1jcm P 2.1 BS02 137 P 1 I8 E53 K55 S58 P59 S60 F93 K114 L188 L191 S215 L234 I235 G236 S237 I8 E53 K55 S58 P59 S60 F93 K114 L188 L191 S215 L234 I235 G236 S237 4.1.1.48,5.3.1.24 0004425,0006568 P00909 11856350 400 MQCVLAKIVADKAIWVEARKQQQPLASFQNEVQPSTRHFYDALQGARTAFILECKKASPSKGVIRDDFDPARIAAIYKHYASAISVLTDEKYFQGSFNFLPIVSQIAPQPILCKDFIIDPYQIYLARYYQADACLLMLSVLDDDQYRQLAAVAHSLEMGVLTEVSNEEEQERAIALGAKVVGINNRDLCDLSIDLNRTRELAPKLGHNVTVISESGINTYAQVRELSHFANGFLIGSALMAHDDLHAAVRRVLLGENKV 1lbf A 2.05 BS01 137 A 1 W8 E51 K53 S56 P57 S58 F89 K110 R182 L184 L187 S211 G212 L231 G233 S234 W7 E50 K52 S55 P56 S57 F88 K109 R181 L183 L186 S210 G211 L230 G232 S233 E51 K53 K110 E159 N180 E210 S211 E50 K52 K109 E158 N179 E209 S210 4.1.1.48 0000162,0004425,0004640,0006568,0016830,0016831 Kd=0.014uM -logKd/Ki=7.85, Kd=0.014uM Q06121 12054868 300 PRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAEYKRKSPSGLDVERDPIEYSKFMERYAVGLSILTEEKYFNGSYETLRKIASSVSIPILMKDFIVKESQIDDAYNLGADTVLLIVKILTERELESLLEYARSYGMEPLIEINDENDLDIALRIGARFIGINSRDLETLEINKENQRKLISMIPSNVVKVAESGISERNEIEELRKLGVNAFLIGSSLMRNPEKIKEFIL 1lbl A 2.4 BS01 137 A 1 W8 E51 K53 S56 P57 S58 K110 R182 L184 L187 E210 S211 L231 G233 S234 W7 E50 K52 S55 P56 S57 K109 R181 L183 L186 E209 S210 L230 G232 S233 E51 K53 K110 E159 N180 E210 S211 E50 K52 K109 E158 N179 E209 S210 4.1.1.48 0000162,0004425,0004640,0006568,0016830,0016831 Kd=0.014uM Q06121 12054868 300 PRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAEYKRKSPSGLDVERDPIEYSKFMERYAVGLSILTEEKYFNGSYETLRKIASSVSIPILMKDFIVKESQIDDAYNLGADTVLLIVKILTERELESLLEYARSYGMEPLIEINDENDLDIALRIGARFIGINSRDLETLEINKENQRKLISMIPSNVVKVAESGISERNEIEELRKLGVNAFLIGSSLMRNPEKIKEFIL 1lbm A 2.8 BS01 137 A 1 C7 S34 R36 H83 D126 G158 G159 D178 S180 S181 C7 S34 R36 H83 D126 G147 G148 D167 S169 S170 C7 D126 C7 D126 5.3.1.24 0000162,0004640,0006568,0016853 Q56320 12356303 400 MVRVKICGITNLEDALFSVESGADAVGFVFYPKSKRYISPEDARRISVELPPFVFRVGVFVNEEPEKILDVASYVQLNAVQLHGEEPIELCRKIAERILVIKAVGVSNERDMERALNYREFPILLDTFDWSLILPYRDRFRYLVLSGGLNPENVRSAIDVVRPFAVDVSSGVEAFPGKKDHDSIKMFIKNAKGL 2y85 A 2.4 BS01 137 A 1 D11 H50 V52 L54 A57 S81 R143 D175 G176 S200 G201 G202 G226 K227 D10 H40 V42 L44 A47 S71 R133 D165 G166 S190 G191 G192 G216 K217 D11 D130 D10 D120 5.3.1.16,5.3.1.24 0000105,0000162,0003949,0004640,0005737,0016853 P9WMM5 21321225 1247 MPLILLPAVDVVEGRAVRTEYGSAVDAALGWQRDGAEWIHLVDLDAAFGRGSNHELLAEVVGKLDVQVELSGGIRDDESLAAALATGCARVNVGTAALENPQWCARVIGEHGDQVAVGLDVQIIDGEHRLRGRGWETDGGDLWDVLERLDSEGCSRFVVTDITKDGTLGGPNLDLLAGVADRTDAPVIASGGVSSLDDLRAIATLTHRGVEGAIVGKALYARRFTLPQALAAVR 2y85 B 2.4 BS01 137 B 1 D11 H50 V52 L54 S81 R143 D175 G176 S200 G201 V225 G226 K227 D10 H42 V44 L46 S73 R135 D167 G168 S192 G193 V217 G218 K219 D11 D130 D10 D122 5.3.1.16,5.3.1.24 0000105,0000162,0003949,0004640,0005737,0016853 P9WMM5 21321225 1247 MPLILLPAVDVVEGRAVRLVTEYGSAVDAALGWQRDGAEWIHLVDLDAAFGRGSNHELLAEVVGKLDVQVELSGGIRDDESLAAALATGCARVNVGTAALENPQWCARVIGEHGDQVAVGLDVQIIDGEHRLRGRGWETDGGDLWDVLERLDSEGCSRFVVTDITKDGTLGGPNLDLLAGVADRTDAPVIASGGVSSLDDLRAIATLTHRGVEGAIVGKALYARRFTLPQALAAVR 2y85 C 2.4 BS01 137 C 1 D11 V52 L54 A57 S81 R143 D175 G176 S200 G201 G202 I224 G226 K227 D10 V41 L43 A46 S70 R132 D164 G165 S189 G190 G191 I213 G215 K216 D11 D130 D10 D119 5.3.1.16,5.3.1.24 0000105,0000162,0003949,0004640,0005737,0016853 P9WMM5 21321225 1247 MPLILLPAVDVVEGRAVREYGSAVDAALGWQRDGAEWIHLVDLDAAFGRGSNHELLAEVVGKLDVQVELSGGIRDDESLAAALATGCARVNVGTAALENPQWCARVIGEHGDQVAVGLDVQIIDGEHRLRGRGWETDGGDLWDVLERLDSEGCSRFVVTDITKDGTLGGPNLDLLAGVADRTDAPVIASGGVSSLDDLRAIATLTHRGVEGAIVGKALYARRFTLPQALAAVR 2y85 D 2.4 BS01 137 D 1 D11 H50 V52 L54 A57 S81 R143 G176 S200 G201 G226 K227 D10 H40 V42 L44 A47 S71 R133 G166 S190 G191 G216 K217 D11 D130 D10 D120 5.3.1.16,5.3.1.24 0000105,0000162,0003949,0004640,0005737,0016853 P9WMM5 21321225 1247 MPLILLPAVDVVEGRAVRLEYGSAVDAALGWQRDGAEWIHLVDLDAAFGRGSNHELLAEVVGKLDVQVELSGGIRDDESLAAALATGCARVNVGTAALENPQWCARVIGEHGDQVAVGLDVQIIDGEHRLRGRGWETDGGDLWDVLERLDSEGCSRFVVTDITKDGTLGGPNLDLLAGVADRTDAPVIASGGVSSLDDLRAIATLTHRGVEGAIVGKALYARRFTLPQALAAVR 6y88 A 2.09983 BS01 137 A 1 E61 K63 S66 P67 S68 F102 K123 L198 E224 S225 L245 V246 G247 E248 E59 K61 S64 P65 S66 F100 K121 L196 E222 S223 L243 V244 G245 E246 E61 K63 K123 E172 N194 E224 S225 E59 K61 K121 E170 N192 E222 S223 4.1.1.48 0000162,0004425,0004640,0006568,0016830,0016831 P20577 32928960 301 VPTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKRKEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQGADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDVLMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEVSLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRADDPGLELKRLFFQ 6y88 B 2.09983 BS01 137 B 1 E61 K63 S66 P67 S68 F102 K123 R196 L198 S225 L245 V246 G247 E248 E60 K62 S65 P66 S67 F101 K122 R195 L197 S224 L244 V245 G246 E247 E61 K63 K123 E172 N194 E224 S225 E60 K62 K122 E171 N193 E223 S224 4.1.1.48 0000162,0004425,0004640,0006568,0016830,0016831 P20577 32928960 301 SVPTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKRKEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQGADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDVLMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEVSLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRADDPGLELKRLFFQ 6y88 C 2.09983 BS01 137 C 1 E61 K63 S66 P67 S68 F102 K123 L198 E224 S225 L245 V246 G247 E248 E60 K62 S65 P66 S67 F101 K122 L197 E223 S224 L244 V245 G246 E247 E61 K63 K123 E172 N194 E224 S225 E60 K62 K122 E171 N193 E223 S224 4.1.1.48 0000162,0004425,0004640,0006568,0016830,0016831 P20577 32928960 301 SVPTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKRKEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQGADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDVLMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEVSLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRADDPGLELKRLFF 6y88 D 2.09983 BS01 137 D 1 E61 K63 P67 S68 F102 K123 L198 E224 S225 L245 G247 E248 E58 K60 P64 S65 F99 K120 L195 E221 S222 L242 G244 E245 E61 K63 K123 E172 N194 E224 S225 E58 K60 K120 E169 N191 E221 S222 4.1.1.48 0000162,0004425,0004640,0006568,0016830,0016831 P20577 32928960 301 PTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKRKEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQGADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDVLMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEVSLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRADDPGLELKRLFFQER 6y88 E 2.09983 BS01 137 E 1 E61 K63 P67 S68 F102 K123 L198 E224 S225 L245 G247 E248 E60 K62 P66 S67 F101 K122 L197 E223 S224 L244 G246 E247 E61 K63 K123 E172 N194 E224 S225 E60 K62 K122 E171 N193 E223 S224 4.1.1.48 0000162,0004425,0004640,0006568,0016830,0016831 P20577 32928960 301 SVPTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKRKEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQGADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDVLMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEVSLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRADDPGLELKRLFFQ 6y88 F 2.09983 BS01 137 F 1 E61 K63 S66 S68 F102 K123 R196 L198 E224 S225 G247 E248 E60 K62 S65 S67 F101 K122 R195 L197 E223 S224 G246 E247 E61 K63 K123 E172 N194 E224 S225 E60 K62 K122 E171 N193 E223 S224 4.1.1.48 0000162,0004425,0004640,0006568,0016830,0016831 P20577 32928960 301 SVPTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKRKEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQGADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDVLMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEVSLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRADDPGLELKRLFFQ 6y88 H 2.09983 BS01 137 H 1 E61 K63 P67 S68 F102 K123 R196 E224 S225 L245 V246 G247 E248 E60 K62 P66 S67 F101 K122 R195 E223 S224 L244 V245 G246 E247 E61 K63 K123 E172 N194 E224 S225 E60 K62 K122 E171 N193 E223 S224 4.1.1.48 0000162,0004425,0004640,0006568,0016830,0016831 P20577 32928960 301 SVPTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKRKEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQGADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDVLMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEVSLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRADDPGLELKRLFF 7ety A 2.21 BS01 137 A 1 C266 I288 S293 R295 R319 H338 D393 G397 G398 G400 G421 D439 N441 S442 C261 I283 S288 R290 R314 H333 D388 G392 G393 G395 G416 D434 N436 S437 4.1.1.48,5.3.1.24 0000162,0004425,0004640,0006568,0016830,0016831,0016853 P06560 34657425 501 LPTVLESIVEGRRGHLEEIRARIAHVDVDALPKSTRSLFDSLNQGRGGARFIMECKSASPSLGMIREHYQPGEIARVYSRYASGISVLCEPDRFGGDYDHLATVAATSHLPVLCKDFIIDPVQVHAARYFGADAILLMLSVLDDEEYAALAAEAARFDLDILTEVIDEEEVARAIKLGAKIFGVNHRNLHDLSIDLDRSRRLSKLIPADAVLVSESGVRDTETVRQLGGHSNAFLVGSQLTSQENVDLAARELVYGPNKVCGLTSPSAAQTARAAGAVYGGLIFEEASPRNVSRETLQKIIAAEPNLRYVAVSRRTSGYKDLLVDGIFAVQIHAPLQDSVEAEKALIAAVREEVGPQVQVWRAISMSSPLGAEVAAAVEGDVDKLILDAHEGGSGEVFDWATVPAAVKAKSLLAGGISPDNAAQALAVGCAGLDINSGVEYPAGAGTWAGAKDAGALLKIFATISTFHYL 7ety A 2.21 BS02 137 A 2 I13 E59 K61 S64 P65 S66 F99 K120 L194 S221 R224 V241 G242 S243 I8 E54 K56 S59 P60 S61 F94 K115 L189 S216 R219 V236 G237 S238 4.1.1.48,5.3.1.24 0000162,0004425,0004640,0006568,0016830,0016831,0016853 P06560 34657425 502 LPTVLESIVEGRRGHLEEIRARIAHVDVDALPKSTRSLFDSLNQGRGGARFIMECKSASPSLGMIREHYQPGEIARVYSRYASGISVLCEPDRFGGDYDHLATVAATSHLPVLCKDFIIDPVQVHAARYFGADAILLMLSVLDDEEYAALAAEAARFDLDILTEVIDEEEVARAIKLGAKIFGVNHRNLHDLSIDLDRSRRLSKLIPADAVLVSESGVRDTETVRQLGGHSNAFLVGSQLTSQENVDLAARELVYGPNKVCGLTSPSAAQTARAAGAVYGGLIFEEASPRNVSRETLQKIIAAEPNLRYVAVSRRTSGYKDLLVDGIFAVQIHAPLQDSVEAEKALIAAVREEVGPQVQVWRAISMSSPLGAEVAAAVEGDVDKLILDAHEGGSGEVFDWATVPAAVKAKSLLAGGISPDNAAQALAVGCAGLDINSGVEYPAGAGTWAGAKDAGALLKIFATISTFHYL 7ety B 2.21 BS02 137 B 1 C266 I288 S293 R295 R319 H338 G421 D439 N441 S442 C262 I284 S289 R291 R315 H334 G407 D425 N427 S428 4.1.1.48,5.3.1.24 0000162,0004425,0004640,0006568,0016830,0016831,0016853 P06560 34657425 502 NLPTVLESIVEGRRGHLEEIRARIAHVDVDALPKSTRSLFDSLNQGRGGARFIMECKSASPSLGMIREHYQPGEIARVYSRYASGISVLCEPDRFGGDYDHLATVAATSHLPVLCKDFIIDPVQVHAARYFGADAILLMLSVLDDEEYAALAAEAARFDLDILTEVIDEEEVARAIKLGAKIFGVNHRNLHDLSIDLDRSRRLSKLIPADAVLVSESGVRDTETVRQLGGHSNAFLVGSQLTSQENVDLAARELVYGPNKVCGLTSPSAAQTARAAGAVYGGLIFEEASPRNVSRETLQKIIAAEPNLRYVAVSRRTSGYKDLLVDGIFAVQIHAPLQDSVEAEKALIAAVREEVGPQVQVWRAISMSSPLGAEVAAAVEGDVDKLILDDWATVPAAVKAKSLLAGGISPDNAAQALAVGCAGLDINSGVEYPAGAGTWAGAKDAGALLKIFATISTFHYL 7ety B 2.21 BS03 137 B 2 I13 E59 K61 S64 S66 F99 K120 L194 S221 R224 L240 V241 G242 S243 I9 E55 K57 S60 S62 F95 K116 L190 S217 R220 L236 V237 G238 S239 4.1.1.48,5.3.1.24 0000162,0004425,0004640,0006568,0016830,0016831,0016853 P06560 34657425 503 NLPTVLESIVEGRRGHLEEIRARIAHVDVDALPKSTRSLFDSLNQGRGGARFIMECKSASPSLGMIREHYQPGEIARVYSRYASGISVLCEPDRFGGDYDHLATVAATSHLPVLCKDFIIDPVQVHAARYFGADAILLMLSVLDDEEYAALAAEAARFDLDILTEVIDEEEVARAIKLGAKIFGVNHRNLHDLSIDLDRSRRLSKLIPADAVLVSESGVRDTETVRQLGGHSNAFLVGSQLTSQENVDLAARELVYGPNKVCGLTSPSAAQTARAAGAVYGGLIFEEASPRNVSRETLQKIIAAEPNLRYVAVSRRTSGYKDLLVDGIFAVQIHAPLQDSVEAEKALIAAVREEVGPQVQVWRAISMSSPLGAEVAAAVEGDVDKLILDDWATVPAAVKAKSLLAGGISPDNAAQALAVGCAGLDINSGVEYPAGAGTWAGAKDAGALLKIFATISTFHYL