6duk A 2.2 BS01 MG A 1 N842 D855 N142 D155 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1101 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEED 6duk A 2.2 BS02 ANP A 1 S720 G721 A722 V726 A743 K745 M790 L792 M793 C797 D837 R841 N842 L844 S20 G21 A22 V26 A43 K45 M90 L92 M93 C97 D137 R141 N142 L144 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1102 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEED 6duk A 2.2 BS03 JBJ A 1 F723 A743 K745 L747 E749 I759 M766 C775 R776 L777 L788 M790 D855 F856 L858 L861 L862 E865 F23 A43 K45 L47 E49 I59 M66 C75 R76 L77 L88 M90 D155 F156 L158 L161 L162 E165 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 -logKd/Ki=9.59, IC50=0.26nM IC50=>1000nM P00533 31092401 1103 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEED 6duk B 2.2 BS01 MG B 1 N842 D855 N144 D157 D837 A839 R841 N842 D855 D139 A141 R143 N144 D157 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1101 PNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk B 2.2 BS02 ANP B 1 L718 G721 A722 V726 A743 K745 M790 M793 D837 L20 G23 A24 V28 A45 K47 M92 M95 D139 D837 A839 R841 N842 D855 D139 A141 R143 N144 D157 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1102 PNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk B 2.2 BS03 JBJ B 1 V726 A743 K745 I759 M766 R776 L777 L788 M790 D855 F856 L858 L861 L862 V28 A45 K47 I61 M68 R78 L79 L90 M92 D157 F158 L160 L163 L164 D837 A839 R841 N842 D855 D139 A141 R143 N144 D157 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 PNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk C 2.2 BS01 MG C 1 N842 D855 N144 D157 D837 A839 R841 N842 D855 D139 A141 R143 N144 D157 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1101 PNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk C 2.2 BS02 ANP C 1 L718 G721 A722 V726 A743 K745 M790 M793 D837 R841 N842 L844 L20 G23 A24 V28 A45 K47 M92 M95 D139 R143 N144 L146 D837 A839 R841 N842 D855 D139 A141 R143 N144 D157 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1102 PNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk C 2.2 BS03 JBJ C 1 A743 K745 M766 R776 L777 L788 M790 D855 F856 L858 L861 A45 K47 M68 R78 L79 L90 M92 D157 F158 L160 L163 D837 A839 R841 N842 D855 D139 A141 R143 N144 D157 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 PNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk D 2.2 BS01 MG D 1 N842 D855 N142 D155 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1101 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk D 2.2 BS02 ANP D 1 G719 S720 G721 V726 A743 K745 M790 L792 M793 D837 R841 N842 G19 S20 G21 V26 A43 K45 M90 L92 M93 D137 R141 N142 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1102 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk D 2.2 BS03 JBJ D 1 F723 V726 A743 K745 I759 M766 R776 L777 L788 M790 D855 F856 L858 L861 E865 F23 V26 A43 K45 I59 M66 R76 L77 L88 M90 D155 F156 L158 L161 E165 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk E 2.2 BS01 MG E 1 N842 D855 N145 D158 D837 A839 R841 N842 D855 D140 A142 R144 N145 D158 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1101 APNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk E 2.2 BS02 ANP E 1 S720 G721 A722 V726 A743 K745 M790 L792 M793 D837 R841 N842 L844 S23 G24 A25 V29 A46 K48 M93 L95 M96 D140 R144 N145 L147 D837 A839 R841 N842 D855 D140 A142 R144 N145 D158 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1102 APNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk E 2.2 BS03 JBJ E 1 A743 K745 L747 M766 R776 L777 L788 M790 D855 F856 L858 L861 L862 A46 K48 L50 M69 R79 L80 L91 M93 D158 F159 L161 L164 L165 D837 A839 R841 N842 D855 D140 A142 R144 N145 D158 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 APNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk F 2.2 BS01 MG F 1 N842 D855 N142 D155 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1101 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDD 6duk F 2.2 BS02 ANP F 1 L718 G721 A722 V726 A743 K745 M793 D837 R841 N842 L844 L18 G21 A22 V26 A43 K45 M93 D137 R141 N142 L144 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 P00533 31092401 1102 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDD 6duk F 2.2 BS03 JBJ F 1 A743 K745 I759 M766 R776 L777 L788 M790 D855 F856 L858 A43 K45 I59 M66 R76 L77 L88 M90 D155 F156 L158 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDD