1hw9 A 2.33 BS02 SIM A 1 E559 C561 L562 S565 K735 A751 H752 N755 L853 E107 C109 L110 S113 K283 A299 H300 N303 L401 E559 K691 D767 E107 K239 D315 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=11nM P04035 11349148 4 PRPNEECKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 1hw9 A 2.33 BS04 SIM B 1 R590 S684 D690 K692 R138 S232 D238 K240 E559 K691 D767 E107 K239 D315 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=11nM P04035 11349148 3 PRPNEECKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 1hw9 B 2.33 BS02 SIM A 1 R590 S684 D690 K692 R128 S222 D228 K230 E559 K691 D767 E97 K229 D305 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=11nM P04035 11349148 4 SDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 1hw9 B 2.33 BS05 SIM B 1 E559 C561 L562 S565 K735 A751 N755 E97 C99 L100 S103 K273 A289 N293 E559 K691 D767 E97 K229 D305 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=11nM P04035 11349148 3 SDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 1hw9 C 2.33 BS02 SIM C 1 R590 V683 S684 D690 K692 R119 V212 S213 D219 K221 E559 K691 D767 E88 K220 D296 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=11nM P04035 11349148 1 SDAEIIAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 1hw9 C 2.33 BS03 SIM C 2 E559 C561 S565 K735 A751 E88 C90 S94 K264 A280 E559 K691 D767 E88 K220 D296 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=11nM P04035 11349148 2 SDAEIIAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 1hw9 D 2.33 BS02 SIM C 1 E559 C561 L562 S565 K735 A751 N755 L853 E88 C90 L91 S94 K264 A280 N284 L382 E559 K691 D767 E88 K220 D296 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 P04035 11349148 1 DAEIIQAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAA 1hw9 D 2.33 BS03 SIM C 2 R590 S684 D690 K692 R119 S213 D219 K221 E559 K691 D767 E88 K220 D296 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 P04035 11349148 2 DAEIIQAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAA 3hlf A 2.0 BS01 SIM A 1 A76 Y146 R173 Y188 Y258 I325 G366 W390 A88 Y158 R185 Y200 Y270 I337 G378 W402 A76 K79 Y146 F148 Y188 D193 N245 F363 G366 A88 K91 Y158 F160 Y200 D205 N257 F375 G378 2.3.1.238 0016218,0016746,0016787,0017000,0030639,0050832,0140735 Q9Y7D1 19875080 500 HHSSGLVPRGSHMGSIIDAAAAAGPVVLMETAFRKAVESRQIPGAVIMARDASGNLNYTRCFGARTVRRDENNQLPPLQVDTPCRLAAATKLLTTIMVLQCMERGLVDLDETVDRLLPDLSAMPVLEGFDDAGNARLRERRGKITLRHLLTHTSGLSYVFLHPLLREYMAQGYLQSAEKFGIQSRLAPPAVNDPGAEWIYGTNLDWAGKLVERATGLDLEQYLQENICAPLGITDMTFKLQQRPDMLARRADQTHRNSADGRLRYDDSVYFRADGEECFGGQGVFSSPGSYMKVLHSLLKRDGLLLQPQTVDLMFQPALEPRLEEQMNQHMDASPHINYGGPMPMVLRRSFGLGGIIALEDLDGENWRRKGSLTFGGGPNIVWQIDPKAGLCTLAFFQLEPWNDPVCRDLTRTFEHAIYAQYQQG 4xw2 A 2.001 BS02 SIM A 1 S142 S144 R208 T209 F246 S11 S13 R77 T78 F115 ? P11215 27339893 402 DSDIAFLIDGSGSIIPHDFRRMKEFVSTVMEQLKKSKTLFSLMQYSEEFRIHFTFKEFQNNPNPRSLVKPITQLLGRTHTATGIRKVVRELFNITNGARKNAFKILVVITDGEKFGDPLGYEDVIPEADREGVIRYVIGVGDAFRSEKSRQELNTIASKPPRDHVFQVNNFEALKTIQNQLREK 6kjf A 2.4 BS01 SIM A 1 A56 S57 F129 Y170 I236 F309 W344 G345 G346 G347 A57 S58 F130 Y171 I237 F310 W345 G346 G347 G348 3.1.1.- 0016787 B6H6L7 403 HMDTTFQAAIDTGKINGAVVCATDAQGHFVYNKATGERTLLSGEKQPQQLDDVLYLASATKLITTIAALQCVEDGLLSLDGDLSSIAPELAAKYVLTGFTDDESPLDDPPARPITLKMLLTHSSGTSYHFLDPSIAKWRAQYANPENEKPRLVEEMFTYPLSFQPGTGWMYGPGLDWAGRVVERVTGGTLMEFMQKRIFDPLGITDSQFYPVTREDLRARLVDLNPSDPGALGSAVIGGGGEMNLRGRGAFGGHGLFLTGLDFVKILRSLLANDGMLLKPAAVDNMFQQHLGPEAAASHRAALASPLGPFFRVGTDPETKVGYGLGGLLTLEDVDGWYGERTLTWGGGLTLTWFIDRKNNLCGVGAIQAVLPVDGDLMADLKQTFRHDIYRKYSAWKGQQ 6kjf B 2.4 BS01 SIM B 1 A56 S57 F129 Y170 I236 E241 F309 W344 G345 G346 G347 A57 S58 F130 Y171 I237 E242 F310 W345 G346 G347 G348 3.1.1.- 0016787 -logKd/Ki=4.97, Kd=10.8uM B6H6L7 404 HMDTTFQAAIDTGKINGAVVCATDAQGHFVYNKATGERTLLSGEKQPQQLDDVLYLASATKLITTIAALQCVEDGLLSLDGDLSSIAPELAAKYVLTGFTDDESPLDDPPARPITLKMLLTHSSGTSYHFLDPSIAKWRAQYANPENEKPRLVEEMFTYPLSFQPGTGWMYGPGLDWAGRVVERVTGGTLMEFMQKRIFDPLGITDSQFYPVTREDLRARLVDLNPSDPGALGSAVIGGGGEMNLRGRGAFGGHGLFLTGLDFVKILRSLLANDGMLLKPAAVDNMFQQHLGPEAAASHRAALASPLGPFFRVGTDPETKVGYGLGGLLTLEDVDGWYGERTLTWGGGLTLTWFIDRKNNLCGVGAIQAVLPVDGDLMADLKQTFRHDIYRKYSAWKGQQ