3veh A 2.0 BS01 0GA A 1 P251 L268 T271 H334 T361 Y385 L404 A418 G419 K438 P237 L254 T257 H320 T347 Y371 L390 A404 G405 K424 K205 E252 A269 E297 H334 T361 Y385 R405 G421 E434 K438 K191 E238 A255 E283 H320 T347 Y371 R391 G407 E420 K424 4.2.99.21,5.4.4.2,5.4.99.5 0000162,0000287,0004106,0005886,0008909,0009058,0009697,0010106,0016829,0016833,0016853,0019540,0043904,0046872,0052572 Ki=11uM -logKd/Ki=4.96, Ki=11uM P9WFX1 22607697 501 SSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVAR 3veh B 2.0 BS01 0GA B 1 L268 T271 H334 T361 Y385 L404 A418 G419 K438 L270 T273 H336 T363 Y387 L406 A420 G421 K440 K205 E252 A269 E297 H334 T361 Y385 R405 G421 E434 K438 K207 E254 A271 E299 H336 T363 Y387 R407 G423 E436 K440 4.2.99.21,5.4.4.2,5.4.99.5 0000162,0000287,0004106,0005886,0008909,0009058,0009697,0010106,0016829,0016833,0016853,0019540,0043904,0046872,0052572 Ki=11uM P9WFX1 22607697 501 GSMSELSVATGAVSTASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVAR 3veh C 2.0 BS01 0GA C 1 L268 T271 H334 T361 Y385 L404 A418 G419 K438 L254 T257 H320 T347 Y371 L390 A404 G405 K424 K205 E252 A269 E297 H334 T361 Y385 R405 G421 E434 K438 K191 E238 A255 E283 H320 T347 Y371 R391 G407 E420 K424 4.2.99.21,5.4.4.2,5.4.99.5 0000162,0000287,0004106,0005886,0008909,0009058,0009697,0010106,0016829,0016833,0016853,0019540,0043904,0046872,0052572 Ki=11uM P9WFX1 22607697 501 SSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVAR 3veh D 2.0 BS01 0GA D 1 T271 H334 T361 Y385 L404 A418 G419 K438 T262 H324 T351 Y375 L394 A408 G409 K428 K205 E252 A269 E297 H334 T361 Y385 R405 G421 E434 K438 K196 E243 A260 E287 H324 T351 Y375 R395 G411 E424 K428 4.2.99.21,5.4.4.2,5.4.99.5 0000162,0000287,0004106,0005886,0008909,0009058,0009697,0010106,0016829,0016833,0016853,0019540,0043904,0046872,0052572 Ki=11uM P9WFX1 22607697 501 AVSTASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPADRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVAR 5cwa A 2.1 BS01 0GA A 1 Y439 I458 A472 G473 K492 Y433 I452 A466 G467 K486 Q254 E307 A323 E351 H388 T415 Y439 R459 G475 E488 K492 Q248 E301 A317 E345 H382 T409 Y433 R453 G469 E482 K486 4.1.3.27 0000162,0004049,0009058,0016829,0046872 ic50=17uM -logKd/Ki=4.77, IC50=17uM P9WFX2 26527146 604 ADLAATTSREDFRLLAAEHRVVPVTRKVLADSETPLSAYRKLAANRPGTFLLESAENGRSWSRWSFIGAGAPTALTVREGQAVWLGAVPKDAPTGGDPLRALQVTLELLATADPGLPPLSGGMVGFFAYDMVRRLERLPERAVDDLCLPDMLLLLATDVAAVDHHEGTITLIANAVNWNGTDERVDWAYDDAVARLDVMTAALGQPLPSTVATFSRPEPRHRAQRTVEEYGAIVEYLVDQIAAGEAFQVVPSQRFEMDTDVDPIDVYRILRVTNPSPYMYLLQVPNSDGAVDFSIVGSSPEALVTVHEGWATTHPIAGTRWRGRTDDEDVLLEKELLADDKERAEHLMLVDLGRNDLGRVCTPGTVRVEDYSHIERYSHVMHLVSTVTGKLGEGRTALDAVTACFPAGTLSGAPKVRAMELIEEVEKTRRGLYGGVVGYLDFAGNADFAIAIRTALMRNGTAYVQAGGGVVADSNGSYEYNEARNKARAVLNAIAAAETLAAPGA 8qn5 A 1.544 BS01 0GA A 1 P251 T361 Y385 L404 A418 G419 K438 P236 T332 Y356 L375 A389 G390 K409 4.2.99.21,5.4.4.2,5.4.99.5 0000162,0000287,0004106,0005886,0008909,0009058,0009697,0010106,0016829,0016833,0016853,0019540,0043904,0046872,0052572 P9WFX1 38004425 801 SSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVARQ 8qn5 B 1.544 BS01 0GA B 1 T271 T361 Y385 L404 A418 G419 K438 T257 T347 Y371 L390 A404 G405 K424 4.2.99.21,5.4.4.2,5.4.99.5 0000162,0000287,0004106,0005886,0008909,0009058,0009697,0010106,0016829,0016833,0016853,0019540,0043904,0046872,0052572 P9WFX1 38004425 801 SSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVARQ 8qn5 C 1.544 BS01 0GA C 1 T361 Y385 L404 A418 G419 K438 T334 Y358 L377 A391 G392 K411 4.2.99.21,5.4.4.2,5.4.99.5 0000162,0000287,0004106,0005886,0008909,0009058,0009697,0010106,0016829,0016833,0016853,0019540,0043904,0046872,0052572 P9WFX1 38004425 801 ASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRAARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVAR 8qn5 D 1.544 BS01 0GA D 1 T361 Y385 L404 A418 G419 K438 T335 Y359 L378 A392 G393 K412 4.2.99.21,5.4.4.2,5.4.99.5 0000162,0000287,0004106,0005886,0008909,0009058,0009697,0010106,0016829,0016833,0016853,0019540,0043904,0046872,0052572 P9WFX1 38004425 801 ASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVREVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVARQ