1die A 2.5 BS03 NOJ A 1 H53 W136 E180 D292 H52 W135 E179 D291 H53 D56 M87 E180 K182 E216 H219 D244 D254 D256 D292 H52 D55 M86 E179 K181 E215 H218 D243 D253 D255 D291 5.3.1.5 0000287,0005737,0005975,0009045,0016853,0042732,0046872 P12070 2304904 400 VQPTPADHFTFGLWTVGWTGADPFGVATRKNLDPVEAVHKLAELGAYGITFHDNDLIPFDATEAEREKILGDFNQALKDTGLKVPMVTTNLFSHPVFKDGGFTSNDRSIRRFALAKVLHNIDLAAEMGAETFVMWGGREGSEYDGSKDLAAALDRMREGVDTAAGYIKDKGYNLRIALEPKPNEPRGDIFLPTVGHGLAFIEQLEHGDIVGLNPETGHEQMAGLNFTHGIAQALWAEKLFHIDLNGQRGIKYDQDLVFGHGDLTSAFFTVDLLENGFPNGGPKYTGPRHFDYKPSRTDGYDGVWDSAKANMSMYLLLKERALAFRADPEVQEAMKTSGVFELGETTLNAGESAADLMNDSASFAGFDAEAAAERNFAFIRLNQLAIEHLLGSR 1die B 2.5 BS03 NOJ B 1 H53 W136 E180 H219 D292 H52 W135 E179 H218 D291 H53 D56 M87 E180 K182 E216 H219 D244 D254 D256 D292 H52 D55 M86 E179 K181 E215 H218 D243 D253 D255 D291 5.3.1.5 0000287,0005737,0005975,0009045,0016853,0042732,0046872 P12070 2304904 400 VQPTPADHFTFGLWTVGWTGADPFGVATRKNLDPVEAVHKLAELGAYGITFHDNDLIPFDATEAEREKILGDFNQALKDTGLKVPMVTTNLFSHPVFKDGGFTSNDRSIRRFALAKVLHNIDLAAEMGAETFVMWGGREGSEYDGSKDLAAALDRMREGVDTAAGYIKDKGYNLRIALEPKPNEPRGDIFLPTVGHGLAFIEQLEHGDIVGLNPETGHEQMAGLNFTHGIAQALWAEKLFHIDLNGQRGIKYDQDLVFGHGDLTSAFFTVDLLENGFPNGGPKYTGPRHFDYKPSRTDGYDGVWDSAKANMSMYLLLKERALAFRADPEVQEAMKTSGVFELGETTLNAGESAADLMNDSASFAGFDAEAAAERNFAFIRLNQLAIEHLLGSR 1dog A 2.3 BS11 NOJ A 1 Y48 W52 R54 D55 L177 W178 Y48 W52 R54 D55 L176 W177 W120 D176 E179 E180 E400 W119 D175 E178 E179 E399 3.2.1.3 0004339,0005975,0005976 Ki=96uM P69327 8431441 495 ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDSGLVIKTLVDLFRNGDTDLLSTIEHYISSQAIIQGVSNPSGDLSSGGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSAATEIVWPLVRNDLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQAPQILCYLQSFWTGSYILANFDSSRSGKDTNTLLGSIHTFDPEAGCDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGRYPEDSYYNGNPWFLCTLAAAEQLYDALYQWDKQGSLEITDVSLDFFKALYSGAATGTYSSSSSTYSSIVSAVKTFADGFVSIVETHAASNGSLSEQFDKSDGDELSARDLTWSYAALLTANNRRNSVVPPSWGETSASSVPGTCAATSASGTYSSVTVTSWPSIVA 1dog A 2.3 BS12 NOJ A 2 W178 E179 E180 R305 Y311 W177 E178 E179 R304 Y310 W120 D176 E179 E180 E400 W119 D175 E178 E179 E399 3.2.1.3 0004339,0005975,0005976 Ki=96uM P69327 8431441 496 ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDSGLVIKTLVDLFRNGDTDLLSTIEHYISSQAIIQGVSNPSGDLSSGGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSAATEIVWPLVRNDLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQAPQILCYLQSFWTGSYILANFDSSRSGKDTNTLLGSIHTFDPEAGCDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGRYPEDSYYNGNPWFLCTLAAAEQLYDALYQWDKQGSLEITDVSLDFFKALYSGAATGTYSSSSSTYSSIVSAVKTFADGFVSIVETHAASNGSLSEQFDKSDGDELSARDLTWSYAALLTANNRRNSVVPPSWGETSASSVPGTCAATSASGTYSSVTVTSWPSIVA 1i75 A 2.0 BS03 NOJ A 1 Y100 L194 D229 Y100 L194 D229 D135 R227 D229 E257 H327 D328 D135 R227 D229 E257 H327 D328 2.4.1.19 0003824,0004556,0005576,0005975,0016757,0030246,0043169,0043895,0046872,2001070 P05618 11275559 2691 APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGSCTNLRLYCGGDWQGIINKINDGYLTGMGITAIWISQPVENIYSVINYSGVNNTAYHGYWARDFKKTNPAYGTMQDFKNLIDTAHAHNIKVIIDFAPNHTSPASSDDPSFAENGRLYDNGNLLGGYTNDTQNLFHHYGGTDFSTIENGIYKNLYDLADLNHNNSSVDVYLKDAIKMWLDLGVDGIRVDAVKHMPFGWQKSFMATINNYKPVFTFGEWFLGVNEISPEYHQFANESGMSLLDFRFAQKARQVFRDNTDNMYGLKAMLEGSEVDYAQVNDQVTFIDNHDMERFHTSNGDRRKLEQALAFTLTSRGVPAIYYGSEQYMSGGNDPDNRARLPSFSTTTTAYQVIQKLAPLRKSNPAIAYGSTHERWINNDVIIYERKFGNNVAVVAINRNMNTPASITGLVTSLPRGSYNDVLGGILNGNTLTVGAGGAASNFTLAPGGTAVWQYTTDATTPIIGNVGPMMAKPGVTITIDGRGFGSGKGTVYFGTTAVTGADIVAWEDTQIQVKIPAVPGGIYDIRVANAAGAASNIYDNFEVLTGDQVTVRFVINNATTALGQNVFLTGNVSELGNWDPNNAIGPMYNQVVYQYPTWYYDVSVPAGQTIEFKFLKKQGSTVTWEGGANRTFTTPTSGTATVNVNWQP 1i75 A 2.0 BS04 NOJ A 2 K651 W662 K651 W662 D135 R227 D229 E257 H327 D328 D135 R227 D229 E257 H327 D328 2.4.1.19 0003824,0004556,0005576,0005975,0016757,0030246,0043169,0043895,0046872,2001070 P05618 11275559 2692 APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGSCTNLRLYCGGDWQGIINKINDGYLTGMGITAIWISQPVENIYSVINYSGVNNTAYHGYWARDFKKTNPAYGTMQDFKNLIDTAHAHNIKVIIDFAPNHTSPASSDDPSFAENGRLYDNGNLLGGYTNDTQNLFHHYGGTDFSTIENGIYKNLYDLADLNHNNSSVDVYLKDAIKMWLDLGVDGIRVDAVKHMPFGWQKSFMATINNYKPVFTFGEWFLGVNEISPEYHQFANESGMSLLDFRFAQKARQVFRDNTDNMYGLKAMLEGSEVDYAQVNDQVTFIDNHDMERFHTSNGDRRKLEQALAFTLTSRGVPAIYYGSEQYMSGGNDPDNRARLPSFSTTTTAYQVIQKLAPLRKSNPAIAYGSTHERWINNDVIIYERKFGNNVAVVAINRNMNTPASITGLVTSLPRGSYNDVLGGILNGNTLTVGAGGAASNFTLAPGGTAVWQYTTDATTPIIGNVGPMMAKPGVTITIDGRGFGSGKGTVYFGTTAVTGADIVAWEDTQIQVKIPAVPGGIYDIRVANAAGAASNIYDNFEVLTGDQVTVRFVINNATTALGQNVFLTGNVSELGNWDPNNAIGPMYNQVVYQYPTWYYDVSVPAGQTIEFKFLKKQGSTVTWEGGANRTFTTPTSGTATVNVNWQP 1i75 B 2.0 BS03 NOJ B 1 Y100 D229 D328 Y100 D229 D328 D135 R227 D229 E257 H327 D328 D135 R227 D229 E257 H327 D328 2.4.1.19 0003824,0004556,0005576,0005975,0016757,0030246,0043169,0043895,0046872,2001070 P05618 11275559 2693 APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGSCTNLRLYCGGDWQGIINKINDGYLTGMGITAIWISQPVENIYSVINYSGVNNTAYHGYWARDFKKTNPAYGTMQDFKNLIDTAHAHNIKVIIDFAPNHTSPASSDDPSFAENGRLYDNGNLLGGYTNDTQNLFHHYGGTDFSTIENGIYKNLYDLADLNHNNSSVDVYLKDAIKMWLDLGVDGIRVDAVKHMPFGWQKSFMATINNYKPVFTFGEWFLGVNEISPEYHQFANESGMSLLDFRFAQKARQVFRDNTDNMYGLKAMLEGSEVDYAQVNDQVTFIDNHDMERFHTSNGDRRKLEQALAFTLTSRGVPAIYYGSEQYMSGGNDPDNRARLPSFSTTTTAYQVIQKLAPLRKSNPAIAYGSTHERWINNDVIIYERKFGNNVAVVAINRNMNTPASITGLVTSLPRGSYNDVLGGILNGNTLTVGAGGAASNFTLAPGGTAVWQYTTDATTPIIGNVGPMMAKPGVTITIDGRGFGSGKGTVYFGTTAVTGADIVAWEDTQIQVKIPAVPGGIYDIRVANAAGAASNIYDNFEVLTGDQVTVRFVINNATTALGQNVFLTGNVSELGNWDPNNAIGPMYNQVVYQYPTWYYDVSVPAGQTIEFKFLKKQGSTVTWEGGANRTFTTPTSGTATVNVNWQP 1i75 B 2.0 BS04 NOJ B 2 W616 N667 W616 N667 D135 R227 D229 E257 H327 D328 D135 R227 D229 E257 H327 D328 2.4.1.19 0003824,0004556,0005576,0005975,0016757,0030246,0043169,0043895,0046872,2001070 P05618 11275559 2694 APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGSCTNLRLYCGGDWQGIINKINDGYLTGMGITAIWISQPVENIYSVINYSGVNNTAYHGYWARDFKKTNPAYGTMQDFKNLIDTAHAHNIKVIIDFAPNHTSPASSDDPSFAENGRLYDNGNLLGGYTNDTQNLFHHYGGTDFSTIENGIYKNLYDLADLNHNNSSVDVYLKDAIKMWLDLGVDGIRVDAVKHMPFGWQKSFMATINNYKPVFTFGEWFLGVNEISPEYHQFANESGMSLLDFRFAQKARQVFRDNTDNMYGLKAMLEGSEVDYAQVNDQVTFIDNHDMERFHTSNGDRRKLEQALAFTLTSRGVPAIYYGSEQYMSGGNDPDNRARLPSFSTTTTAYQVIQKLAPLRKSNPAIAYGSTHERWINNDVIIYERKFGNNVAVVAINRNMNTPASITGLVTSLPRGSYNDVLGGILNGNTLTVGAGGAASNFTLAPGGTAVWQYTTDATTPIIGNVGPMMAKPGVTITIDGRGFGSGKGTVYFGTTAVTGADIVAWEDTQIQVKIPAVPGGIYDIRVANAAGAASNIYDNFEVLTGDQVTVRFVINNATTALGQNVFLTGNVSELGNWDPNNAIGPMYNQVVYQYPTWYYDVSVPAGQTIEFKFLKKQGSTVTWEGGANRTFTTPTSGTATVNVNWQP 1oim A 2.15 BS01 NOJ A 1 Q20 H121 N165 E166 Y295 E351 W398 E405 W406 Q18 H119 N163 E164 Y292 E348 W395 E402 W403 R77 H121 E166 V169 N293 Y295 E351 R75 H119 E164 V167 N290 Y292 E348 3.2.1.21 0004553,0005975,0008422,0016798,0030245,0102483 Ka=210000M^-1 -logKd/Ki=5.32, Kd=4.8uM Q08638 14624580 1447 VKKFPEGFLWGVATASYQIEGSPLADGAGMSIWHTFSHTPGNVKNGDTGDVACDHYNRWKEDIEIIEKLGVKAYRFSISWPRILPEGTGRVNQKGLDFYNRIIDTLLEKGITPFVTIYHWDLPFALQLKGGWANREIADWFAEYSRVLFENFGDRVKNWITLNEPWVVAIVGHLYGVHAPGMRDIYVAFRAVHNLLRAHARAVKVFRETVKDGKIGIVFNNGYFEPASEKEDIRAVRFMHQFNNYPLFLNPIYRGDYPELVLEFAREYLPENYKDDMSEIQEKIDFVGLNYYSGHLVKFDPDAPAKVSFVERDLPKTAMGWEIVPEGIYWILKKVKEEYNPPEVYITENGAAFDDVVSEDGRVHDQNRIDYLKAHIGQAWKAIQEGVPLKGYFVWSLLDNFEWAEGYSKRFGIVYVDYSTQKRIVKDSGYWYSNVVKNNGLED 1oim B 2.15 BS01 NOJ B 1 Q20 H121 N165 E166 Y295 W324 E351 W398 E405 Q20 H121 N165 E166 Y294 W322 E349 W396 E403 R77 H121 E166 V169 N293 Y295 E351 R77 H121 E166 V169 N292 Y294 E349 3.2.1.21 0004553,0005975,0008422,0016798,0030245,0102483 Ka=210000M^-1 Q08638 14624580 1447 SNVKKFPEGFLWGVATASYQIEGSPLADGAGMSIWHTFSHTPGNVKNGDTGDVACDHYNRWKEDIEIIEKLGVKAYRFSISWPRILPEGTGRVNQKGLDFYNRIIDTLLEKGITPFVTIYHWDLPFALQLKGGWANREIADWFAEYSRVLFENFGDRVKNWITLNEPWVVAIVGHLYGVHAPGMRDIYVAFRAVHNLLRAHARAVKVFRETVDGKIGIVFNNGYFEPASEKEEDIRAVRFMHQFNNYPLFLNPIYRGDYPELVLEFAREYLPENYKDDMSEIQEKIDFVGLNYYSGHLVKFDPDAAKVSFVERDLPKTAMGWEIVPEGIYWILKKVKEEYNPPEVYITENGAAFDDVVSEDGRVHDQNRIDYLKAHIGQAWKAIQEGVPLKGYFVWSLLDNFEWAEGYSKRFGIVYVDYSTQKRIVKDSGYWYSNVVKNNGLED 2j77 A 2.1 BS01 NOJ A 1 Q20 H121 N165 E166 Y295 E351 W398 E405 W406 Q18 H119 N163 E164 Y289 E342 W389 E396 W397 R77 H121 E166 V169 N293 Y295 E351 R75 H119 E164 V167 N287 Y289 E342 3.2.1.21 0004553,0005975,0008422,0016798,0030245,0102483 Kd=12.9uM -logKd/Ki=4.89, Kd=12.9uM Q08638 17279749 1446 VKKFPEGFLWGVATASYQIEGSPLADGAGMSIWHTFSHTPGNVKNGDTGDVACDHYNRWKEDIEIIEKLGVKAYRFSISWPRILPEGTGRVNQKGLDFYNRIIDTLLEKGITPFVTIYHWDLPFALQLKGGWANREIADWFAEYSRVLFENFGDRVKNWITLNEPWVVAIVGHLYGVHAPGMRDIYVAFRAVHNLLRAHARAVKVFRETVKDGKIGIVFNNGYFEPASEIRAVRFMHQFNNYPLFLNPIYRGDYPELVLEFAREYLPENYKDDMSEIQEKIDFVGLNYYSGHLVKFDPAKVSFVERDLPKTAMGWEIVPEGIYWILKKVKEEYNPPEVYITENGAAFDDVVSEDGRVHDQNRIDYLKAHIGQAWKAIQEGVPLKGYFVWSLLDNFEWAEGYSKRFGIVYVDYSTQKRIVKDSGYWYSNVVKNNGLE 2j77 B 2.1 BS01 NOJ B 1 Q20 H121 N165 E166 Y295 E351 W398 E405 W406 Q18 H119 N163 E164 Y293 E348 W395 E402 W403 R77 H121 E166 V169 N293 Y295 E351 R75 H119 E164 V167 N291 Y293 E348 3.2.1.21 0004553,0005975,0008422,0016798,0030245,0102483 Kd=12.9uM Q08638 17279749 1446 VKKFPEGFLWGVATASYQIEGSPLADGAGMSIWHTFSHTPGNVKNGDTGDVACDHYNRWKEDIEIIEKLGVKAYRFSISWPRILPEGTGRVNQKGLDFYNRIIDTLLEKGITPFVTIYHWDLPFALQLKGGWANREIADWFAEYSRVLFENFGDRVKNWITLNEPWVVAIVGHLYGVHAPGMRDIYVAFRAVHNLLRAHARAVKVFRETVKDGKIGIVFNNGYFEPASEKEEDIRAVRFMHQFNNYPLFLNPIYRGDYPELVLEFAREYLPENYKDDMSEIQEKIDFVGLNYYSGHLVKFDPDAAKVSFVERDLPKTAMGWEIVPEGIYWILKKVKEEYNPPEVYITENGAAFDDVVSEDGRVHDQNRIDYLKAHIGQAWKAIQEGVPLKGYFVWSLLDNFEWAEGYSKRFGIVYVDYSTQKRIVKDSGYWYSNVVKNNGLE 2jke A 1.7 BS01 NOJ A 1 W331 E391 W397 H437 E439 K467 V471 H507 E508 E526 E532 W292 E352 W358 H398 E400 K428 V432 H468 E469 E487 E493 3.2.1.3 0000272,0004339,0004558,0005509,0005886,0005983,0016798,0030246,0042597,0046872 Ki=59uM -logKd/Ki=4.23, Ki=59uM G8JZS4 18848471 1727 QQKLTSPDNNLVMTFQVDSKGAPTYELTYKNKVVIKPSTLGLELKKEDSKTNLYDGFEVKDTQTATFDETWQPVWGEEKEIRNHYNELAVTLYQPMNDRSIVIRFRLFNDGLGFRYEFPQQKSLNYFVIKEEHSQFGMNGDHIAFWIPGDYDTQEYDYTISRLSEIRGLMKEAITPNSSQTPFSQTGVQTALMMKTDDGLYINLHEAALVDYSCMHLNLDDKNMVFESWLTPDAKGDKGYMQTPCNTPWRTIIVSDDARNILASRITLNLNEPCKIADAASWVKPVKYIGVWWDMITGKGSWAYTDELTSVKLGETDYSKTKPNGKHSANTANVKRYIDFAAAHGFDAVLVEGWNEGWEDWFGNSKDYVFDFVTPYPDFDVKEIHRYAARKGIKMMMHHETSASVRNYERHMDKAYQFMADNGYNSVKSGYVGNIIPRGEHHYGQWMNNHYLYAVKKAADYKIMVNAHEATRPTGICRTYPNLIGNESARGTEYESFGGNKVYHTTILPFTRLVGGPMDYTPGIFETHCNKMNPANNSQVRSTIARQLALYVTMYSPLQMAADIPENYERFMDAFQFIKDVALDWDETNYLEAEPGEYITIARKAKDTDDWYVGCTAGENGHTSKLVFDFLTPGKQYIATVYADAKDADWKENPQAYTIKKGILTNKSKLNLHAANGGGYAISIKEV 2jke B 1.7 BS01 NOJ B 1 W331 E391 W397 H437 E439 K467 V471 H507 E508 E526 E532 W292 E352 W358 H398 E400 K428 V432 H468 E469 E487 E493 3.2.1.3 0000272,0004339,0004558,0005509,0005886,0005983,0016798,0030246,0042597,0046872 Ki=59uM G8JZS4 18848471 1727 