1bm7 A 2.0 BS01 FLF A 1 K15 A108 S117 T119 K6 A99 S108 T110 ? 0005179,0005515,0005576,0005615,0005737,0006144,0007165,0035578,0042802,0070062,0070324 Kd=30nM -logKd/Ki=7.52, Kd=30nM IC50=2900nM P02766 9789022 501 CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVT 1bm7 B 2.0 BS01 FLF B 1 K15 A108 S117 T119 K6 A99 S108 T110 ? 0005179,0005515,0005576,0005615,0005737,0006144,0007165,0035578,0042802,0070062,0070324 Kd=30nM -logKd/Ki=7.52, Kd=30nM IC50=2900nM P02766 9789022 502 CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVT 1s2c A 1.8 BS02 FLF A 1 Y55 W86 H117 M120 N167 W227 F306 F311 Y50 W81 H112 M115 N162 W222 F301 F306 D50 Y55 K84 H117 D45 Y50 K79 H112 1.1.1.-,1.1.1.188,1.1.1.210,1.1.1.239,1.1.1.357,1.1.1.53,1.1.1.62,1.1.1.64 0001523,0001758,0004032,0004033,0004303,0004745,0005515,0005634,0005737,0005829,0006629,0006693,0007186,0007584,0008202,0008284,0008584,0009267,0016488,0016491,0016655,0019371,0030216,0032052,0035410,0036130,0036131,0042448,0042572,0042574,0043170,0044597,0044598,0045550,0045703,0047017,0047020,0047023,0047024,0047035,0047044,0047045,0047086,0047787,0048385,0051897,0052650,0061370,0070062,0070293,0071277,0071379,0071384,0071395,0071799,1900053,2000224,2000353,2000379 Ki~0.14uM IC50=51nM, Ki=140nM P42330 14996743 2001 QCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYS 1s2c A 1.8 BS03 FLF A 2 Q6 C7 V8 V18 L261 G264 V265 Q1 C2 V3 V13 L256 G259 V260 D50 Y55 K84 H117 D45 Y50 K79 H112 1.1.1.-,1.1.1.188,1.1.1.210,1.1.1.239,1.1.1.357,1.1.1.53,1.1.1.62,1.1.1.64 0001523,0001758,0004032,0004033,0004303,0004745,0005515,0005634,0005737,0005829,0006629,0006693,0007186,0007584,0008202,0008284,0008584,0009267,0016488,0016491,0016655,0019371,0030216,0032052,0035410,0036130,0036131,0042448,0042572,0042574,0043170,0044597,0044598,0045550,0045703,0047017,0047020,0047023,0047024,0047035,0047044,0047045,0047086,0047787,0048385,0051897,0052650,0061370,0070062,0070293,0071277,0071379,0071384,0071395,0071799,1900053,2000224,2000353,2000379 Ki~0.14uM IC50=51nM, Ki=140nM P42330 14996743 2002 QCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYS 2pix A 2.4 BS02 FLF A 1 F673 N727 E829 L830 N833 Y834 E837 F3 N57 E159 L160 N163 Y164 E167 ? -logKd/Ki=4.30, IC50=50uM IC50=>50000nM, EC50=67000nM P10275 17911242 2386 PIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHT 3ozl A 1.9 BS01 FLF A 1 K15 A108 V121 K6 A99 V112 ? 0005179,0005515,0005576,0005615,0005737,0006144,0007165,0035578,0042802,0070062,0070324 IC50=2900nM P02766 501 CPLMVKVLDAVRGSPTINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNP 3ozl B 1.9 BS01 FLF B 1 K15 A108 L110 V121 K6 A99 L101 V112 ? 0005179,0005515,0005576,0005615,0005737,0006144,0007165,0035578,0042802,0070062,0070324 IC50=2900nM P02766 502 CPLMVKVLDAVRGSPTINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN 4i5x A 2.1 BS01 FLF A 1 W21 K22 Y49 H111 F123 W23 K24 Y51 H113 F125 D44 Y49 K78 H111 D46 Y51 K80 H113 1.1.1.300,1.1.1.54 0001523,0001758,0004032,0004033,0005515,0005576,0005739,0005764,0005829,0006629,0008106,0016488,0016491,0042572,0044597,0044598,0045550,0047655,0047718,0052650,0110095 ic50=0.76uM IC50=760nM O60218 24100137 401 AHMATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQNEHEVGEAIQEKIQEKAVKREDLFIVSKLWPTFFERPLVRKAFEKTLKDLKLSYLDVYLIHWPQGFKSGDDLFPKDDKGNAIGGKATFLDAWEAMEELVDEGLVKALGVSNFSHFQIEKLLNKPGLKYKPVTNQVECHPYLTQEKLIQYCHSKGITVTAYSPLGSPDRPWAKPEDPSLLEDPKIKEIAAKHKKTAAQVLIRFHIQRNVIVIPKSVTPARIVENIQVFDFKLSDEEMATILSFNRNWRACNVLQSSHLEDYPFDAEY 5dq8 A 2.305 BS01 FLF A 1 F233 S345 V347 K357 M379 C380 L383 I408 F12 S92 V94 K104 M126 C127 L130 I155 ? Kd=73uM -logKd/Ki=4.14, Kd=73uM Q15562 26592798 501 GLGTARLQLVEFSAFVEPQRHLFVHISQLESVDVRQIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWGFYGVSSQYESLEHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVR 5dq8 B 2.305 BS01 FLF B 1 S345 V347 K357 M379 C380 I408 F428 S105 V107 K117 M139 C140 I168 F188 ? Kd=73uM Q15562 26592798 501 ARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQAPPLESVDVRQIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWGGFYGVSSQYESLEHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVRDV 5dq8 B 2.305 BS02 FLF B 2 K277 K301 W303 E404 V427 K52 K76 W78 E164 V187 ? Kd=73uM Q15562 26592798 502 ARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQAPPLESVDVRQIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWGGFYGVSSQYESLEHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVRDV 5ikv A 2.508 BS01 FLF A 1 V349 L352 S353 Y355 Y385 G526 A527 S530 V317 L320 S321 Y323 Y353 G494 A495 S498 Q203 H207 L384 Y385 H388 G526 S530 Q171 H175 L352 Y353 H356 G494 S498 1.14.99.1 0001516,0001525,0004601,0004666,0005515,0005634,0005637,0005640,0005737,0005783,0005788,0005789,0005901,0006979,0007566,0007612,0007613,0008217,0008284,0008285,0009410,0009624,0009750,0010042,0010269,0010575,0016020,0016702,0019371,0019899,0020037,0030282,0031394,0031622,0031915,0032227,0032310,0032355,0032496,0032991,0033138,0033280,0034097,0034605,0034612,0035633,0042127,0042307,0042633,0042803,0043005,0043065,0043066,0043154,0045429,0045786,0045907,0045986,0045987,0046697,0046872,0048661,0050727,0050873,0051213,0051384,0051926,0051968,0070542,0071222,0071260,0071284,0071318,0071456,0071471,0071498,0071636,0090050,0090271,0090336,0090362,0098869,0150077,1902219,1905375,1990776 IC50=16nM P35354 27226593 601 NPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVP 5ikv B 2.508 BS01 FLF B 1 V349 Y385 W387 G526 A527 S530 V317 Y353 W355 G494 A495 S498 Q203 H207 L384 Y385 H388 G526 S530 Q171 H175 L352 Y353 H356 G494 S498 1.14.99.1 0001516,0001525,0004601,0004666,0005515,0005634,0005637,0005640,0005737,0005783,0005788,0005789,0005901,0006979,0007566,0007612,0007613,0008217,0008284,0008285,0009410,0009624,0009750,0010042,0010269,0010575,0016020,0016702,0019371,0019899,0020037,0030282,0031394,0031622,0031915,0032227,0032310,0032355,0032496,0032991,0033138,0033280,0034097,0034605,0034612,0035633,0042127,0042307,0042633,0042803,0043005,0043065,0043066,0043154,0045429,0045786,0045907,0045986,0045987,0046697,0046872,0048661,0050727,0050873,0051213,0051384,0051926,0051968,0070542,0071222,0071260,0071284,0071318,0071456,0071471,0071498,0071636,0090050,0090271,0090336,0090362,0098869,0150077,1902219,1905375,1990776 IC50=16nM P35354 27226593 601 NPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVP 8xqr R 3.2 BS01 FLF R 1 G104 Y107 S194 F198 F237 H276 G103 Y106 S180 F184 F217 H256 0001580,0004930,0005886,0007186,0008527,0016020,0033038,0050909 Q59310,Q9NYV8 38776963 501 GGVIKSIFTFVLIVEFIIGNLGNSFIALVNCIDWVKGRKISSVDRILTALAISRISLVWLIFGSWCVSVFFPALFATEKMFRMLTNIWTVINHFSVWLATGLGTFYFLKIANFSNSIFLYLKWRVKKVVLVLLLVTSVFLFLNIALINIHINASINGFTRFSSLIVLTSTVFIFIPFTLSLAMFLLLIFSMWKHRKKMQHTVKTKAHRGVKSVITFFLLYAIFSLSFFISVWTSERLEENLIILSQVMGMAYPSCHSCVLILGNKKLRQASLSVLLWLR 8xqs R 3.3 BS01 FLF R 1 G104 Y107 S194 F198 F237 H276 G103 Y106 S180 F184 F209 H248 0001580,0004930,0005886,0007186,0008527,0016020,0033038,0050909 Q59310,Q9NYV8 38776963 501 GGVIKSIFTFVLIVEFIIGNLGNSFIALVNCIDWVKGRKISSVDRILTALAISRISLVWLIFGSWCVSVFFPALFATEKMFRMLTNIWTVINHFSVWLATGLGTFYFLKIANFSNSIFLYLKWRVKKVVLVLLLVTSVFLFLNIALINIHINASINGFTRFSSLIVLTSTVFIFIPFTLSLAMFLLLIFSMWKHRKKMQHTVKSVITFFLLYAIFSLSFFISVWTSERLEENLIILSQVMGMAYPSCHSCVLILGNKKLRQASLSVLLWLR