET 39 539 LYS B 9 705 PEG B S 4 FT #HET 40 540 SER B 9 705 PEG B A 7 FT #HET 42 542 GLN B 10 101 PEG C S 3 FT #HET 43 543 ASN B 9 705 PEG B A 9 FT #HET 44 544 ALA B 9 705 PEG B B 1 FT #HET 110 610 PHE B 9 705 PEG B S 1 FT #HET 114 614 ASN B 9 705 PEG B S 4 FT #HET 135 635 ASN B 8 704 PEG B S 1 FT #HET 137 637 CYS B 8 704 PEG B S 1 FT #HET 147 647 GLU B 3 1 NAG E A 2 FT #HET 147 647 GLU B 4 2 NAG E S 10 FT #HET 150 650 GLU B 3 1 NAG E S 2 FT #HET 156 656 THR B 3 1 NAG E S 4 FT #HET 161 661 LYS B 4 2 NAG E S 1 FT #MOD 154 654 ASN B 3 1 NAG E S FT DISORDER 171 176 CC SEQUENCE 170 AA (ATOM); CC GLFGAIAGFI EGGWTGMIDG WYGYHHQNEQ GSGYAADQKS TQNAINGITN KVNTVIEKMN CC IQFTAVGKEF NKLEKRMENL NKKVDDGFLD IWTYNAELLV LLENERTLDF HDSNVKNLYE CC KVKSQLKNNA KEIGNGCFEF YHKCDNECME SVRNGTYDYP KYSEESKLNR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAINGITN CC ATOM GLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAINGITN CC ************************************************** CC SEQRES KVNTVIEKMNIQFTAVGKEFNKLEKRMENLNKKVDDGFLDIWTYNAELLV CC ATOM KVNTVIEKMNIQFTAVGKEFNKLEKRMENLNKKVDDGFLDIWTYNAELLV CC ************************************************** CC SEQRES LLENERTLDFHDSNVKNLYEKVKSQLKNNAKEIGNGCFEFYHKCDNECME CC ATOM LLENERTLDFHDSNVKNLYEKVKSQLKNNAKEIGNGCFEFYHKCDNECME CC ************************************************** CC SEQRES SVRNGTYDYPKYSEESKLNREKVDGV CC ATOM SVRNGTYDYPKYSEESKLNR------ CC ******************** SQ SEQUENCE 176 AA; MW; CN; GLFGAIAGFI EGGWTGMIDG WYGYHHQNEQ GSGYAADQKS TQNAINGITN KVNTVIEKMN IQFTAVGKEF NKLEKRMENL NKKVDDGFLD IWTYNAELLV LLENERTLDF HDSNVKNLYE KVKSQLKNNA KEIGNGCFEF YHKCDNECME SVRNGTYDYP KYSEESKLNR EKVDGV // ID 5VLIC STANDARD; PRT; 40 AA. DT CONVERTED FROM PDB (SEQRES) 5VLI DE Computationally designed peptide HB1.6928.2.3 OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.800 CC R-Factor 0.184 FT #SUB 10 10 PHE C 31 35 VAL A Protein S 3 FT #SUB 10 10 PHE C 32 36 ASN A Protein S 2 FT #SUB 10 10 PHE C 33 37 LEU A Protein S 2 FT #SUB 10 10 PHE C 289 292 SER A Protein S 4 FT #SUB 10 10 PHE C 290 293 LEU A Protein S 2 FT #SUB 13 13 GLN C 289 292 SER A Protein S 3 FT #SUB 14 14 THR C 31 35 VAL A Protein S 1 FT #SUB 18 18 ILE C 316 319 THR A Protein S 1 FT #SUB 22 22 PHE C 29 33 HIS A Protein S 1 FT #SUB 2 2 ILE C 42 542 GLN B Protein S 3 FT #SUB 4 4 GLN C 46 546 ASN B Protein S 2 FT #SUB 4 4 GLN C 49 549 THR B Protein S 1 FT #SUB 6 6 PHE C 49 549 THR B Protein S 5 FT #SUB 6 6 PHE C 53 553 ASN B Protein A 4 FT #SUB 7 7 THR C 53 553 ASN B Protein A 6 FT #SUB 7 7 THR C 57 557 GLU B Protein S 5 FT #SUB 8 8 THR C 53 553 ASN B Protein A 5 FT #SUB 8 8 THR C 56 556 ILE B Protein S 5 FT #SUB 8 8 THR C 57 557 GLU B Protein S 1 FT #SUB 10 10 PHE C 52 552 VAL B Protein S 2 FT #SUB 10 10 PHE C 56 556 ILE B Protein S 3 FT #SUB 11 11 ALA C 53 553 ASN B Protein S 5 FT #SUB 15 15 ALA C 49 549 THR B Protein A 3 FT #SUB 18 18 ILE C 45 545 ILE B Protein S 2 FT #SUB 19 19 TRP C 42 542 GLN B Protein S 2 FT #SUB 19 19 TRP C 45 545 ILE B Protein S 7 FT #SUB 22 22 PHE C 18 518 ILE B Protein A 2 FT #SUB 22 22 PHE C 19 519 ASP B Protein A 7 FT #SUB 22 22 PHE C 20 520 GLY B Protein S 10 FT #SUB 22 22 PHE C 21 521 TRP B Protein S 5 FT #SUB 22 22 PHE C 45 545 ILE B Protein S 1 FT #SUB 24 24 TYR C 42 542 GLN B Protein S 5 FT #HET 1 1 CYS C 10 101 PEG C B 12 FT #HET 2 2 ILE C 10 101 PEG C A 7 FT #HET 24 24 TYR C 10 101 PEG C S 1 FT #HET 39 39 VAL C 10 101 PEG C B 1 FT #HET 40 40 CYS C 10 101 PEG C B 4 FT DISORDER 32 32 CC SEQUENCE 39 AA (ATOM); CC CIEQSFTTLF ACQTAAEIWR AFGYTVKIMV DGNCRLHVC CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES CIEQSFTTLFACQTAAEIWRAFGYTVKIMVDNGNCRLHVC CC ATOM CIEQSFTTLFACQTAAEIWRAFGYTVKIMVD-GNCRLHVC CC ******************************* ******** SQ SEQUENCE 40 AA; MW; CN; CIEQSFTTLF ACQTAAEIWR AFGYTVKIMV DNGNCRLHVC //