QQKLTSPDNNLVMTFQVDSKGAPTYELTYKNKVVIKPSTLGLELKKEDSKTNLYDGFEVKDTQTATFDETWQPVWGEEKEIRNHYNELAVTLYQPMNDRSIVIRFRLFNDGLGFRYEFPQQKSLNYFVIKEEHSQFGMNGDHIAFWIPGDYDTQEYDYTISRLSEIRGLMKEAITPNSSQTPFSQTGVQTALMMKTDDGLYINLHEAALVDYSCMHLNLDDKNMVFESWLTPDAKGDKGYMQTPCNTPWRTIIVSDDARNILASRITLNLNEPCKIADAASWVKPVKYIGVWWDMITGKGSWAYTDELTSVKLGETDYSKTKPNGKHSANTANVKRYIDFAAAHGFDAVLVEGWNEGWEDWFGNSKDYVFDFVTPYPDFDVKEIHRYAARKGIKMMMHHETSASVRNYERHMDKAYQFMADNGYNSVKSGYVGNIIPRGEHHYGQWMNNHYLYAVKKAADYKIMVNAHEATRPTGICRTYPNLIGNESARGTEYESFGGNKVYHTTILPFTRLVGGPMDYTPGIFETHCNKMNPANNSQVRSTIARQLALYVTMYSPLQMAADIPENYERFMDAFQFIKDVALDWDETNYLEAEPGEYITIARKAKDTDDWYVGCTAGENGHTSKLVFDFLTPGKQYIATVYADAKDADWKENPQAYTIKKGILTNKSKLNLHAANGGGYAISIKEV 2pwd A 1.8 BS02 NOJ A 1 D61 Y64 H104 F164 D200 E254 H326 D327 R414 D61 Y64 H104 F164 D200 E254 H326 D327 R414 D99 R198 D200 E254 H326 D327 D99 R198 D200 E254 H326 D327 5.4.99.11 0004556,0005975,0009313,0016853,0046872 Ki=40uM -logKd/Ki=4.40, Ki=40uM Q2PS28 17597061 8000 KPGAPWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWINPHYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVVINHSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWEKDPVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFDTVATYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVTAGEIFGAPLNQVPLFIDSRRKELDMAFTFDLIRYDRALDRWHTIPRTLADFRQTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALATVTLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKATAEELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAAREIGDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGETYLVVVNFKAEPRSFTLPDGMHIAETLIESSSPAAPAAGAASLELQPWQSGIYKVK 2pwd B 1.8 BS02 NOJ B 1 D61 Y64 H104 F164 D200 E254 H326 D327 R414 D61 Y64 H104 F164 D200 E254 H326 D327 R414 D99 R198 D200 E254 H326 D327 D99 R198 D200 E254 H326 D327 5.4.99.11 0004556,0005975,0009313,0016853,0046872 Ki=40uM Q2PS28 17597061 8001 KPGAPWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWINPHYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVVINHSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWEKDPVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFDTVATYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVTAGEIFGAPLNQVPLFIDSRRKELDMAFTFDLIRYDRALDRWHTIPRTLADFRQTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALATVTLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKATAEELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAAREIGDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGETYLVVVNFKAEPRSFTLPDGMHIAETLIESSSPAAPAAGAASLELQPWQSGIYKVK 2x2j A 2.35 BS01 NOJ A 1 F373 D412 N459 Y513 W551 D553 M554 R649 W662 D665 F698 H731 F360 D399 N446 Y500 W538 D540 M541 R636 W649 D652 F685 H718 4.2.2.13 0003824,0004553,0005975,0016798,0016829,0030246,0047457 Q9STC1 23902768 1050 TDNPDGIDYKTYDYVGVWGFSPLSNTNWFAAGSSTPGGITDWTATMNVNFDRIDNPSITVQHPVQVQVTSYNNNSYRVRFNPDGPIRDVTRGPILKQQLDWIRTQELSEGCDPGMTFTSEGFLTFETKDLSVIIYGNFKTRVTRKSDGKVIMENDEVGTASSGNKCRGLMFVDRLYGNAIASVNKNFRNDAVKQEGFYGAGEVNCKYQDTYILERTGIAMTNYNYDNLNYNQWDLRPPHHDGALNPDYYIPMYYAAPWLIVNGCAGTSEQYSYGWFMDNVSQSYMNTGDTTWNSGQEDLAYMGAQYGPFDQHFVYGAGGGMECVVTAFSLLQGKEFENQVLNKRSVMPPKYVFGFFQGVFGTSSLLRAHMPAGENNISVEEIVEGYQNNNFPFEGLAVDVDMQDNLRVFTTKGEFWTANRVGTGGDPNNRSVFEWAHDKGLVCQTNITCFLRNDNEGQDYEVNQTLRERQLYTKNDSLTGTDFGMTDDGPSDAYIGHLDYGGGVECDALFPDWGRPDVAEWWGNNYKKLFSIGLDFVWQDMTVPAMMPHKIGDDINVKPDGNWPNADDPSNGQYNWKTYHPQVLVTDMRYENHGREPMVTQRNIHAYTLCESTRKEGIVENADTLTKFRRSYIISRGGYIGNQHFGGMWVGDNSTTSNYIQMMIANNINMNMSCLPLVGSDIGGFTSYDNENQRTPCTGDLMVRYVQAGCLLPWFRNHYDRWIESKDHGKDYQELYMYPNEMDTLRKFVEFRYRWQEVLYTAMYQNAAFGKPIIKAASMYNNDSNVRRAQNDHFLLGGHDGYRILCAPVVWENSTERELYLPVLTQWYKFGPDFDTKPLEGAMNGGDRIYNYPVPQSESPIFVREGAILPTRYTLNGENKSLNTYTDEDPLVFEVFPLGNNRADGMCYLDDGGVTTNAEDNGKFSVVKVAAEQDGGTETITFTNDCYEYVFGGPFYVRVRGAQSPSNIHVSSGAGSQDMKVSSATSRAALFNDGENGDFWVDQETDSLWLKLPNVVLPDAVITIT 2x2j B 2.35 BS01 NOJ B 1 F373 D412 Y513 D553 R649 D665 F698 H731 F360 D399 Y500 D540 R636 D652 F685 H718 4.2.2.13 0003824,0004553,0005975,0016798,0016829,0030246,0047457 Q9STC1 23902768 1050 TDNPDGIDYKTYDYVGVWGFSPLSNTNWFAAGSSTPGGITDWTATMNVNFDRIDNPSITVQHPVQVQVTSYNNNSYRVRFNPDGPIRDVTRGPILKQQLDWIRTQELSEGCDPGMTFTSEGFLTFETKDLSVIIYGNFKTRVTRKSDGKVIMENDEVGTASSGNKCRGLMFVDRLYGNAIASVNKNFRNDAVKQEGFYGAGEVNCKYQDTYILERTGIAMTNYNYDNLNYNQWDLRPPHHDGALNPDYYIPMYYAAPWLIVNGCAGTSEQYSYGWFMDNVSQSYMNTGDTTWNSGQEDLAYMGAQYGPFDQHFVYGAGGGMECVVTAFSLLQGKEFENQVLNKRSVMPPKYVFGFFQGVFGTSSLLRAHMPAGENNISVEEIVEGYQNNNFPFEGLAVDVDMQDNLRVFTTKGEFWTANRVGTGGDPNNRSVFEWAHDKGLVCQTNITCFLRNDNEGQDYEVNQTLRERQLYTKNDSLTGTDFGMTDDGPSDAYIGHLDYGGGVECDALFPDWGRPDVAEWWGNNYKKLFSIGLDFVWQDMTVPAMMPHKIGDDINVKPDGNWPNADDPSNGQYNWKTYHPQVLVTDMRYENHGREPMVTQRNIHAYTLCESTRKEGIVENADTLTKFRRSYIISRGGYIGNQHFGGMWVGDNSTTSNYIQMMIANNINMNMSCLPLVGSDIGGFTSYDNENQRTPCTGDLMVRYVQAGCLLPWFRNHYDRWIESKDHGKDYQELYMYPNEMDTLRKFVEFRYRWQEVLYTAMYQNAAFGKPIIKAASMYNNDSNVRRAQNDHFLLGGHDGYRILCAPVVWENSTERELYLPVLTQWYKFGPDFDTKPLEGAMNGGDRIYNYPVPQSESPIFVREGAILPTRYTLNGENKSLNTYTDEDPLVFEVFPLGNNRADGMCYLDDGGVTTNAEDNGKFSVVKVAAEQDGGTETITFTNDCYEYVFGGPFYVRVRGAQSPSNIHVSSGAGSQDMKVSSATSRAALFNDGENGDFWVDQETDSLWLKLPNVVLPDAVITIT 2x2j C 2.35 BS01 NOJ C 1 F373 D412 N459 Y513 D553 M554 R649 W662 D665 F698 H731 F360 D399 N446 Y500 D540 M541 R636 W649 D652 F685 H718 4.2.2.13 0003824,0004553,0005975,0016798,0016829,0030246,0047457 Q9STC1 23902768 1050 TDNPDGIDYKTYDYVGVWGFSPLSNTNWFAAGSSTPGGITDWTATMNVNFDRIDNPSITVQHPVQVQVTSYNNNSYRVRFNPDGPIRDVTRGPILKQQLDWIRTQELSEGCDPGMTFTSEGFLTFETKDLSVIIYGNFKTRVTRKSDGKVIMENDEVGTASSGNKCRGLMFVDRLYGNAIASVNKNFRNDAVKQEGFYGAGEVNCKYQDTYILERTGIAMTNYNYDNLNYNQWDLRPPHHDGALNPDYYIPMYYAAPWLIVNGCAGTSEQYSYGWFMDNVSQSYMNTGDTTWNSGQEDLAYMGAQYGPFDQHFVYGAGGGMECVVTAFSLLQGKEFENQVLNKRSVMPPKYVFGFFQGVFGTSSLLRAHMPAGENNISVEEIVEGYQNNNFPFEGLAVDVDMQDNLRVFTTKGEFWTANRVGTGGDPNNRSVFEWAHDKGLVCQTNITCFLRNDNEGQDYEVNQTLRERQLYTKNDSLTGTDFGMTDDGPSDAYIGHLDYGGGVECDALFPDWGRPDVAEWWGNNYKKLFSIGLDFVWQDMTVPAMMPHKIGDDINVKPDGNWPNADDPSNGQYNWKTYHPQVLVTDMRYENHGREPMVTQRNIHAYTLCESTRKEGIVENADTLTKFRRSYIISRGGYIGNQHFGGMWVGDNSTTSNYIQMMIANNINMNMSCLPLVGSDIGGFTSYDNENQRTPCTGDLMVRYVQAGCLLPWFRNHYDRWIESKDHGKDYQELYMYPNEMDTLRKFVEFRYRWQEVLYTAMYQNAAFGKPIIKAASMYNNDSNVRRAQNDHFLLGGHDGYRILCAPVVWENSTERELYLPVLTQWYKFGPDFDTKPLEGAMNGGDRIYNYPVPQSESPIFVREGAILPTRYTLNGENKSLNTYTDEDPLVFEVFPLGNNRADGMCYLDDGGVTTNAEDNGKFSVVKVAAEQDGGTETITFTNDCYEYVFGGPFYVRVRGAQSPSNIHVSSGAGSQDMKVSSATSRAALFNDGENGDFWVDQETDSLWLKLPNVVLPDAVITIT 2x2j D 2.35 BS01 NOJ D 1 F373 D412 Y513 D553 R649 D665 F698 H731 F360 D399 Y500 D540 R636 D652 F685 H718 4.2.2.13 0003824,0004553,0005975,0016798,0016829,0030246,0047457 Q9STC1 23902768 1050 TDNPDGIDYKTYDYVGVWGFSPLSNTNWFAAGSSTPGGITDWTATMNVNFDRIDNPSITVQHPVQVQVTSYNNNSYRVRFNPDGPIRDVTRGPILKQQLDWIRTQELSEGCDPGMTFTSEGFLTFETKDLSVIIYGNFKTRVTRKSDGKVIMENDEVGTASSGNKCRGLMFVDRLYGNAIASVNKNFRNDAVKQEGFYGAGEVNCKYQDTYILERTGIAMTNYNYDNLNYNQWDLRPPHHDGALNPDYYIPMYYAAPWLIVNGCAGTSEQYSYGWFMDNVSQSYMNTGDTTWNSGQEDLAYMGAQYGPFDQHFVYGAGGGMECVVTAFSLLQGKEFENQVLNKRSVMPPKYVFGFFQGVFGTSSLLRAHMPAGENNISVEEIVEGYQNNNFPFEGLAVDVDMQDNLRVFTTKGEFWTANRVGTGGDPNNRSVFEWAHDKGLVCQTNITCFLRNDNEGQDYEVNQTLRERQLYTKNDSLTGTDFGMTDDGPSDAYIGHLDYGGGVECDALFPDWGRPDVAEWWGNNYKKLFSIGLDFVWQDMTVPAMMPHKIGDDINVKPDGNWPNADDPSNGQYNWKTYHPQVLVTDMRYENHGREPMVTQRNIHAYTLCESTRKEGIVENADTLTKFRRSYIISRGGYIGNQHFGGMWVGDNSTTSNYIQMMIANNINMNMSCLPLVGSDIGGFTSYDNENQRTPCTGDLMVRYVQAGCLLPWFRNHYDRWIESKDHGKDYQELYMYPNEMDTLRKFVEFRYRWQEVLYTAMYQNAAFGKPIIKAASMYNNDSNVRRAQNDHFLLGGHDGYRILCAPVVWENSTERELYLPVLTQWYKFGPDFDTKPLEGAMNGGDRIYNYPVPQSESPIFVREGAILPTRYTLNGENKSLNTYTDEDPLVFEVFPLGNNRADGMCYLDDGGVTTNAEDNGKFSVVKVAAEQDGGTETITFTNDCYEYVFGGPFYVRVRGAQSPSNIHVSSGAGSQDMKVSSATSRAALFNDGENGDFWVDQETDSLWLKLPNVVLPDAVITIT 2xg9 A 1.8 BS01 NOJ A 1 E184 E378 A380 E182 E376 A378 D99 E184 T340 E378 L381 D97 E182 T338 E376 L379 3.2.1.2 0000272,0016161,0016798,0042802,0102229 -logKd/Ki=4.15, Ki=70uM P16098 21085740 1490 VNVKGNYVQVYVMLPLDAVSVNNRFEKGDELRAQLRKLVEAGVDGVMVDVWWGLVEGKGPKAYDWSAYKQLFELVQKAGLKLQAIMSFHQCGGNVGDAVNIPIPQWVRDVGTRDPDIFYTDGHGTRNIEYLTLGVDNQPLFHGRSAVQMYADYMTSFRENMKEFLDAGVIVDIEVGLGPAGEMRYPSYPQSHGWSFPGIGEFICYDKYLQADFKAAAAAVGHPEWEFPNDVGQYNDTPERTQFFRDNGTYLSEKGRFFLAWYSNNLIKHGDRILDEANKVFLGYKVQLAIKISGIHWWYKVPSHAAELTAGYYNLHDRDGYRTIARMLKRHRASINFTCAEMRDSEQSSQAMSAPEELVQQVLSAGWREGLNVACENALPRYDPTAYNTILRNARPHGINQSGPPEHKLFGFTYLRLSNQLVEGQNYANFKTFVDRMHANLPRDPYVDPMAPLPRSGPEISIEMILQAAQPKLQPFPFQEHTDLPVG 2ya2 A 2.37 BS01 NOJ A 1 W210 Y212 F288 D323 M324 E352 H439 D440 W230 Y232 F308 D343 M344 E372 H459 D460 W90 S185 Y186 T221 D323 E352 D440 W110 S205 Y206 T241 D343 E372 D460 3.2.1.41 0004553,0005975 A0A0H2UNG0 21565699 1689 TSWRLKDETYSYDGKLGADLKEEGKQVDLTLWSPSADKVSVVVYDKNDPDKVVGTVALEKGERGTWKQTLDSTNKLGITDFTGYYYQYQIERQGKTVLALDPYAKSLAAWNSDDSKIDDAHKVAKAAFVDPAKLGPQDLTYGKIHNFKTREDAVIYEAHVRDFTSDPAIAKDLTKPFGTFEAFIEKLDYLKDLGVTHIQLLPVLSYYFVNELKNHERLSDYASSNSNYNWGYDPQNYFSLTGMYSSDPKNPEKRIAEFKNLINEIHKRGMGAILDVVYNHTAKVDLFEDLEPNYYHFMDADGTPRTSFGGGRLGTTHHMTKRLLIDSIKYLVDTYKVDGFRFDMMGDHDAASIEEAYKAARALNPNLIMLGEGWRTYAGDENMPTKAADQDWMKHTDTVAVFSDDIRNNLKSGYPNEGQPAFITGGKRDVNTIFKNLIAQPTNFEADSPGDVIQYIAAHDDLTLFDIIAQSIKKDPSKAENYAEIHRRLRLGNLMVLTAQGTPFIHSGQEYGRTKQFRNPAYRTPVAEDKVPNKSHLLRDKDGNPFDYPYFIHDSYDSSDAVNKFDWTKATDGKAYPENVKSRDYMKGLIALRQSTDAFRLKSLQDIKDRVHLITVPGQNGVEKEDVVIGYQITAPNGDIYAVFVNADEKAREFNLGTAFAHLRNAEVLADENQAGPVGIANPKGLEWTEKGLKLNALTATVLRVSQN 3gbe A 1.7 BS01 NOJ A 1 D75 Y78 H118 F178 R212 D214 H341 D342 R429 D60 Y63 H103 F163 R197 D199 H326 D327 R414 D113 R212 D214 E268 H341 D342 D98 R197 D199 E253 H326 D327 5.4.99.11 0004556,0005975,0009313,0050006 Ki=10uM -logKd/Ki=5.00, Ki=10uM D0VX20 19427862 8000 TIPKWWKEAVFYQVYPRSFKDTNGDGIGDINGIIEKLDYLKALGIDAIWINPHYDSPNTDNGYDIRDYRKIMKEYGTMEDFDRLISEMKKRNMRLMIDVVINHTSDQNEWFVKSKSSKDNPYRGYYFWKDAKEGQAPNNYPSFFGGSAWQKDEKTNQYYLHYFAKQQPDLNWDNPKVRQDLYAMLRFWLDKGVSGLRFDTVATYSKIPDFPNLTQQQLKNFAAEYTKGPNIHRYVNEMNKEVLSHYDIATAGEIFGVPLDQSIKFFDRRRDELNIAFTFDLIRLDRDSDQRWRRKDWKLSQFRQIIDNVDRTAGEYGWNAFFLDNHDNPRAVSHFGDDRPQWREPSAKALATLTLTQRATPFIYQGSELGMTNYPFKAIDEFDDIEVKGFWHDYVETGKVKADEFLQNVRLTSRDNSRTPFQWDGSKNAGFTSGKPWFKVNPNYQEINAVSQVTQPDSVFNYYRQLIKIRHDIPALTYGTYTDLDPANDSVYAYTRSLGAEKYLVVVNFKEQMMRYKLPDNLSIEKVIIDSNSKNVVKKNDSLLELKPWQSGVYKLNQ 3gxt A 2.7 BS01 NOJ A 1 D92 D93 Y134 C142 K168 D170 E203 R227 D231 D61 D62 Y103 C111 K137 D139 E172 R196 D200 D170 D231 D139 D200 3.2.1.22 0003824,0004553,0004557,0005102,0005515,0005576,0005737,0005764,0005794,0005975,0006629,0009311,0016139,0016787,0016798,0016936,0019915,0030168,0030431,0031133,0035578,0042803,0043202,0045019,0046477,0046479,0051001,0070062,0070527,0090325 -logKd/Ki=4.74, Ki=18uM P06280 19374450 430 LDNGLARTPTMGWLHWERFMCNLDCQEEPDSCISEKLFMEMAELMVSEGWKDAGYEYLCIDDCWMAPQRDSEGRLQADPQRFPHGIRQLANYVHSKGLKLGIYADVGNKTCAGFPGSFGYYDIDAQTFADWGVDLLKFDGCYCDSLENLADGYKHMSLALNRTGRSIVYSCEWPLYMWPFQKPNYTEIRQYCNHWRNFADIDDSWKSIKSILDWTSFNQERIVDVAGPGGWNDPDMLVIGNFGLSWNQQVTQMALWAIMAAPLFMSNDLRHISPQAKALLQDKDVIAINQDPLGKQGYQLRQGDNFEVWERPLSGLAWAVAMINRQEIGGPRSYTIAVASLGKGVACNPACFITQLLPVKRKLGFYEWTSRLRSHINPTGTVLLQLENTM 3gxt B 2.7 BS01 NOJ B 1 W47 D92 D93 Y134 C142 K168 D170 E203 R227 D231 W16 D61 D62 Y103 C111 K137 D139 E172 R196 D200 D170 D231 D139 D200 3.2.1.22 0003824,0004553,0004557,0005102,0005515,0005576,0005737,0005764,0005794,0005975,0006629,0009311,0016139,0016787,0016798,0016936,0019915,0030168,0030431,0031133,0035578,0042803,0043202,0045019,0046477,0046479,0051001,0070062,0070527,0090325 -logKd/Ki=4.74, Ki=18uM P06280 19374450 1 LDNGLARTPTMGWLHWERFMCNLDCQEEPDSCISEKLFMEMAELMVSEGWKDAGYEYLCIDDCWMAPQRDSEGRLQADPQRFPHGIRQLANYVHSKGLKLGIYADVGNKTCAGFPGSFGYYDIDAQTFADWGVDLLKFDGCYCDSLENLADGYKHMSLALNRTGRSIVYSCEWPLYMWPFQKPNYTEIRQYCNHWRNFADIDDSWKSIKSILDWTSFNQERIVDVAGPGGWNDPDMLVIGNFGLSWNQQVTQMALWAIMAAPLFMSNDLRHISPQAKALLQDKDVIAINQDPLGKQGYQLRQGDNFEVWERPLSGLAWAVAMINRQEIGGPRSYTIAVASLGKGVACNPACFITQLLPVKRKLGFYEWTSRLRSHINPTGTVLLQLENTMQ 3qfz A 2.39 BS02 NOJ A 1 R362 R367 D368 W488 D490 E659 F664 R362 R367 D368 W488 D490 E659 F664 2.4.1.20 0003824,0005975,0016757,0030246 -logKd/Ki=3.24, Ki=570uM O66264 1903 MRYGHFDDAAREYVITTPHTPYPWINYLGSEQFFSLLSHQAGGYSFYRDAKMRRLTRYRYNNIPADAGGRYLYVNDGGDVWTPSWLPVKADLDHFEARHGLGYSRITGERNGLKVETLFFVPLGENAEVQKVTVTNTSDAPKTATLFSFVEFCLWNAQDDQTNYQRNLSIGEVEVEQDGPHGSAIYHKTEYRERRDHYAVFGVNTRADGFDTDRDTFVGAYNSLGEASVPRAGKSADSVASGWYPIGSHSVAVTLQPGESRDLVYVLGYLENPDEEKWADDAHQVVNKAPAHALLGRFATSEQVDAALEALNSYWTNLLSTYSVSSTDEKLDRMVNIWNQYQCMVTFNMSRSASFFETGIGRGMGFRDSNQDLLGFVHLIPERARERIIDIASTQFADGSAYHQYQPLTKRGNNDIGSGFNDDPLWLIAGVAAYIKESGDWGILDEPVPFDNEPGSEVPLFEHLTRSFQFTVQNRGPHGLPLIGRADWNDCLNLNCFSTTPGESFQTTENQAGGVAESVFIAAQFVLYGAEYATLAERRGLADVATEARKYVDEVRAAVLEHGWDGQWFLRAYDYYGNPVGTDAKPEGKIWIEPQGFAVMAGIGVGEGPDDADAPAVKALDSVNEMLGTPHGLVLQYPAYTTYQIELGEVSTYPPGYKENGGIFCHNNPWVIIAETVVGRGAQAFDYYKRITPAYREDISDTHKLEPYVYAQMIAGKEAVRAGEAKNSWLTGTAAWNFVAVSQYLLGVRPDYDGLVVDPQIGPDVPSYTVTRVARGATYEITVTNSGAPGARASLTVDGAPVDGRTVPYAPAGSTVRVEVTV 3qfz B 2.39 BS02 NOJ B 1 R362 R367 D368 W488 N489 D490 E659 F664 R362 R367 D368 W488 N489 D490 E659 F664 2.4.1.20 0003824,0005975,0016757,0030246 -logKd/Ki=3.24, Ki=570uM O66264 2903 MRYGHFDDAAREYVITTPHTPYPWINYLGSEQFFSLLSHQAGGYSFYRDAKMRRLTRYRYNNIPADAGGRYLYVNDGGDVWTPSWLPVKADLDHFEARHGLGYSRITGERNGLKVETLFFVPLGENAEVQKVTVTNTSDAPKTATLFSFVEFCLWNAQDDQTNYQRNLSIGEVEVEQDGPHGSAIYHKTEYRERRDHYAVFGVNTRADGFDTDRDTFVGAYNSLGEASVPRAGKSADSVASGWYPIGSHSVAVTLQPGESRDLVYVLGYLENPDEEKWADDAHQVVNKAPAHALLGRFATSEQVDAALEALNSYWTNLLSTYSVSSTDEKLDRMVNIWNQYQCMVTFNMSRSASFFETGIGRGMGFRDSNQDLLGFVHLIPERARERIIDIASTQFADGSAYHQYQPLTKRGNNDIGSGFNDDPLWLIAGVAAYIKESGDWGILDEPVPFDNEPGSEVPLFEHLTRSFQFTVQNRGPHGLPLIGRADWNDCLNLNCFSTTPGESFQTTENQAGGVAESVFIAAQFVLYGAEYATLAERRGLADVATEARKYVDEVRAAVLEHGWDGQWFLRAYDYYGNPVGTDAKPEGKIWIEPQGFAVMAGIGVGEGPDDADAPAVKALDSVNEMLGTPHGLVLQYPAYTTYQIELGEVSTYPPGYKENGGIFCHNNPWVIIAETVVGRGAQAFDYYKRITPAYREDISDTHKLEPYVYAQMIAGKEAVRAGEAKNSWLTGTAAWNFVAVSQYLLGVRPDYDGLVVDPQIGPDVPSYTVTRVARGATYEITVTNSGAPGARASLTVDGAPVDGRTVPYAPAGSTVRVEVTV 3qg0 A 2.7 BS02 NOJ A 1 R362 R367 D368 W488 D490 E659 F664 R362 R367 D368 W488 D490 E659 F664 2.4.1.20 0003824,0005975,0016757,0030246 O66264 1903 MRYGHFDDAAREYVITTPHTPYPWINYLGSEQFFSLLSHQAGGYSFYRDAKMRRLTRYRYNNIPADAGGRYLYVNDGGDVWTPSWLPVKADLDHFEARHGLGYSRITGERNGLKVETLFFVPLGENAEVQKVTVTNTSDAPKTATLFSFVEFCLWNAQDDQTNYQRNLSIGEVEVEQDGPHGSAIYHKTEYRERRDHYAVFGVNTRADGFDTDRDTFVGAYNSLGEASVPRAGKSADSVASGWYPIGSHSVAVTLQPGESRDLVYVLGYLENPDEEKWADDAHQVVNKAPAHALLGRFATSEQVDAALEALNSYWTNLLSTYSVSSTDEKLDRMVNIWNQYQCMVTFNMSRSASFFETGIGRGMGFRDSNQDLLGFVHLIPERARERIIDIASTQFADGSAYHQYQPLTKRGNNDIGSGFNDDPLWLIAGVAAYIKESGDWGILDEPVPFDNEPGSEVPLFEHLTRSFQFTVQNRGPHGLPLIGRADWNDCLNLNCFSTTPGESFQTTENQAGGVAESVFIAAQFVLYGAEYATLAERRGLADVATEARKYVDEVRAAVLEHGWDGQWFLRAYDYYGNPVGTDAKPEGKIWIEPQGFAVMAGIGVGEGPDDADAPAVKALDSVNEMLGTPHGLVLQYPAYTTYQIELGEVSTYPPGYKENGGIFCHNNPWVIIAETVVGRGAQAFDYYKRITPAYREDISDTHKLEPYVYAQMIAGKEAVRAGEAKNSWLTGTAAWNFVAVSQYLLGVRPDYDGLVVDPQIGPDVPSYTVTRVARGATYEITVTNSGAPGARASLTVDGAPVDGRTVPYAPAGSTVRVEVTV 3qg0 B 2.7 BS02 NOJ B 1 R362 R367 D368 W488 N489 D490 E659 F664 R362 R367 D368 W488 N489 D490 E659 F664 2.4.1.20 0003824,0005975,0016757,0030246 O66264 2903 MRYGHFDDAAREYVITTPHTPYPWINYLGSEQFFSLLSHQAGGYSFYRDAKMRRLTRYRYNNIPADAGGRYLYVNDGGDVWTPSWLPVKADLDHFEARHGLGYSRITGERNGLKVETLFFVPLGENAEVQKVTVTNTSDAPKTATLFSFVEFCLWNAQDDQTNYQRNLSIGEVEVEQDGPHGSAIYHKTEYRERRDHYAVFGVNTRADGFDTDRDTFVGAYNSLGEASVPRAGKSADSVASGWYPIGSHSVAVTLQPGESRDLVYVLGYLENPDEEKWADDAHQVVNKAPAHALLGRFATSEQVDAALEALNSYWTNLLSTYSVSSTDEKLDRMVNIWNQYQCMVTFNMSRSASFFETGIGRGMGFRDSNQDLLGFVHLIPERARERIIDIASTQFADGSAYHQYQPLTKRGNNDIGSGFNDDPLWLIAGVAAYIKESGDWGILDEPVPFDNEPGSEVPLFEHLTRSFQFTVQNRGPHGLPLIGRADWNDCLNLNCFSTTPGESFQTTENQAGGVAESVFIAAQFVLYGAEYATLAERRGLADVATEARKYVDEVRAAVLEHGWDGQWFLRAYDYYGNPVGTDAKPEGKIWIEPQGFAVMAGIGVGEGPDDADAPAVKALDSVNEMLGTPHGLVLQYPAYTTYQIELGEVSTYPPGYKENGGIFCHNNPWVIIAETVVGRGAQAFDYYKRITPAYREDISDTHKLEPYVYAQMIAGKEAVRAGEAKNSWLTGTAAWNFVAVSQYLLGVRPDYDGLVVDPQIGPDVPSYTVTRVARGATYEITVTNSGAPGARASLTVDGAPVDGRTVPYAPAGSTVRVEVTV 3vig A 0.99 BS01 NOJ A 1 Q45 H148 N192 E193 Y337 E402 W444 E451 F460 Q19 H122 N166 E167 Y311 E376 W418 E425 F434 R103 H148 E193 T196 N335 Y337 E402 R77 H122 E167 T170 N309 Y311 E376 3.2.1.21 0004553,0005975,0008422,0016798,0102483 Q8T0W7 22751668 507 TVYTFPDEFKLGAATASYQIEGAWDENGKGPNIWDTLTHEHPDYVVDGATGDIADDSYHLYKEDVKILKELGAQVYRFSISWARVLPEGHDNIVNQDGIDYYNNLINELLANGIEPMVTMYHWDLPQALQDLGGWPNLVLAKYSENYARVLFKNFGDRVKLWLTFNEPLTFMDGYASEIGMAPSINTPGIGDYLAAHTVIHAHARIYHLYDQEFRAEQGGKVGISLNINWCEPATNSAEDRASCENYQQFNLGLYAHPIFTEEGDYPAVLKDRVSRNSADEGYTDSRLPQFTAEEVEYIRGTHDFLGINFYTALLGKSGVEGYEPSRYRDSGVILTQDAAWPISASSWLKVVPWGFRKELNWIKNEYNNPPVFITENGFSDYGGLNDTGRVHYYTEHLKEMLKAIHEDGVNVIGYTAWSLMDNFEWLRGYSEKFGIYAVDFEDPARPRIPKESAKVLAEIMNTRKIPERFRD 4hp0 A 1.19 BS01 NOJ A 1 E35 N46 D52 W108 E35 N46 D52 W108 E35 N46 D48 S50 D52 N59 E35 N46 D48 S50 D52 N59 3.2.1.17 0003796,0005515,0005576,0005615,0005737,0005783,0016231,0016798,0016998,0031640,0042742,0042802,0050829,0050830,0051672 -logKd/Ki=6.12, Kd=0.76uM P00698 23303182 201 KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCR 4hpi A 1.19 BS01 NOJ A 1 E35 D52 E35 D52 E35 N46 D48 S50 D52 N59 E35 N46 D48 S50 D52 N59 3.2.1.17 0003796,0005515,0005576,0005615,0005737,0005783,0016231,0016798,0016998,0031640,0042742,0042802,0050829,0050830,0051672 -logKd/Ki=4.85, Kd=14.2uM P00698 23303182 201 KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCR 4iid A 2.3 BS06 NOJ A 1 D92 R156 K189 H190 Y248 D280 W281 E509 D71 R135 K168 H169 Y227 D259 W260 E488 D280 A507 D259 A486 3.2.1.21 0004553,0005975,0008422,0009251,0016798,0030245,0102483 Ki=2.4uM -logKd/Ki=5.62, Ki=2.4uM P48825 23537284 940 LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAEVLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNAVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTRRDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ 4iid B 2.3 BS07 NOJ B 1 V74 D92 R156 K189 H190 Y248 D280 W281 S451 E509 V53 D71 R135 K168 H169 Y227 D259 W260 S430 E488 D280 A507 D259 A486 3.2.1.21 0004553,0005975,0008422,0009251,0016798,0030245,0102483 Ki=2.4uM P48825 23537284 949 LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAEVLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTRRDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ 5bx3 A 1.96 BS01 NOJ A 1 E441 D452 H507 Y523 T591 D593 E777 R786 E409 D420 H475 Y491 T559 D561 E745 R754 3.2.1.45 0004348,0004553,0005975,0006680,0008422,0016020,0016798,0046872 Ki=0.13uM F6BL85 27115290 901 DKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEV 5dky A 1.6 BS01 NOJ A 1 W415 D443 W554 D556 M557 R617 W630 D633 F666 H691 W366 D394 W505 D507 M508 R568 W581 D584 F617 H642 3.2.1.20 0003824,0004553,0005975,0006491,0016798,0017177,0030246,0090599 G0SG42 26847925 1000 EFVKEHDWKKCDQSGFCRRNRAYADHALSAISWESPYKIAPETGSFKDGQYQAIILKTINDHGETVRLPLTVSFLESGTARVTIDEEKRQKGEIELRHDSKARKERYNEAEQWVIVGGMTLDKGAKVDYEDKTQMTVKYGPSSKFEATIKFAPFSIDFKRDGASHIKFNDQGLLNIEHWRPKIDPPDDSTWWEESFGGNTDSKPRGPESVGLDISFVGYEHVFGIPSHASPLSLKQTRGGEGNYNEPYRMYNADVFEYILDSPMTLYGSIPFMQAHRKDSSVGIFWLNAAETWVDITKGKDSKNPLALGVKSKITTRTHWFSESGLLDVFVFLGPTPKDIISKYAELTGTTAMPQEFSLGYHQCRWNYVSDEDVKDVDRKMDKFNMPYDVIWLDIEYTDEKKYFTWDKHSFKDPIGMGKQLEAHGRKLVTIIDPHIKNTNNYPVVDELKSKDLAVKTKDGSIFEGWCWPGSSHWIDAFNPAAREWWKGLFKYDKFKGTMENTFIWNDMNEPSVFNGPEVTMPKDNLHHGNWEHRDVHNLNGMTFQNATYHALLSRKPGEHRRPFVLTRAFFAGSQRLGAMWTGDNTADWGYLKASIPMVLSQGIAGFPFAGADVGGFFGNPDKDLLTRWYQTGIFYPFFRAHAHIDARRREPYLTGEPYNTIIAAALRLRYSLLPSWYTAFRHAHLDGTPIIKPMFYTHPSEEAGLPIDDQFFIGNTGLLAKPVTDKDRTSVDIWIPDSEVYYDYFTYDIISAAKSKTATLDAPLEKIPLLMRGGHVFARRDIPRRSSALMKWDPYTLVVVLGNDRKAEGDLYVDDGDSFDYEKGQYIHRRFIFDANTLTSADYEGRDDASIKEGEWLKKMRTVNVEKIIVVGAPAAWKGKKTVTVESEGKTWAAAIEYNPAEKSRAAFAVVKKVGVRVGADFKIVFG 5iee A 1.92 BS01 NOJ A 1 W423 D451 W562 D564 M565 R624 W637 D640 F673 H698 W314 D342 W453 D455 M456 R515 W528 D531 F564 H589 3.2.1.207 0003824,0004553,0005975,0030246 -logKd/Ki=4.94, IC50=11.4uM Q8BHN3 27462106 1023 VDRSNFKTCDESSFCKRQRSIRPGLSPYRALLDTLQLGPDALTVHLIHEVTKVLLVLELQGLQKNMTRIRIDELEPRRPRYRVPDVLVADPPTARLSVSGRDDNSVELTVAEGPYKIILTAQPFRLDLLEDRSLLLSVNARGLMAFEHQRAPREPGAWEETFKTHSDSKPYGPTSVGLDFSLPGMEHVYGIPEHADSLRLKVTEGGEPYRLYNLDVFQYELNNPMALYGSVPVLLAHSFHRDLGIFWLNAAETWVDISSNTPQTDIRWMSESGIIDVFLMLGPSVFDVFRQYASLTGTQALPPLFSLGYHQSRWNYRDEADVLEVDQGFDDHNMPCDVIWLDIEHADGKRYFTWDPTRFPQPLNMLEHLASKRRKLVAIVDPHIKVDSGYRVHEELRNHGLYVKTRDGSDYEGWCWPGSASYPDFTNPRMRAWWSNMFSFDNYEGSAPNLYVWNDMNEPSVFNGPEVTMLKDAVHYGGWEHRDIHNIYGLYVHMATADGLIQRSGGIERPFVLSRAFFSGSQRFGAVWTGDNTAEWDHLKISIPMCLSLALVGLSFCGADVGGFFKNPEPELLVRWYQMGAYQPFFRAHAHLDTGRREPWLLASQYQDAIRDALFQRYSLLPFWYTLFYQAHKEGFPVMRPLWVQYPEDMSTFSIEDQFMLGDALLIHPVSDAGAHGVQVYLPGQEEVWYDIQSYQKHHGPQTLYLPVTLSSIPVFQRGGTIVPRWMRVRRSSDCMKDDPITLFVALSPQGTAQGELFLDDGHTFNYQTRHEFLLRRFSFSGSTLVSSSADPKGHLETPIWIERVVIMGAGKPAAVVLQTKGSPESRLSFQHDPETSVLILRKPGVSVASDWSIHLR 5ngl A 1.85 BS01 NOJ A 1 D131 N237 E238 Y316 E339 W377 C393 D87 N193 E194 Y272 E295 W333 C349 E238 E339 S341 D358 E194 E295 S297 D314 ? 0004348,0006665,0006680,0016798 Q8A2J3 28461332 501 GDVAIYTTTSSLTRDLTRDAVNFSTITLNPAEQYQTMDGFGAAITGSTCYNLLLMKPADRHAFLTETFSDKDGFGFSYIRISIGCSDFSLSEYTCCDTKGIENFALQSEEKDYILPILKEILAINPSIKVIAAPWTCPKWMKVKSLTDRTPLDSWTNGQLNPDYYQDYATYFVKWIQAFKAEGIDIYAVTPQNEPLNRGNSASLYMEWEEQRDFVKTALGPQMKAAGLSTKIYAFDHNYNYDNIESQKNYPGKIYEDAAASQYLAGAAYHNYGGNREELLNIHQAYPEKELLFTETSIGTWNSGRDLSKRLMEDMEEVALGTINNWCKGVIVWNLMLDNDRGPNREGGCQTCYGAVDINNSDYKTIIRNSHYYIIAHLSSVVKPGAVRIATTGYTDNGITCSAFENTDGTYAFVLINNNEKSKKITVSDGQRHFAYDVPGKSVTSYRWAK 5ngl B 1.85 BS01 NOJ B 1 D131 N237 E238 Y316 E339 W377 D90 N196 E197 Y275 E298 W336 E238 E339 S341 D358 E197 E298 S300 D317 ? 0004348,0006665,0006680,0016798 Q8A2J3 28461332 501 TGDVAIYTTTSSLTRDLTRDAVNFSPTTITLNPAEQYQTMDGFGAAITGSTCYNLLLMKPADRHAFLTETFSDKDGFGFSYIRISIGCSDFSLSEYTCCDTKGIENFALQSEEKDYILPILKEILAINPSIKVIAAPWTCPKWMKVKSLTDRTPLDSWTNGQLNPDYYQDYATYFVKWIQAFKAEGIDIYAVTPQNEPLNRGNSASLYMEWEEQRDFVKTALGPQMKAAGLSTKIYAFDHNYNYDNIESQKNYPGKIYEDAAASQYLAGAAYHNYGGNREELLNIHQAYPEKELLFTETSIGTWNSGRDLSKRLMEDMEEVALGTINNWCKGVIVWNLMLDNDRGPNREGGCQTCYGAVDINNSDYKTIIRNSHYYIIAHLSSVVKPGAVRIATTGYTDNGITCSAFENTDGTYAFVLINNNEKSKKITVSDGQRHFAYDVPGKSVTSYRWAKS 5ngl C 1.85 BS01 NOJ C 1 D131 N237 E238 N244 Y316 E339 W377 D88 N194 E195 N201 Y273 E296 W334 E238 E339 S341 D358 E195 E296 S298 D315 ? 0004348,0006665,0006680,0016798 Q8A2J3 28461332 501 GDVAIYTTTSSLTRDLTRDAVNFSTTITLNPAEQYQTMDGFGAAITGSTCYNLLLMKPADRHAFLTETFSDKDGFGFSYIRISIGCSDFSLSEYTCCDTKGIENFALQSEEKDYILPILKEILAINPSIKVIAAPWTCPKWMKVKSLTDRTPLDSWTNGQLNPDYYQDYATYFVKWIQAFKAEGIDIYAVTPQNEPLNRGNSASLYMEWEEQRDFVKTALGPQMKAAGLSTKIYAFDHNYNYDNIESQKNYPGKIYEDAAASQYLAGAAYHNYGGNREELLNIHQAYPEKELLFTETSIGTWNSGRDLSKRLMEDMEEVALGTINNWCKGVIVWNLMLDNDRGPNREGGCQTCYGAVDINNSDYKTIIRNSHYYIIAHLSSVVKPGAVRIATTGYTDNGITCSAFENTDGTYAFVLINNNEKSKKITVSDGQRHFAYDVPGKSVTSYRWAKS 5nn5 A 2.0 BS01 NOJ A 1 W376 D404 L405 D518 R600 W613 D616 F649 H674 W283 D311 L312 D425 R507 W520 D523 F556 H581 3.2.1.20 0000023,0002026,0002086,0003007,0003824,0004553,0004558,0005764,0005765,0005886,0005975,0005977,0005980,0005985,0006006,0006941,0007040,0007626,0009888,0016020,0016798,0030246,0035577,0035904,0043181,0043202,0043231,0046716,0050884,0050885,0060048,0061723,0070062,0070821,0090599,0101003,0120282 Ki=3.4uM -logKd/Ki=5.47, Ki=3.4uM P10253 29061980 1016 QCDVPPNSRFDCAPDKAITQEQCEARGCCYIPAKQGQPWCFFPPSYPSYKLENLSSSEMGYTATLTRTTPTFFPKDILTLRLDVMMETENRLHFTIKDPANRRYEVPLETAPSPLYSVEFSEEPFGVIVHRQLDGRVLLNTTVAPLFFADQFLQLSTSLPSQYITGLAEHLSPLMLSTSWTRITLWNRDLAPTPGANLYGSHPFYLALEDGGSAHGVFLLNSNAMDVVLQPSPALSWRSTGGILDVYIFLGPEPKSVVQQYLDVVGYPFMPPYWGLGFHLCRWGYSSTAITRQVVENMTRAHFPLDVQWNDLDYMDSRRDFTFNKDGFRDFPAMVQELHQGGRRYMMIVDPAISSSGPAGSYRPYDEGLRRGVFITNETGQPLIGKVWPGSTAFPDFTNPTALAWWEDMVAEFHDQVPFDGMWIDMNEPSNFIRGSEDGCPNNELENPPYVPGVVGGTLQAATICASSHQFLSTHYNLHNLYGLTEAIASHRALVKARGTRPFVISRSTFAGHGRYAGHWTGDVWSSWEQLASSVPEILQFNLLGVPLVGADVCGFLGNTSEELCVRWTQLGAFYPFMRNHNSLLSLPQEPYSFSEPAQQAMRKALTLRYALLPHLYTLFHQAHVAGETVARPLFLEFPKDSSTWTVDHQLLWGEALLITPVLQAGKAEVTGYFPLGTWYDLQTVPIEEPAIHSEGQWVTLPAPLDTINVHLRAGYIIPLQGPGLTTTESRQQPMALAVALTKGGEARGELFWDDGESLEVLERGAYTQVIFLARNNTIVNELVRVTSEGAGLQLQKVTVLGVATAPQQVLSNGVPVSNFTYSPDTKVLDICVSLLMGEQFLVSWC 5ns8 A 1.55 BS01 NOJ A 1 Q18 H119 N163 E164 Y291 E349 W395 E402 W403 F411 Q19 H120 N164 E165 Y292 E350 W396 E403 W404 F412 0004553,0005975,0008422,0030245 30345395 506 HMKKWGDMFTWGVSTSSYQIEGAANQGGRGPSIWDTFSKIPGAVANGDNGDVACDHYHRYNEDLDLMKWLGVGAYRFSIAWPRVIPSGYGALNKEGMDFYDRLIDGALERGITPWPTLYHWDLPQSLQDKGGWNNRDCAYWFAEYSQKMAEAFSDRLKNWITINEPFCSAWLGHLYGVMAPGIKDLKTGINASHHLLLGHGLATKAIREVSSELKVGITLNFTPAITLGESSEDKLAVELADGFDNRWFGDPVFKAKYPEDIVKAFGKEVPIHPGDMEIISTPLDYLGLNYYFRQTVEYDATAKPLPYKQVTAPNVERTGMGWEVHAQSFTELLERVSKEYKPKEIFITENGSAWDDEVVDGKVDDPNRVSYLERHLDAMFAAKNKGVPISGYFAWSLIDNFEWAYGYAKRFGIIYVDYQTQKRIPKSSAYYYQKRIKES 5ns8 B 1.55 BS01 NOJ B 1 Q18 H119 N163 E164 Y291 E349 W395 E402 W403 F411 Q19 H120 N164 E165 Y292 E350 W396 E403 W404 F412 0004553,0005975,0008422,0030245 30345395 510 HMKKWGDMFTWGVSTSSYQIEGAANQGGRGPSIWDTFSKIPGAVANGDNGDVACDHYHRYNEDLDLMKWLGVGAYRFSIAWPRVIPSGYGALNKEGMDFYDRLIDGALERGITPWPTLYHWDLPQSLQDKGGWNNRDCAYWFAEYSQKMAEAFSDRLKNWITINEPFCSAWLGHLYGVMAPGIKDLKTGINASHHLLLGHGLATKAIREVSSELKVGITLNFTPAITLGESSEDKLAVELADGFDNRWFGDPVFKAKYPEDIVKAFGKEVPIHPGDMEIISTPLDYLGLNYYFRQTVEYDATAKPLPYKQVTAPNVERTGMGWEVHAQSFTELLERVSKEYKPKEIFITENGSAWDDEVVDGKVDDPNRVSYLERHLDAMFAAKNKGVPISGYFAWSLIDNFEWAYGYAKRFGIIYVDYQTQKRIPKSSAYYYQKRIKES 5ns8 C 1.55 BS01 NOJ C 1 Q18 H119 E164 Y291 E349 W395 E402 W403 F411 Q19 H120 E165 Y292 E350 W396 E403 W404 F412 0004553,0005975,0008422,0030245 30345395 506 HMKKWGDMFTWGVSTSSYQIEGAANQGGRGPSIWDTFSKIPGAVANGDNGDVACDHYHRYNEDLDLMKWLGVGAYRFSIAWPRVIPSGYGALNKEGMDFYDRLIDGALERGITPWPTLYHWDLPQSLQDKGGWNNRDCAYWFAEYSQKMAEAFSDRLKNWITINEPFCSAWLGHLYGVMAPGIKDLKTGINASHHLLLGHGLATKAIREVSSELKVGITLNFTPAITLGESSEDKLAVELADGFDNRWFGDPVFKAKYPEDIVKAFGKEVPIHPGDMEIISTPLDYLGLNYYFRQTVEYDATAKPLPYKQVTAPNVERTGMGWEVHAQSFTELLERVSKEYKPKEIFITENGSAWDDEVVDGKVDDPNRVSYLERHLDAMFAAKNKGVPISGYFAWSLIDNFEWAYGYAKRFGIIYVDYQTQKRIPKSSAYYYQKRIKES 5wcz A 1.58 BS01 NOJ A 1 D59 Y62 H102 F163 D199 V200 E255 H331 D332 R418 D57 Y60 H100 F161 D197 V198 E250 H326 D327 R413 D97 R197 D199 E255 H331 D332 D95 R195 D197 E250 H326 D327 3.2.1.10 0004556,0004574,0005737,0005975,0009313,0016798,0046872 O06994 29563521 601 EWWKEAVVYQIYPRSFYDANGDGFGDLQGVIQKLDYIKNLGADVIWLSPVFDSPQDDNGYDISDYKNMYEKFGTNEDMFQLIDEVHKRGMKIVMDLVVNHTSDEHAWFAESRKSKDNPYRDYYLWKDPKPDGSEPNNWGSIFSGSAWTYDEGTGQYYLHYFSKKQPDLNWENEAVRREVYDVMRFWMDRGVDGWRMDVIGSISKYTDFPDYETRSYIVGRYHSNGPRLHEFIQEMNREVLSHYDCMTVGEANGSDIEEAKKYTDASRQELNMIFTFEHMDIDKEQNSPNGKWQIKPFDLIALKKTMTRWQTGLMNVGWNTLYFENHDQPRVISRWGNDRKLRKECAKAFATVLHGMKGTPFIYQGEEIGMVNSDMPLEMYDDLEIKNAYRELVVENKTMSEKEFVKAVMIKGRDHARTPMQWDAGKHAGFTAGDPWIPVNSRYQDINVKESLEDQDSIFFYYQKLIQLRKQYKIMIYGDYQLLQENDPQVFSYLREYRGEKLLVVVNLSEEKALFEAPPELIHERWKVLISNYPQERADLKSISLKPYEAVMGISI 5wcz B 1.58 BS01 NOJ B 1 D59 Y62 H102 F163 D199 E255 H331 D332 R418 D57 Y60 H100 F160 D196 E248 H324 D325 R411 D97 R197 D199 E255 H331 D332 D95 R194 D196 E248 H324 D325 3.2.1.10 0004556,0004574,0005737,0005975,0009313,0016798,0046872 O06994 29563521 601 EWWKEAVVYQIYPRSFYDANGDGFGDLQGVIQKLDYIKNLGADVIWLSPVFDSPQDDNGYDISDYKNMYEKFGTNEDMFQLIDEVHKRGMKIVMDLVVNHTSDEHAWFAESRKSKDNPYRDYYLWKDPKPDSEPNNWGSIFSGSAWTYDEGTGQYYLHYFSKKQPDLNWENEAVRREVYDVMRFWMDRGVDGWRMDVIGSISKYTDFPDYETSYIVGRYHSNGPRLHEFIQEMNREVLSHYDCMTVGEANGSDIEEAKKYTDASRQELNMIFTFEHMDIDKEQNSPNGKWQIKPFDLIALKKTMTRWQTGLMNVGWNTLYFENHDQPRVISRWGNDRKLRKECAKAFATVLHGMKGTPFIYQGEEIGMVNSDMPLEMYDDLEIKNAYRELVVENKTMSEKEFVKAVMIKGRDHARTPMQWDAGKHAGFTAGDPWIPVNSRYQDINVKESLEDQDSIFFYYQKLIQLRKQYKIMIYGDYQLLQENDPQVFSYLREYRGEKLLVVVNLSEEKALFEAPPELIHERWKVLISNYPQERADLKSISLKPYEAVMGISI 6f9j A 1.67 BS01 NOJ A 1 E184 E378 A380 E180 E374 A376 3.2.1.2 0000272,0016161,0016798,0102229 A8CFR3 601 VKGNYVQVYVMLPLDAVSVNNRFEKGDELRAQLRKLVEAGVDGVMVDVWWGLVEGKGPKAYDWSAYKQLFELVQKAGLKLQAIMSFHQCGGNVGDAVNIPIPQWVRDVGTRDPDIFYTDGHGTRNIEYLTLGVDNQPLFHGRSAVQMYADYMTSFRENMKEFLDAGVIVDIEVGLGPAGEMRYPSYPQSHGWSFPGIGEFICYDKYLQADFKAAAAAVGHPEWEFPNDVGQYNDTPERTQFFRDNGTYLSEKGRFFLAWYSNNLIKHGDRILDEANKVFLGYKVQLAIKISGIHWWYKVPSHAAELTAGYYNLHDRDGYRTIARMLKRHRASINFTCAEMRDSEQSSQAMSAPEELVQQVLSAGWREGLNVACENALPRYDPTAYNTILRNARPHGINQSGPPEHKLFGFTYLRLSNQLVEGQNYVNFKTFVDRMHANLPRDPYVDPMAPLPRSGPEISIEMILQAAQPKLQPFPFQEHTDLPVG 6lgc A 1.9 BS03 NOJ A 1 D102 Y105 H145 F211 D247 E322 H388 D389 R455 D66 Y69 H109 F175 D211 E286 H352 D353 R419 D140 D247 E322 H388 D389 D104 D211 E286 H352 D353 3.2.1.20 0005975,0016787,0046872 A0A077JI83 32381508 703 PPPTEVIQLDWWKNCVLYQIYPRSFKDSDGDGIGDLKGIISELKHFVDAGVDAIWMSPIFESPMVDFGYDISNFYDIHYEYGTMEDFEELLDKAHELGLKVLLDFVPNHASNESEYFIKSEAREPGYENFFIWADPLPNPENPGVRLPPSNWVSQFGGSAWEWSEKRQQYYLHQFAIQQVDFDFRNPAVKQEMFNIMKFWLDKGADGFRLDALPYLIEADPADHEGRYPDDPLSGLTQFESHQLGYTIPLYTKDLIELYDVVYEWREFLDEYNKNHGGDTRVVFSEGYANVSMTMLYYGNEDGAIGAHFPFNFDFITDLSSKSNARDFVYIILRWLTYMPYGGIPNWVFGNHDNNRMPTRFRHDMVDGLNIINMLLPGVAVTYQGEEIGMRDGYVSWEDTVDIEACNRGDPDTYHLYSRDPARTPYHWDNSTSAGFSTSTNTWLPVAEDYQEINLAKQKETARSHFKNYQALTKLRKQATLSHGEYDIRALSDRTFYLVRSLPTHDTYVLLFNVSERRDTVDLGRVPHLTLPATVYVSSIHSARLAGHEITSSQLSLEAGEALVLKAQPI 6lgc B 1.9 BS03 NOJ B 1 D102 Y105 H145 F211 D247 E322 H388 D389 R455 D66 Y69 H109 F175 D211 E286 H352 D353 R419 D140 D247 E322 H388 D389 D104 D211 E286 H352 D353 3.2.1.20 0005975,0016787,0046872 A0A077JI83 32381508 703 PPPTEVIQLDWWKNCVLYQIYPRSFKDSDGDGIGDLKGIISELKHFVDAGVDAIWMSPIFESPMVDFGYDISNFYDIHYEYGTMEDFEELLDKAHELGLKVLLDFVPNHASNESEYFIKSEAREPGYENFFIWADPLPNPENPGVRLPPSNWVSQFGGSAWEWSEKRQQYYLHQFAIQQVDFDFRNPAVKQEMFNIMKFWLDKGADGFRLDALPYLIEADPADHEGRYPDDPLSGLTQFESHQLGYTIPLYTKDLIELYDVVYEWREFLDEYNKNHGGDTRVVFSEGYANVSMTMLYYGNEDGAIGAHFPFNFDFITDLSSKSNARDFVYIILRWLTYMPYGGIPNWVFGNHDNNRMPTRFRHDMVDGLNIINMLLPGVAVTYQGEEIGMRDGYVSWEDTVDIEACNRGDPDTYHLYSRDPARTPYHWDNSTSAGFSTSTNTWLPVAEDYQEINLAKQKETARSHFKNYQALTKLRKQATLSHGEYDIRALSDRTFYLVRSLPTHDTYVLLFNVSERRDTVDLGRVPHLTLPATVYVSSIHSARLAGHEITSSQLSLEAGEALVLKAQPI 6r5n A 2.0 BS01 NOJ A 1 D110 F154 R168 K207 H208 M251 D286 D79 F123 R137 K176 H177 M220 D255 3.2.1.21 0004553,0005975,0008422,0009251,0016798,0046872 Ki=4.4mM Q9I311 31877028 802 TDKERFIASLMARMSNAEKIGQLRLVSVGADHPKEALMADIRAGKVGAIFNTVTRPDIRAMQDQVRHSRLKIPLFHAYDVAHGHRTIFPISLGLAASWDPEVVARSARISALEASADGLDMSFSPMVDITRDARWGRVSEGFGEDTYLTSLLSGVMVRAYQGSNLAAPDSIMAAVKHFALYGAAEGGRDYNTVDMSLPRMFQDYLPPYKAAVDAGAGAVMVSLNTINGVPATANRWLLTDLLRQQWGFKGLTISDHGAVKELIKHGLAGNERDATRLAIQAGVDMNMNDDLYSTWLPKLLAAGEIDQADIDRACRDVLAAKYDLGLFADPYRRLGKPDDPPFDTNAESRLHRQAAREVAREGLVLLKNRDGLLPLKKQGRIAVIGPLAKSQRDVIGSWSAAGVPRQAVTVYQGLANAVGERATLLYAKGANVSGDQAILDYLNSYNPEVEVDPRSAEAMLEEALRTARDADLVVAVVGESQGMAHEASSRTDLRIPASQRRLLKALKATGKPLVLVLMNGRPLSLGWEQENADAILETWFSGTEGGNAIADVLFGEHNPSGKLTMSFPRSVGQVPVYYNHLNTGRPMDHDNPGKYTSRYFDEANGPLYPFGYGLSYTEFSLSPLRLSSERLARGATLEARVTLSNSGKRAGATVVQLYLQDPVASLSRPVKELRGFRKVMLEPGESREIVFRLGEADLKFYDSQLRHTAEPGEFKVFVGLDSAQTESRSFTLL 6r5n B 2.0 BS01 NOJ B 1 D110 F154 R168 K207 H208 M251 D286 D79 F123 R137 K176 H177 M220 D255 3.2.1.21 0004553,0005975,0008422,0009251,0016798,0046872 Ki=4.4mM Q9I311 31877028 802 TDKERFIASLMARMSNAEKIGQLRLVSVGADHPKEALMADIRAGKVGAIFNTVTRPDIRAMQDQVRHSRLKIPLFHAYDVAHGHRTIFPISLGLAASWDPEVVARSARISALEASADGLDMSFSPMVDITRDARWGRVSEGFGEDTYLTSLLSGVMVRAYQGSNLAAPDSIMAAVKHFALYGAAEGGRDYNTVDMSLPRMFQDYLPPYKAAVDAGAGAVMVSLNTINGVPATANRWLLTDLLRQQWGFKGLTISDHGAVKELIKHGLAGNERDATRLAIQAGVDMNMNDDLYSTWLPKLLAAGEIDQADIDRACRDVLAAKYDLGLFADPYRRLGKPDDPPFDTNAESRLHRQAAREVAREGLVLLKNRDGLLPLKKQGRIAVIGPLAKSQRDVIGSWSAAGVPRQAVTVYQGLANAVGERATLLYAKGANVSGDQAILDYLNSYNPEVEVDPRSAEAMLEEALRTARDADLVVAVVGESQGMAHEASSRTDLRIPASQRRLLKALKATGKPLVLVLMNGRPLSLGWEQENADAILETWFSGTEGGNAIADVLFGEHNPSGKLTMSFPRSVGQVPVYYNHLNTGRPMDHDNPGKYTSRYFDEANGPLYPFGYGLSYTEFSLSPLRLSSERLARGATLEARVTLSNSGKRAGATVVQLYLQDPVASLSRPVKELRGFRKVMLEPGESREIVFRLGEADLKFYDSQLRHTAEPGEFKVFVGLDSAQTESRSFTLL 7ec9 A 1.8 BS01 NOJ A 1 H86 N138 E139 H207 W212 E259 W292 H80 N132 E133 H201 W206 E253 W286 ? 0000272,0004553,0005576,0008422,0009251,0009986,0016798 Q9X274 36084911 401 RWRGFNLLEAFSIKSTGNFKEEDFLWMAQWDFNFVRIPMCHLLWSDRGNPFIIREDFFEKIDRVIFWGEKYGIHICISLHRAPGYSVNKEVEEKTNLWKDETAQEAFIHHWSFIARRYKGISSTHLSFNLINEPPFPDPQIMSVEDHNSLIKRTITEIRKIDPERLIIIDGLGYGNIPVDDLTIENTVQSCRGYIPFSVTHYKAEWVDSKDFPVPEWPNGWHFGEYWNREKLLEHYLTWIKLRQKGIEVFCGEMGAYNKTPHDVVLKWLEDLLEIFKTLNIGFALWNFRGPFGILDSERKDVEYEEWYGHKLDRKMLELLRKY 7ec9 B 1.8 BS01 NOJ B 1 H86 N138 E139 H207 W212 E259 W292 H80 N132 E133 H201 W206 E253 W286 ? 0000272,0004553,0005576,0008422,0009251,0009986,0016798 Q9X274 36084911 401 RWRGFNLLEAFSIKSTGNFKEEDFLWMAQWDFNFVRIPMCHLLWSDRGNPFIIREDFFEKIDRVIFWGEKYGIHICISLHRAPGYSVNKEVEEKTNLWKDETAQEAFIHHWSFIARRYKGISSTHLSFNLINEPPFPDPQIMSVEDHNSLIKRTITEIRKIDPERLIIIDGLGYGNIPVDDLTIENTVQSCRGYIPFSVTHYKAEWVDSKDFPVPEWPNGWHFGEYWNREKLLEHYLTWIKLRQKGIEVFCGEMGAYNKTPHDVVLKWLEDLLEIFKTLNIGFALWNFRGPFGILDSERKDVEYEEWYGHKLDRKMLELLRKY 7vkz A 2.0 BS01 NOJ A 1 Y52 A101 E102 N175 E176 R349 Y378 Y47 A96 E97 N170 E171 R344 Y373 ? 0004553,0004565,0005773,0005975,0016798,0046872 I0AIT9 35065074 801 SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAGFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSEEISIAPFSYKVIKENK 7vkz A 2.0 BS02 NOJ A 2 L100 E176 G278 W279 I280 R349 L95 E171 G273 W274 I275 R344 ? 0004553,0004565,0005773,0005975,0016798,0046872 I0AIT9 35065074 802 SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAGFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSEEISIAPFSYKVIKENK