2q1l A 2.05 BS01 882 A 1 E559 C561 L562 S565 R568 K735 A751 N755 L853 A856 H861 E90 C92 L93 S96 R99 K266 A282 N286 L384 A387 H392 E559 K691 D767 E90 K222 D298 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=12.4nM -logKd/Ki=7.91, IC50=12.4nM IC50=1.8nM P04035 17574412 876 AKFLSDAEIIQLVNAIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH 2q1l A 2.05 BS02 882 A 2 R590 S684 D690 K692 R121 S215 D221 K223 E559 K691 D767 E90 K222 D298 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=12.4nM -logKd/Ki=7.91, IC50=12.4nM IC50=1.8nM P04035 17574412 877 AKFLSDAEIIQLVNAIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH 2q1l B 2.05 BS01 882 A 1 R590 S661 V683 S684 D690 K692 R130 S201 V223 S224 D230 K232 E559 K691 D767 E99 K231 D307 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 -logKd/Ki=7.91, IC50=12.4nM IC50=1.8nM P04035 17574412 876 AKFLSDAEIIQLVNAKHIPAYKLETLIHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH 2q1l B 2.05 BS02 882 A 2 E559 C561 L562 S565 K735 H752 L853 A856 G860 E99 C101 L102 S105 K275 H292 L393 A396 G400 E559 K691 D767 E99 K231 D307 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 -logKd/Ki=7.91, IC50=12.4nM IC50=1.8nM P04035 17574412 877 AKFLSDAEIIQLVNAKHIPAYKLETLIHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH 2q1l C 2.05 BS01 882 C 1 R590 V683 S684 D690 K692 R146 V239 S240 D246 K248 E559 K691 D767 E115 K247 D323 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=12.4nM IC50=1.8nM P04035 17574412 876 PNEECLQILGNAEGAKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 2q1l C 2.05 BS02 882 D 1 E559 C561 L562 S565 R568 K735 A751 L853 A856 L857 E115 C117 L118 S121 R124 K291 A307 L409 A412 L413 E559 K691 D767 E115 K247 D323 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=12.4nM IC50=1.8nM P04035 17574412 876 PNEECLQILGNAEGAKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 2q1l D 2.05 BS01 882 C 1 E559 C561 L562 S565 R568 K735 A751 H752 N755 L853 A856 L857 E94 C96 L97 S100 R103 K270 A286 H287 N290 L388 A391 L392 E559 K691 D767 E94 K226 D302 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=12.4nM IC50=1.8nM P04035 17574412 876 GAKFLSDAEIIQLVNAKHLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAA 2q1l D 2.05 BS02 882 D 1 R590 M657 V683 S684 D690 K692 R125 M192 V218 S219 D225 K227 E559 K691 D767 E94 K226 D302 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 ic50=12.4nM IC50=1.8nM P04035 17574412 876 GAKFLSDAEIIQLVNAKHLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAA 3cd7 A 2.05 BS01 882 A 1 E559 C561 L562 S565 R568 K735 A751 N755 L853 A856 H861 E90 C92 L93 S96 R99 K266 A282 N286 L384 A387 H392 E559 K691 D767 E90 K222 D298 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 Kd=14.3nM -logKd/Ki=7.84, Kd=14.3nM IC50=1.8nM P04035 18540668 1 AKFLSDAEIIQLVNAIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH 3cd7 A 2.05 BS02 882 A 2 R590 S684 D690 K692 R121 S215 D221 K223 E559 K691 D767 E90 K222 D298 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 Kd=14.3nM -logKd/Ki=7.84, Kd=14.3nM IC50=1.8nM P04035 18540668 2 AKFLSDAEIIQLVNAIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH 3cd7 B 2.05 BS01 882 A 1 R590 S661 V683 S684 D690 K692 R130 S201 V223 S224 D230 K232 E559 K691 D767 E99 K231 D307 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 -logKd/Ki=7.84, Kd=14.3nM IC50=1.8nM P04035 18540668 1 AKFLSDAEIIQLVNAKHIPAYKLETLIHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH 3cd7 B 2.05 BS02 882 A 2 E559 C561 L562 S565 K735 H752 L853 A856 G860 E99 C101 L102 S105 K275 H292 L393 A396 G400 E559 K691 D767 E99 K231 D307 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 -logKd/Ki=7.84, Kd=14.3nM IC50=1.8nM P04035 18540668 2 AKFLSDAEIIQLVNAKHIPAYKLETLIHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGH 3cd7 C 2.05 BS01 882 C 1 R590 V683 S684 D690 K692 R146 V239 S240 D246 K248 E559 K691 D767 E115 K247 D323 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 Kd=14.3nM IC50=1.8nM P04035 18540668 4 PNEECLQILGNAEGAKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 3cd7 C 2.05 BS02 882 D 1 E559 C561 L562 S565 R568 K735 A751 L853 A856 L857 E115 C117 L118 S121 R124 K291 A307 L409 A412 L413 E559 K691 D767 E115 K247 D323 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 Kd=14.3nM IC50=1.8nM P04035 18540668 3 PNEECLQILGNAEGAKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAG 3cd7 D 2.05 BS01 882 C 1 E559 C561 L562 S565 R568 K735 A751 H752 N755 L853 A856 L857 E94 C96 L97 S100 R103 K270 A286 H287 N290 L388 A391 L392 E559 K691 D767 E94 K226 D302 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 Kd=14.3nM IC50=1.8nM P04035 18540668 4 GAKFLSDAEIIQLVNAKHLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAA 3cd7 D 2.05 BS02 882 D 1 R590 M657 V683 S684 D690 K692 R125 M192 V218 S219 D225 K227 E559 K691 D767 E94 K226 D302 1.1.1.34 0004420,0005789,0008299,0015936,0016616,0050661 Kd=14.3nM IC50=1.8nM P04035 18540668 3 GAKFLSDAEIIQLVNAKHLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAA