6p7i A 2.0 BS01 SAH A 1 Y47 Y48 Y51 M60 R66 G90 A91 L96 E112 A113 P139 V140 E141 E155 M166 S169 Y11 Y12 Y15 M24 R30 G54 A55 L60 E76 A77 P103 V104 E105 E119 M130 S133 D63 E155 E164 H317 D27 E119 E128 H279 2.1.1.319 0000122,0003682,0005515,0005634,0005654,0005730,0006281,0006284,0006325,0006338,0008168,0008469,0010821,0016274,0018216,0032259,0035241,0035242,0036211,0042054,0042393,0044020,0045652,0045892,0070611,0070612,0090398,0140938,1901796,2000059 Q96LA8 401 RRTKRERDQLYYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASAIWQQAREVVRFNGLEDRVHVLPGPVETVELPEQVDAIVSEWMGYGLLHESMLSSVLHARTKWLKEGGLLLPASAELFIVPISDQMLEWRLGFWSQVKQHYGVDMSCLEGFATRCLMGHSEIVVQGLSGEDVLARPQRFAQLELSRAGLEQELEAGVGGRFRCSCYGSAPMHGFAIWFQVTFPGGEKPLVLSTSPFHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAMED 6p7i A 2.0 BS02 O3P A 1 Y47 C50 Y51 V56 E59 M60 E155 M157 Y159 E164 H317 Y11 C14 Y15 V20 E23 M24 E119 M121 Y123 E128 H279 D63 E155 E164 H317 D27 E119 E128 H279 2.1.1.319 0000122,0003682,0005515,0005634,0005654,0005730,0006281,0006284,0006325,0006338,0008168,0008469,0010821,0016274,0018216,0032259,0035241,0035242,0036211,0042054,0042393,0044020,0045652,0045892,0070611,0070612,0090398,0140938,1901796,2000059 IC50=1300nM, Ki=16nM Q96LA8 402 RRTKRERDQLYYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASAIWQQAREVVRFNGLEDRVHVLPGPVETVELPEQVDAIVSEWMGYGLLHESMLSSVLHARTKWLKEGGLLLPASAELFIVPISDQMLEWRLGFWSQVKQHYGVDMSCLEGFATRCLMGHSEIVVQGLSGEDVLARPQRFAQLELSRAGLEQELEAGVGGRFRCSCYGSAPMHGFAIWFQVTFPGGEKPLVLSTSPFHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAMED 6p7i B 2.0 BS01 SAH B 1 Y48 Y51 M60 R66 G90 A91 L96 E112 A113 P139 V140 E141 E155 M166 S169 Y13 Y16 M25 R31 G55 A56 L61 E77 A78 P104 V105 E106 E120 M131 S134 D63 E155 E164 H317 D28 E120 E129 H282 2.1.1.319 0000122,0003682,0005515,0005634,0005654,0005730,0006281,0006284,0006325,0006338,0008168,0008469,0010821,0016274,0018216,0032259,0035241,0035242,0036211,0042054,0042393,0044020,0045652,0045892,0070611,0070612,0090398,0140938,1901796,2000059 Q96LA8 401 PRRTKRERDQLYYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASAIWQQAREVVRFNGLEDRVHVLPGPVETVELPEQVDAIVSEWMGYGLLHESMLSSVLHARTKWLKEGGLLLPASAELFIVPISDQMLEWRLGFWSQVKQHYGVDMSCLEGFATRCLMGHSEIVVQGLSGEDVLARPQRFAQLELSRAGLEQELEAGVGGRFRCSCYGSAPMHGFAIWFQVTFPGGESEKPLVLSTSPFHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAMED 6p7i B 2.0 BS02 O3P B 1 Y47 C50 Y51 V56 E59 M60 E155 M157 Y159 E164 H317 Y12 C15 Y16 V21 E24 M25 E120 M122 Y124 E129 H282 D63 E155 E164 H317 D28 E120 E129 H282 2.1.1.319 0000122,0003682,0005515,0005634,0005654,0005730,0006281,0006284,0006325,0006338,0008168,0008469,0010821,0016274,0018216,0032259,0035241,0035242,0036211,0042054,0042393,0044020,0045652,0045892,0070611,0070612,0090398,0140938,1901796,2000059 IC50=1300nM, Ki=16nM Q96LA8 402 PRRTKRERDQLYYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASAIWQQAREVVRFNGLEDRVHVLPGPVETVELPEQVDAIVSEWMGYGLLHESMLSSVLHARTKWLKEGGLLLPASAELFIVPISDQMLEWRLGFWSQVKQHYGVDMSCLEGFATRCLMGHSEIVVQGLSGEDVLARPQRFAQLELSRAGLEQELEAGVGGRFRCSCYGSAPMHGFAIWFQVTFPGGESEKPLVLSTSPFHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAMED 6p7i C 2.0 BS01 SAH C 1 Y47 Y48 Y51 M60 R66 G90 A91 L96 E112 A113 P139 V140 E141 E155 M166 S169 Y11 Y12 Y15 M24 R30 G54 A55 L60 E76 A77 P103 V104 E105 E119 M130 S133 D63 E155 E164 H317 D27 E119 E128 H279 2.1.1.319 0000122,0003682,0005515,0005634,0005654,0005730,0006281,0006284,0006325,0006338,0008168,0008469,0010821,0016274,0018216,0032259,0035241,0035242,0036211,0042054,0042393,0044020,0045652,0045892,0070611,0070612,0090398,0140938,1901796,2000059 Q96LA8 401 RRTKRERDQLYYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASAIWQQAREVVRFNGLEDRVHVLPGPVETVELPEQVDAIVSEWMGYGLLHESMLSSVLHARTKWLKEGGLLLPASAELFIVPISDQMLEWRLGFWSQVKQHYGVDMSCLEGFATRCLMGHSEIVVQGLSGEDVLARPQRFAQLELSRAGLEQELEAGVGGRFRCSCYGSAPMHGFAIWFQVTFPGGEKPLVLSTSPFHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAMED 6p7i C 2.0 BS02 O3P C 1 Y47 C50 Y51 V56 E59 M60 E155 M157 Y159 E164 H317 Y11 C14 Y15 V20 E23 M24 E119 M121 Y123 E128 H279 D63 E155 E164 H317 D27 E119 E128 H279 2.1.1.319 0000122,0003682,0005515,0005634,0005654,0005730,0006281,0006284,0006325,0006338,0008168,0008469,0010821,0016274,0018216,0032259,0035241,0035242,0036211,0042054,0042393,0044020,0045652,0045892,0070611,0070612,0090398,0140938,1901796,2000059 IC50=1300nM, Ki=16nM Q96LA8 402 RRTKRERDQLYYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASAIWQQAREVVRFNGLEDRVHVLPGPVETVELPEQVDAIVSEWMGYGLLHESMLSSVLHARTKWLKEGGLLLPASAELFIVPISDQMLEWRLGFWSQVKQHYGVDMSCLEGFATRCLMGHSEIVVQGLSGEDVLARPQRFAQLELSRAGLEQELEAGVGGRFRCSCYGSAPMHGFAIWFQVTFPGGEKPLVLSTSPFHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAMED 6p7i D 2.0 BS01 SAH D 1 Y48 Y51 M60 R66 G90 A91 L96 E112 A113 P139 V140 E141 E155 M166 S169 Y14 Y17 M26 R32 G56 A57 L62 E78 A79 P105 V106 E107 E121 M132 S135 D63 E155 E164 H317 D29 E121 E130 H280 2.1.1.319 0000122,0003682,0005515,0005634,0005654,0005730,0006281,0006284,0006325,0006338,0008168,0008469,0010821,0016274,0018216,0032259,0035241,0035242,0036211,0042054,0042393,0044020,0045652,0045892,0070611,0070612,0090398,0140938,1901796,2000059 Q96LA8 401 RPRRTKRERDQLYYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASAIWQQAREVVRFNGLEDRVHVLPGPVETVELPEQVDAIVSEWMGYGLLHESMLSSVLHARTKWLKEGGLLLPASAELFIVPISDQMLEWRLGFWSQVKQHYGVDMSCLEGFATRCLMGHSEIVVQGLSGEDVLARPQRFAQLELSRAGLEQELEAGVGGRFRCSCYGSAPMHGFAIWFQVTFPGEKPLVLSTSPFHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAME 6p7i D 2.0 BS02 O3S D 1 Y47 C50 Y51 E59 M60 E155 M157 Y159 E164 H317 Y13 C16 Y17 E25 M26 E121 M123 Y125 E130 H280 D63 E155 E164 H317 D29 E121 E130 H280 2.1.1.319 0000122,0003682,0005515,0005634,0005654,0005730,0006281,0006284,0006325,0006338,0008168,0008469,0010821,0016274,0018216,0032259,0035241,0035242,0036211,0042054,0042393,0044020,0045652,0045892,0070611,0070612,0090398,0140938,1901796,2000059 IC50=25nM Q96LA8 402 RPRRTKRERDQLYYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASAIWQQAREVVRFNGLEDRVHVLPGPVETVELPEQVDAIVSEWMGYGLLHESMLSSVLHARTKWLKEGGLLLPASAELFIVPISDQMLEWRLGFWSQVKQHYGVDMSCLEGFATRCLMGHSEIVVQGLSGEDVLARPQRFAQLELSRAGLEQELEAGVGGRFRCSCYGSAPMHGFAIWFQVTFPGEKPLVLSTSPFHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAME