4m52 A 2.4 BS01 FAD A 1 L9 G10 G12 P13 V32 E33 P34 Y36 V40 C41 G45 C46 K50 Y112 G113 A141 T142 Y161 I182 F269 Y276 G308 D309 Q315 L316 A317 L10 G11 G13 P14 V33 E34 P35 Y37 V41 C42 G46 C47 K51 Y113 G114 A142 T143 Y162 I183 F270 Y277 G309 D310 Q316 L317 A318 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 P9WHH9 24251446 501 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 A 2.4 BS02 M52 A 1 P13 Y16 R93 F99 E321 P14 Y17 R94 F100 E322 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 Ki=140nM IC50=960nM P9WHH9 24251446 502 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 A 2.4 BS03 M52 D 1 A381 H443 N463 A382 H444 N464 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 Ki=140nM IC50=960nM P9WHH9 24251446 502 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 B 2.4 BS01 FAD B 1 L9 G10 G12 P13 E33 P34 Y36 G39 V40 C41 G45 C46 K50 Y112 G113 A141 T142 Y161 I182 Y276 G308 D309 Q315 L316 A317 L10 G11 G13 P14 E34 P35 Y37 G40 V41 C42 G46 C47 K51 Y113 G114 A142 T143 Y162 I183 Y277 G309 D310 Q316 L317 A318 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 P9WHH9 24251446 501 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 B 2.4 BS02 M52 B 1 P13 Y16 R93 G96 F99 E321 P14 Y17 R94 G97 F100 E322 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 Ki=140nM IC50=960nM P9WHH9 24251446 502 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 B 2.4 BS03 M52 C 1 A381 H443 N463 A382 H444 N464 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 Ki=140nM IC50=960nM P9WHH9 24251446 502 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 C 2.4 BS01 M52 B 1 A381 H443 E448 N463 F464 A382 H444 E449 N464 F465 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 Ki=140nM IC50=960nM P9WHH9 24251446 502 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 C 2.4 BS02 FAD C 1 L9 G10 G12 P13 E33 P34 Y36 V40 C41 G45 C46 K50 Y112 G113 A141 T142 G143 Y161 I182 Y276 G308 D309 Q315 L316 A317 L10 G11 G13 P14 E34 P35 Y37 V41 C42 G46 C47 K51 Y113 G114 A142 T143 G144 Y162 I183 Y277 G309 D310 Q316 L317 A318 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 P9WHH9 24251446 501 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 C 2.4 BS03 M52 C 1 P13 Y16 R93 F99 E321 P14 Y17 R94 F100 E322 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 Ki=140nM IC50=960nM P9WHH9 24251446 502 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 D 2.4 BS01 M52 A 1 A381 H443 N463 F464 A382 H444 N464 F465 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 Ki=140nM IC50=960nM P9WHH9 24251446 502 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 D 2.4 BS02 FAD D 1 L9 G10 G12 P13 V32 E33 P34 K35 Y36 G39 V40 C41 G45 C46 Y112 G113 A141 T142 G143 Y161 I182 Y276 G308 D309 L316 A317 L10 G11 G13 P14 V33 E34 P35 K36 Y37 G40 V41 C42 G46 C47 Y113 G114 A142 T143 G144 Y162 I183 Y277 G309 D310 L317 A318 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 P9WHH9 24251446 501 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF 4m52 D 2.4 BS03 M52 D 1 P13 Y16 R93 E321 P14 Y17 R94 E322 W37 C41 C46 S49 A181 E185 H441 H443 E448 W38 C42 C47 S50 A182 E186 H442 H444 E449 1.8.1.4 0004148,0004591,0005515,0005576,0005737,0005829,0005886,0015036,0016209,0016491,0016655,0016668,0035375,0045254,0045454,0050660,0070404,0098869 Ki=140nM IC50=960nM P9WHH9 24251446 502 SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF