4lq3 A 2.6 BS02 20V A 1 V324 N326 D354 V317 N319 D347 3.6.1.15 0000166,0001172,0003723,0003968,0004386,0005524,0006351,0039694,0046872 -logKd/Ki=6.35, IC50=0.45uM Q2N379 24316032 601 GTYCGAPILGPGSAPKLSTKTKFWRSSTTPLPPGTYEPAYLGGKDPRVKGGPSLQQVMRDQLKPFTEPRGKPPKPSVLEAAKKTIINVLEQTIDPPEKWSFTQACASLDKTTSSGHPHHMRKNDCWNGESFTGKLADQASKANLMFEGGKNMTPVYTGALKDELVKTDKIYGKIKKRLLWGSDLATMIRCARAFGGLMDELKAHCVTLPIRVGMNMNEDGPIIFERHSRYKYHYDADYSRWDSTQQRAVLAAALEIMVKFSSEPHLAQVVAEDLLSPSVVDVGDFKISINEPSGVPCTSQWNSIAHWLLTLCALSEVTNLSPDIIQANSLFSFYGDDEIVSTDIKLDPEKLTAKLKEYGLKPTRPDGPLVISEDLNGLTFLRRTVTRDPAGWFGKLEQSSILRQMYWTRGPNHEDPSETMSQRPIQLMSLLGEAALHGPAFYSKISKLVIAELKEGMDYVPRQEPMFRWMRFSDLSTWEGDRNLAPSFVNEDGVE 4lq3 A 2.6 BS03 20V A 2 K166 E168 R392 L406 S410 I411 Q414 R419 D507 E510 K161 E163 R382 L396 S400 I401 Q404 R409 D492 E495 3.6.1.15 0000166,0001172,0003723,0003968,0004386,0005524,0006351,0039694,0046872 -logKd/Ki=6.35, IC50=0.45uM Q2N379 24316032 603 GTYCGAPILGPGSAPKLSTKTKFWRSSTTPLPPGTYEPAYLGGKDPRVKGGPSLQQVMRDQLKPFTEPRGKPPKPSVLEAAKKTIINVLEQTIDPPEKWSFTQACASLDKTTSSGHPHHMRKNDCWNGESFTGKLADQASKANLMFEGGKNMTPVYTGALKDELVKTDKIYGKIKKRLLWGSDLATMIRCARAFGGLMDELKAHCVTLPIRVGMNMNEDGPIIFERHSRYKYHYDADYSRWDSTQQRAVLAAALEIMVKFSSEPHLAQVVAEDLLSPSVVDVGDFKISINEPSGVPCTSQWNSIAHWLLTLCALSEVTNLSPDIIQANSLFSFYGDDEIVSTDIKLDPEKLTAKLKEYGLKPTRPDGPLVISEDLNGLTFLRRTVTRDPAGWFGKLEQSSILRQMYWTRGPNHEDPSETMSQRPIQLMSLLGEAALHGPAFYSKISKLVIAELKEGMDYVPRQEPMFRWMRFSDLSTWEGDRNLAPSFVNEDGVE 4lq3 A 2.6 BS04 20V A 3 I463 A464 K467 I450 A451 K454 3.6.1.15 0000166,0001172,0003723,0003968,0004386,0005524,0006351,0039694,0046872 -logKd/Ki=6.35, IC50=0.45uM Q2N379 24316032 604 GTYCGAPILGPGSAPKLSTKTKFWRSSTTPLPPGTYEPAYLGGKDPRVKGGPSLQQVMRDQLKPFTEPRGKPPKPSVLEAAKKTIINVLEQTIDPPEKWSFTQACASLDKTTSSGHPHHMRKNDCWNGESFTGKLADQASKANLMFEGGKNMTPVYTGALKDELVKTDKIYGKIKKRLLWGSDLATMIRCARAFGGLMDELKAHCVTLPIRVGMNMNEDGPIIFERHSRYKYHYDADYSRWDSTQQRAVLAAALEIMVKFSSEPHLAQVVAEDLLSPSVVDVGDFKISINEPSGVPCTSQWNSIAHWLLTLCALSEVTNLSPDIIQANSLFSFYGDDEIVSTDIKLDPEKLTAKLKEYGLKPTRPDGPLVISEDLNGLTFLRRTVTRDPAGWFGKLEQSSILRQMYWTRGPNHEDPSETMSQRPIQLMSLLGEAALHGPAFYSKISKLVIAELKEGMDYVPRQEPMFRWMRFSDLSTWEGDRNLAPSFVNEDGVE 4o4r A 2.4 BS01 20V A 1 M219 L391 R392 R393 Q414 K419 M216 L384 R385 R386 Q407 K412 2.7.7.48,3.4.22.66,3.6.1.15 0003723,0003968,0004386,0005524,0006351,0039694 ic50=0.88uM -logKd/Ki=6.06, IC50=0.88uM Q80J95 24657439 601 RPSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKDERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQKPWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYEMGKSMRPIYTAALKDELVKPDKIYGKIKKRLLWGSDLGTMIRAARAFGPFCDALKETCIFNPIRVGMSMNEDGPFIFARHANFRYHMDADYTRWDSTQQRAILKRAGDIMVRLSPEPDLARVVMDDLLAPSLLDVGDYKIVVEEGLPSGCPCTTQLNSLAHWILTLCAMVEVTRVDPDIVMQESEFSFYGDDEVVSTNLELDMVKYTMALRRYGLLPTRADPLERRQTLQGISFLRRAIVGDQFGWYGRLDRASIDRQLLWTKGPNHQNPFETLPGHAQRPSQLMALLGEAAMHGEKYYRTVASRVSKEAAQVVPRHRSVLRWVRFG 4o4r A 2.4 BS02 20V A 2 F29 L169 Y341 R392 S410 R413 Q414 F26 L166 Y338 R385 S403 R406 Q407 2.7.7.48,3.4.22.66,3.6.1.15 0003723,0003968,0004386,0005524,0006351,0039694 ic50=0.88uM -logKd/Ki=6.06, IC50=0.88uM Q80J95 24657439 602 RPSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKDERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQKPWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYEMGKSMRPIYTAALKDELVKPDKIYGKIKKRLLWGSDLGTMIRAARAFGPFCDALKETCIFNPIRVGMSMNEDGPFIFARHANFRYHMDADYTRWDSTQQRAILKRAGDIMVRLSPEPDLARVVMDDLLAPSLLDVGDYKIVVEEGLPSGCPCTTQLNSLAHWILTLCAMVEVTRVDPDIVMQESEFSFYGDDEVVSTNLELDMVKYTMALRRYGLLPTRADPLERRQTLQGISFLRRAIVGDQFGWYGRLDRASIDRQLLWTKGPNHQNPFETLPGHAQRPSQLMALLGEAAMHGEKYYRTVASRVSKEAAQVVPRHRSVLRWVRFG 4o4r B 2.4 BS01 20V B 1 M219 Y341 L391 R392 R393 Q414 K419 M218 Y340 L389 R390 R391 Q412 K417 2.7.7.48,3.4.22.66,3.6.1.15 0003723,0003968,0004386,0005524,0006351,0039694 ic50=0.88uM Q80J95 24657439 601 LPRPSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKDERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQKPWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYEMGKSMRPIYTAALKDELVKPDKIYGKIKKRLLWGSDLGTMIRAARAFGPFCDALKETCIFNPIRVGMSMNEDGPFIFARHANFRYHMDADYTRWDSTQQRAILKRAGDIMVRLSPEPDLARVVMDDLLAPSLLDVGDYKIVVEEGLPSGCPCTTQLNSLAHWILTLCAMVEVTRVDPDIVMQESEFSFYGDDEVVSTNLELDMVKYTMALRRYGLLPTRADKEGPLERRQTLQGISFLRRAIVGDQFGWYGRLDRASIDRQLLWTKGPNHQNPFETLPGRPSQLMALLGEAAMHGEKYYRTVASRVSKEAAQSGVVPRHRSVLRWVRFG 4o4r B 2.4 BS02 20V B 2 F29 L169 Y341 R392 S410 R413 Q414 K419 F28 L168 Y340 R390 S408 R411 Q412 K417 2.7.7.48,3.4.22.66,3.6.1.15 0003723,0003968,0004386,0005524,0006351,0039694 ic50=0.88uM Q80J95 24657439 602 LPRPSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKDERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQKPWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYEMGKSMRPIYTAALKDELVKPDKIYGKIKKRLLWGSDLGTMIRAARAFGPFCDALKETCIFNPIRVGMSMNEDGPFIFARHANFRYHMDADYTRWDSTQQRAILKRAGDIMVRLSPEPDLARVVMDDLLAPSLLDVGDYKIVVEEGLPSGCPCTTQLNSLAHWILTLCAMVEVTRVDPDIVMQESEFSFYGDDEVVSTNLELDMVKYTMALRRYGLLPTRADKEGPLERRQTLQGISFLRRAIVGDQFGWYGRLDRASIDRQLLWTKGPNHQNPFETLPGRPSQLMALLGEAAMHGEKYYRTVASRVSKEAAQSGVVPRHRSVLRWVRFG 4o4r C 2.4 BS01 20V C 1 M219 Y341 L391 R392 R393 Q414 K419 M215 Y337 L382 R383 R384 Q405 K410 2.7.7.48,3.4.22.66,3.6.1.15 0003723,0003968,0004386,0005524,0006351,0039694 ic50=0.88uM Q80J95 24657439 601 PSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKDERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQKPWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYEMGKSMRPIYTAALKDELVKPDKIYGKIKKRLLWGSDLGTMIRAARAFGPFCDALKETCIFNPIRVGMSMNEDGPFIFARHANFRYHMDADYTRWDSTQQRAILKRAGDIMVRLSPEPDLARVVMDDLLAPSLLDVGDYKIVVEEGLPSGCPCTTQLNSLAHWILTLCAMVEVTRVDPDIVMQESEFSFYGDDEVVSTNLELDMVKYTMALRRYGLLPTRGPLERRQTLQGISFLRRAIVGDQFGWYGRLDRASIDRQLLWTKGPNHQNPFETLPGHAQRPSQLMALLGEAAMHGEKYYRTVASRVSKEAAQVVPRHRSVLRWVRFG 4o4r C 2.4 BS02 20V C 2 F29 L169 Y341 R392 S410 R413 Q414 F25 L165 Y337 R383 S401 R404 Q405 2.7.7.48,3.4.22.66,3.6.1.15 0003723,0003968,0004386,0005524,0006351,0039694 ic50=0.88uM Q80J95 24657439 602 PSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKDERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQKPWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYEMGKSMRPIYTAALKDELVKPDKIYGKIKKRLLWGSDLGTMIRAARAFGPFCDALKETCIFNPIRVGMSMNEDGPFIFARHANFRYHMDADYTRWDSTQQRAILKRAGDIMVRLSPEPDLARVVMDDLLAPSLLDVGDYKIVVEEGLPSGCPCTTQLNSLAHWILTLCAMVEVTRVDPDIVMQESEFSFYGDDEVVSTNLELDMVKYTMALRRYGLLPTRGPLERRQTLQGISFLRRAIVGDQFGWYGRLDRASIDRQLLWTKGPNHQNPFETLPGHAQRPSQLMALLGEAAMHGEKYYRTVASRVSKEAAQVVPRHRSVLRWVRFG 8jv8 A 3.34 BS01 20V A 1 S286 Y288 R294 K311 S256 Y258 R264 K281 ? 0001614,0004931,0005216,0005524,0005886,0006811,0016020,0033198,0098655 G1M6C4 38578670 403 WIFHALVFSYISFALISDKRYQKKEPLISSVHTKVKGIAEVKAEILENGMKKMVSGVFDTADYTFPLQGNSFFVMTNFIKTEGQQQGLCPDFPTARTICSSDRGCKKGRMDPQSKGIQTGRCVVYKERLKTCEVSAWCPIEEVKDAPRPALLNSAENFTVLIKNNIDFPGHNYTTRNILPGVNITCTFHKTQNPQCPIFRLGDIFQETGDSFSDVAIQGGIMGIEIYWDCNLDGWFHHCRPKYSFRRLDDKTTSESLYPGYNFRYAKYYKENNVEKRTLIKVFGIRFDILVFGTGGKFNVIQLAVYIGSVISYFGLATVF 8jv8 A 3.34 BS02 20V C 1 K66 I214 T215 K36 I184 T185 ? 0001614,0004931,0005216,0005524,0005886,0006811,0016020,0033198,0098655 G1M6C4 38578670 403 WIFHALVFSYISFALISDKRYQKKEPLISSVHTKVKGIAEVKAEILENGMKKMVSGVFDTADYTFPLQGNSFFVMTNFIKTEGQQQGLCPDFPTARTICSSDRGCKKGRMDPQSKGIQTGRCVVYKERLKTCEVSAWCPIEEVKDAPRPALLNSAENFTVLIKNNIDFPGHNYTTRNILPGVNITCTFHKTQNPQCPIFRLGDIFQETGDSFSDVAIQGGIMGIEIYWDCNLDGWFHHCRPKYSFRRLDDKTTSESLYPGYNFRYAKYYKENNVEKRTLIKVFGIRFDILVFGTGGKFNVIQLAVYIGSVISYFGLATVF 8jv8 B 3.34 BS01 20V A 1 K66 I214 K36 I184 ? 0001614,0004931,0005216,0005524,0005886,0006811,0016020,0033198,0098655 G1M6C4 38578670 403 WIFHALVFSYISFALISDKRYQKKEPLISSVHTKVKGIAEVKAEILENGMKKMVSGVFDTADYTFPLQGNSFFVMTNFIKTEGQQQGLCPDFPTARTICSSDRGCKKGRMDPQSKGIQTGRCVVYKERLKTCEVSAWCPIEEVKDAPRPALLNSAENFTVLIKNNIDFPGHNYTTRNILPGVNITCTFHKTQNPQCPIFRLGDIFQETGDSFSDVAIQGGIMGIEIYWDCNLDGWFHHCRPKYSFRRLDDKTTSESLYPGYNFRYAKYYKENNVEKRTLIKVFGIRFDILVFGTGGKFNVIQLAVYIGSVISYFGLATVF 8jv8 B 3.34 BS02 20V B 1 S286 Y288 R294 K311 S256 Y258 R264 K281 ? 0001614,0004931,0005216,0005524,0005886,0006811,0016020,0033198,0098655 G1M6C4 38578670 403 WIFHALVFSYISFALISDKRYQKKEPLISSVHTKVKGIAEVKAEILENGMKKMVSGVFDTADYTFPLQGNSFFVMTNFIKTEGQQQGLCPDFPTARTICSSDRGCKKGRMDPQSKGIQTGRCVVYKERLKTCEVSAWCPIEEVKDAPRPALLNSAENFTVLIKNNIDFPGHNYTTRNILPGVNITCTFHKTQNPQCPIFRLGDIFQETGDSFSDVAIQGGIMGIEIYWDCNLDGWFHHCRPKYSFRRLDDKTTSESLYPGYNFRYAKYYKENNVEKRTLIKVFGIRFDILVFGTGGKFNVIQLAVYIGSVISYFGLATVF 8jv8 C 3.34 BS01 20V B 1 K66 I214 T215 K36 I184 T185 ? 0001614,0004931,0005216,0005524,0005886,0006811,0016020,0033198,0098655 G1M6C4 38578670 403 WIFHALVFSYISFALISDKRYQKKEPLISSVHTKVKGIAEVKAEILENGMKKMVSGVFDTADYTFPLQGNSFFVMTNFIKTEGQQQGLCPDFPTARTICSSDRGCKKGRMDPQSKGIQTGRCVVYKERLKTCEVSAWCPIEEVKDAPRPALLNSAENFTVLIKNNIDFPGHNYTTRNILPGVNITCTFHKTQNPQCPIFRLGDIFQETGDSFSDVAIQGGIMGIEIYWDCNLDGWFHHCRPKYSFRRLDDKTTSESLYPGYNFRYAKYYKENNVEKRTLIKVFGIRFDILVFGTGGKFNVIQLAVYIGSVISYFGLATVF 8jv8 C 3.34 BS02 20V C 1 S286 Y288 R294 K311 S256 Y258 R264 K281 ? 0001614,0004931,0005216,0005524,0005886,0006811,0016020,0033198,0098655 G1M6C4 38578670 403 WIFHALVFSYISFALISDKRYQKKEPLISSVHTKVKGIAEVKAEILENGMKKMVSGVFDTADYTFPLQGNSFFVMTNFIKTEGQQQGLCPDFPTARTICSSDRGCKKGRMDPQSKGIQTGRCVVYKERLKTCEVSAWCPIEEVKDAPRPALLNSAENFTVLIKNNIDFPGHNYTTRNILPGVNITCTFHKTQNPQCPIFRLGDIFQETGDSFSDVAIQGGIMGIEIYWDCNLDGWFHHCRPKYSFRRLDDKTTSESLYPGYNFRYAKYYKENNVEKRTLIKVFGIRFDILVFGTGGKFNVIQLAVYIGSVISYFGLATVF