3s7b A 2.42 BS01 SAM A 1 K17 R19 E135 H137 C181 N182 A203 N206 H207 Y240 Y258 F260 K13 R15 E131 H133 C177 N178 A199 N202 H203 Y236 Y254 F256 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 21782458 1000 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 3s7b A 2.42 BS02 BU3 A 1 P314 Y352 P310 Y348 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 21782458 434 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 3s7b A 2.42 BS03 BU3 A 2 W356 R390 W352 R386 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 21782458 435 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 3s7b A 2.42 BS04 BU3 A 3 Y41 Y54 C55 Y37 Y50 C51 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 21782458 436 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 3s7b A 2.42 BS05 BU3 A 4 R67 W83 R63 W79 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 21782458 437 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 3s7b A 2.42 BS06 NH5 A 1 K145 I149 N180 N182 G183 F184 T185 A203 T238 Y240 S257 Y258 K141 I145 N176 N178 G179 F180 T181 A199 T234 Y236 S253 Y254 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Kd=0.5uM -logKd/Ki=6.30, Kd=0.5uM IC50=120nM, Kd=500nM, Ki=300nM Q9NRG4 21782458 439 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 3s7b A 2.42 BS07 ZN A 1 C52 C55 C74 C78 C48 C51 C70 C74 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 21782458 440 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 3s7b A 2.42 BS08 ZN A 2 C65 C68 H86 C90 C61 C64 H82 C86 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 21782458 441 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 3s7b A 2.42 BS09 ZN A 3 C209 C262 C264 C267 C205 C258 C260 C263 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 21782458 442 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH