1mrn A 2.45 BS02 T5A A 1 D9 F36 P37 Y39 A49 E50 H53 F70 R74 R95 S99 N100 Y103 R160 Y165 D9 F36 P37 Y39 A49 E50 H53 F70 R74 R95 S99 N100 Y103 R160 Y165 2.7.4.9 0000287,0004798,0005524,0005525,0005737,0005829,0006227,0006233,0006235,0009165,0016301,0016310,0042803,0046044,0046872,0046940 Ki=30uM -logKd/Ki=4.52, Ki=30uM P9WKE1 12454011 301 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLA 1p75 A 3.02 BS01 T5A A 1 Y34 G35 I36 G37 K38 S39 T40 E60 Y78 Q102 F105 R139 S144 F148 R192 P312 Y14 G15 I16 G17 K18 S19 T20 E40 Y58 Q82 F85 R119 S124 F128 R172 P291 K38 E60 D138 R139 E201 K18 E40 D118 R119 E180 2.7.1.21 0004797,0005524,0006230,0009157,0016301,0016310,0071897 P24425 14527394 501 HMVTIVRIYLDGVYGIGKSTTGRVMASAASGGSPTLYFPEPMAYWRTLFETDVISGIYDTQNRKQQGNLAVDDAALITAHYQSRFTTPYLILHDHTCTLFGGNSLQRGTQPDLTLVFDRHPVASTVCFPAARYLLGDMSMCALMAMVATLPREPQGGNIVVTTLNVEEHIRRLRTRARGEQIDITLIATLRNVYFMLVNTCHFLRSGRVWRDGWGELPTSCGAYKHRATQMDAFQERVSPELGDTLFALFKTQELLDDRGVILEVHAWALDALMLKLRNLNVFSADLSGTPRQCAAVVESLLPLMSSTLSDFDSASALERAARTFNAEMGV 1p75 B 3.02 BS01 T5A B 1 G35 I36 G37 K38 S39 T40 E60 Q102 F105 S144 F148 R192 R196 G310 T311 P312 G16 I17 G18 K19 S20 T21 E41 Q83 F86 S125 F129 R173 R177 G291 T292 P293 K38 E60 D138 R139 E201 K19 E41 D119 R120 E182 2.7.1.21 0004797,0005524,0006230,0009157,0016301,0016310,0071897 P24425 14527394 502 SHMVTIVRIYLDGVYGIGKSTTGRVMASAASGGSPTLYFPEPMAYWRTLFETDVISGIYDTQNRKQQGNLAVDDAALITAHYQSRFTTPYLILHDHTCTLFGGNSLQRGTQPDLTLVFDRHPVASTVCFPAARYLLGDMSMCALMAMVATLPREPQGGNIVVTTLNVEEHIRRLRTRARIGEQIDITLIATLRNVYFMLVNTCHFLRSGRVWRDGWGELPTSCGAYKHRATQMDAFQERVSPELGDTLFALFKTQELLDDRGVILEVHAWALDALMLKLRNLNVFSADLSGTPRQCAAVVESLLPLMSSTLSDFDSASALERAARTFNAEMGV 1p75 C 3.02 BS01 T5A C 1 G35 I36 G37 K38 S39 T40 E60 M62 W65 Y78 Q102 F105 R139 S144 F148 R192 G310 T311 G16 I17 G18 K19 S20 T21 E41 M43 W46 Y59 Q83 F86 R120 S125 F129 R173 G288 T289 K38 E60 D138 R139 E201 K19 E41 D119 R120 E179 2.7.1.21 0004797,0005524,0006230,0009157,0016301,0016310,0071897 P24425 14527394 503 SHMVTIVRIYLDGVYGIGKSTTGRVMASAASGGSPTLYFPEPMAYWRTLFETDVISGIYDTQNRKQQGNLAVDDAALITAHYQSRFTTPYLILHDHTCTLFGGNSLQRGTQPDLTLVFDRHPVASTVCFPAARYLLGDMSMCALMAMVATLPREPQGGNIVVTTLNVEEHIRRLRTRGEQIDITLIATLRNVYFMLVNTCHFLRSGRVWRDGWGELPTSCGAYKHRATQMDAFQERVSPELGDTLFALFKTQELLDDRGVILEVHAWALDALMLKLRNLNVFSADLSGTPRQCAAVVESLLPLMSSTLSDFDSASALERAARTFNAEMGV 1p75 D 3.02 BS01 T5A D 1 Y34 G35 I36 G37 K38 S39 T40 E60 M62 Y78 Q102 F105 S144 F148 R192 G310 T311 P312 Y15 G16 I17 G18 K19 S20 T21 E41 M43 Y59 Q83 F86 S125 F129 R173 G286 T287 P288 K38 E60 D138 R139 E201 K19 E41 D119 R120 E177 2.7.1.21 0004797,0005524,0006230,0009157,0016301,0016310,0071897 P24425 14527394 504 SHMVTIVRIYLDGVYGIGKSTTGRVMASAASGGSPTLYFPEPMAYWRTLFETDVISGIYDTQNRKQQGNLAVDDAALITAHYQSRFTTPYLILHDHTCTLFGGNSLQRGTQPDLTLVFDRHPVASTVCFPAARYLLGDMSMCALMAMVATLPREPQGGNIVVTTLNVEEHIRRLRGEQIDITLIATLRNVYFMLVNTCHFLRSGRVWRDGWGELPTSCGAYKHRATQMDAFQERVSPELGDTLFALFKTQELLDDRGVILEVHAWALDALMLKLRNLNVFSADLSGTPRQCAAVVESLLPLMSSTLSDFDSASALERAARTFNAEMGV 1p7c A 2.1 BS01 T5A A 1 H58 G59 M60 G61 K62 T64 E83 I97 Y101 Q125 M128 R163 A168 Y172 R216 K219 R220 R222 E225 P333 H14 G15 M16 G17 K18 T20 E35 I45 Y49 Q73 M76 R107 A112 Y116 R160 K163 R164 R166 E169 P263 K62 E83 D162 R163 R220 R222 E225 K18 E35 D106 R107 R164 R166 E169 2.7.1.21 0004797,0005524,0006230,0009157,0016301,0016310,0071897 P0DTH5 14527394 503 KMPTLLRVYIDGPHGMGKTTTTQLLVALDIVYVPEPRVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQCGGSWREDWGQLSGGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRSMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPTICDLARTFARE 2wwh A 2.7 BS01 T5A A 1 D17 R18 G20 K21 S22 T23 F44 L59 F74 R78 R99 G104 Y107 R145 Y153 I184 D18 R19 G21 K22 S23 T24 F45 L60 F75 R79 R100 G105 Y108 R146 Y154 I185 2.7.4.8,2.7.4.9 0004385,0004550,0004798,0005524,0005634,0005737,0005739,0006177,0006227,0006233,0006235,0009165,0016301,0016310,0046710,0046940,0050316 Q8I4S1 20353400 211 HMTDDKKKGKFIVFEGLDRSGKSTQSKLLVEYLKNNNVEVKHLYFPNRETGIGQIISKYLKMENSMSNETIHLLFSANRWEHMNEIKSLLLKGIWVVCDRYAYSGVAYSSGALNLNKTWCMNPDQGLIKPDVVFYLNVPPNYAQNRSDYGEEIYEKVETQKKIYETYKHFAHEDYWINIDATRKIEDIHNDIVKEVTKIKVEPEEFNFLWS 2wwh B 2.7 BS01 T5A A 1 A170 H171 A170 H171 2.7.4.8,2.7.4.9 0004385,0004550,0004798,0005524,0005634,0005737,0005739,0006177,0006227,0006233,0006235,0009165,0016301,0016310,0046710,0046940,0050316 Q8I4S1 20353400 211 MTDDKKKGKFIVFEGLDRSGKSTQSKLLVEYLKNNNVEVKHLYFPNRETGIGQIISKYLKMENSMSNETIHLLFSANRWEHMNEIKSLLLKGIWVVCDRYAYSGVAYSSGALNLNKTWCMNPDQGLIKPDVVFYLNVPPNYAQNRSDYGEEIYEKVETQKKIYETYKHFAHEDYWINIDATRKIEDIHNDIVKEVTKIKVEPEEFNFLWS 2wwh B 2.7 BS02 T5A B 1 D17 R18 S19 G20 K21 S22 T23 F44 L59 F74 R78 R99 S103 G104 Y107 R145 R182 I184 D17 R18 S19 G20 K21 S22 T23 F44 L59 F74 R78 R99 S103 G104 Y107 R145 R182 I184 2.7.4.8,2.7.4.9 0004385,0004550,0004798,0005524,0005634,0005737,0005739,0006177,0006227,0006233,0006235,0009165,0016301,0016310,0046710,0046940,0050316 Q8I4S1 20353400 211 MTDDKKKGKFIVFEGLDRSGKSTQSKLLVEYLKNNNVEVKHLYFPNRETGIGQIISKYLKMENSMSNETIHLLFSANRWEHMNEIKSLLLKGIWVVCDRYAYSGVAYSSGALNLNKTWCMNPDQGLIKPDVVFYLNVPPNYAQNRSDYGEEIYEKVETQKKIYETYKHFAHEDYWINIDATRKIEDIHNDIVKEVTKIKVEPEEFNFLWS 2wwh C 2.7 BS01 T5A C 1 D17 R18 G20 K21 S22 T23 F44 P45 R47 L59 F74 R78 R99 G104 Y107 R145 R182 I184 D17 R18 G20 K21 S22 T23 F44 P45 R47 L59 F74 R78 R99 G104 Y107 R145 R182 I184 2.7.4.8,2.7.4.9 0004385,0004550,0004798,0005524,0005634,0005737,0005739,0006177,0006227,0006233,0006235,0009165,0016301,0016310,0046710,0046940,0050316 Q8I4S1 20353400 211 MTDDKKKGKFIVFEGLDRSGKSTQSKLLVEYLKNNNVEVKHLYFPNRETGIGQIISKYLKMENSMSNETIHLLFSANRWEHMNEIKSLLLKGIWVVCDRYAYSGVAYSSGALNLNKTWCMNPDQGLIKPDVVFYLNVPPNYAQNRSDYGEEIYEKVETQKKIYETYKHFAHEDYWINIDATRKIEDIHNDIVKEVTKIKVEPEEFNFLWS 3tmk A 2.0 BS01 T5A A 1 D14 R15 G17 K18 T19 T20 K37 F38 P39 R41 L53 F69 R73 R94 G99 Y102 E142 K143 S144 Y151 G188 I189 D14 R15 G17 K18 T19 T20 K37 F38 P39 R41 L53 F69 R73 R94 G99 Y102 E142 K143 S144 Y151 G188 I189 2.7.4.9 0004550,0004798,0005515,0005524,0005634,0005737,0006227,0006233,0006235,0009041,0009165,0016301,0016310,0046940 Kd=135nM -logKd/Ki=6.87, Kd=135nM P00572 9521686 217 MMGRGKLILIEGLDRTGKTTQCNILYKKLQPNCKLLKFPERSTRIGGLINEYLTDDSFQLSDQAIHLLFSANRWEIVDKIKKDLLEGKNIVMDRYVYSGVAYSAAKGTNGMDLDWCLQPDVGLLKPDLTLFLSTQDVDNNAEKSGFGDERYETVKFQEKVKQTFMKLLDKEIRKGDESITIVDVTNKGIQEVEALIWQIVEPVLSTHIDHDKFSFF 3tmk B 2.0 BS01 T5A B 1 D14 R15 T16 G17 K18 T19 T20 K37 F38 P39 R41 L53 F69 R73 R94 G99 Y102 K143 Y151 K187 G188 I189 D14 R15 T16 G17 K18 T19 T20 K37 F38 P39 R41 L53 F69 R73 R94 G99 Y102 K143 Y151 K187 G188 I189 2.7.4.9 0004550,0004798,0005515,0005524,0005634,0005737,0006227,0006233,0006235,0009041,0009165,0016301,0016310,0046940 Kd=135nM P00572 9521686 217 MMGRGKLILIEGLDRTGKTTQCNILYKKLQPNCKLLKFPERSTRIGGLINEYLTDDSFQLSDQAIHLLFSANRWEIVDKIKKDLLEGKNIVMDRYVYSGVAYSAAKGTNGMDLDWCLQPDVGLLKPDLTLFLSTQDVDNNAEKSGFGDERYETVKFQEKVKQTFMKLLDKEIRKGDESITIVDVTNKGIQEVEALIWQIVEPVLSTHIDHDKFSFF 3tmk C 2.0 BS01 T5A C 1 D14 R15 G17 K18 T19 T20 F38 P39 R41 L53 F69 R73 R94 G99 Y102 Y151 K187 G188 I189 D14 R15 G17 K18 T19 T20 F38 P39 R41 L53 F69 R73 R94 G99 Y102 Y140 K176 G177 I178 2.7.4.9 0004550,0004798,0005515,0005524,0005634,0005737,0006227,0006233,0006235,0009041,0009165,0016301,0016310,0046940 Kd=135nM P00572 9521686 217 MMGRGKLILIEGLDRTGKTTQCNILYKKLQPNCKLLKFPERSTRIGGLINEYLTDDSFQLSDQAIHLLFSANRWEIVDKIKKDLLEGKNIVMDRYVYSGVAYSAAKGTNGMDLDWCLQPDVGLLKPDLTLFLSTQDDERYETVKFQEKVKQTFMKLLDKEIRKGDESITIVDVTNKGIQEVEALIWQIVEPVLSTHIDHDKFSFF 3tmk D 2.0 BS01 T5A D 1 D14 R15 T16 G17 K18 T19 T20 K37 F38 R41 F69 R73 R94 G99 Y102 K143 Y151 G188 I189 D12 R13 T14 G15 K16 T17 T18 K35 F36 R39 F67 R71 R92 G97 Y100 K141 Y149 G186 I187 2.7.4.9 0004550,0004798,0005515,0005524,0005634,0005737,0006227,0006233,0006235,0009041,0009165,0016301,0016310,0046940 Kd=135nM P00572 9521686 217 GRGKLILIEGLDRTGKTTQCNILYKKLQPNCKLLKFPERSTRIGGLINEYLTDDSFQLSDQAIHLLFSANRWEIVDKIKKDLLEGKNIVMDRYVYSGVAYSAAKGTNGMDLDWCLQPDVGLLKPDLTLFLSTQDVDNNAEKSGFGDERYETVKFQEKVKQTFMKLLDKEIRKGDESITIVDVTNKGIQEVEALIWQIVEPVLSTHIDHDKFSFF 3tmk E 2.0 BS01 T5A E 1 D14 R15 T16 G17 K18 T19 T20 K37 F38 P39 R41 L53 F69 R73 R94 G99 Y102 E142 S144 Y151 G188 I189 D13 R14 T15 G16 K17 T18 T19 K36 F37 P38 R40 L52 F68 R72 R93 G98 Y101 E141 S143 Y150 G187 I188 2.7.4.9 0004550,0004798,0005515,0005524,0005634,0005737,0006227,0006233,0006235,0009041,0009165,0016301,0016310,0046940 Kd=135nM P00572 9521686 217 MGRGKLILIEGLDRTGKTTQCNILYKKLQPNCKLLKFPERSTRIGGLINEYLTDDSFQLSDQAIHLLFSANRWEIVDKIKKDLLEGKNIVMDRYVYSGVAYSAAKGTNGMDLDWCLQPDVGLLKPDLTLFLSTQDVDNNAEKSGFGDERYETVKFQEKVKQTFMKLLDKEIRKGDESITIVDVTNKGIQEVEALIWQIVEPVLSTHIDHDKFSFF 3tmk F 2.0 BS01 T5A F 1 D14 R15 T16 G17 K18 T19 T20 K37 F38 P39 R41 L53 F69 R73 R94 G99 Y102 K143 Y151 K187 G188 I189 D14 R15 T16 G17 K18 T19 T20 K37 F38 P39 R41 L53 F69 R73 R94 G99 Y102 K143 Y151 K187 G188 I189 2.7.4.9 0004550,0004798,0005515,0005524,0005634,0005737,0006227,0006233,0006235,0009041,0009165,0016301,0016310,0046940 Kd=135nM P00572 9521686 217 MMGRGKLILIEGLDRTGKTTQCNILYKKLQPNCKLLKFPERSTRIGGLINEYLTDDSFQLSDQAIHLLFSANRWEIVDKIKKDLLEGKNIVMDRYVYSGVAYSAAKGTNGMDLDWCLQPDVGLLKPDLTLFLSTQDVDNNAEKSGFGDERYETVKFQEKVKQTFMKLLDKEIRKGDESITIVDVTNKGIQEVEALIWQIVEPVLSTHIDHDKFSFF 3tmk G 2.0 BS01 T5A G 1 D14 R15 T16 G17 K18 T19 T20 K37 F38 P39 R41 L53 F69 R73 R94 G99 Y102 E142 K143 Y151 G188 I189 D13 R14 T15 G16 K17 T18 T19 K36 F37 P38 R40 L52 F68 R72 R93 G98 Y101 E141 K142 Y150 G187 I188 2.7.4.9 0004550,0004798,0005515,0005524,0005634,0005737,0006227,0006233,0006235,0009041,0009165,0016301,0016310,0046940 Kd=135nM P00572 9521686 217 MGRGKLILIEGLDRTGKTTQCNILYKKLQPNCKLLKFPERSTRIGGLINEYLTDDSFQLSDQAIHLLFSANRWEIVDKIKKDLLEGKNIVMDRYVYSGVAYSAAKGTNGMDLDWCLQPDVGLLKPDLTLFLSTQDVDNNAEKSGFGDERYETVKFQEKVKQTFMKLLDKEIRKGDESITIVDVTNKGIQEVEALIWQIVEPVLSTHIDHDKFSFF 3tmk H 2.0 BS01 T5A H 1 D14 R15 T16 G17 K18 T19 T20 K37 F38 P39 R41 L53 F69 R73 R94 G99 Y102 Y151 G188 I189 D12 R13 T14 G15 K16 T17 T18 K35 F36 P37 R39 L51 F67 R71 R92 G97 Y100 Y149 G186 I187 2.7.4.9 0004550,0004798,0005515,0005524,0005634,0005737,0006227,0006233,0006235,0009041,0009165,0016301,0016310,0046940 Kd=135nM P00572 9521686 217 GRGKLILIEGLDRTGKTTQCNILYKKLQPNCKLLKFPERSTRIGGLINEYLTDDSFQLSDQAIHLLFSANRWEIVDKIKKDLLEGKNIVMDRYVYSGVAYSAAKGTNGMDLDWCLQPDVGLLKPDLTLFLSTQDVDNNAEKSGFGDERYETVKFQEKVKQTFMKLLDKEIRKGDESITIVDVTNKGIQEVEALIWQIVEPVLSTHIDHDKFSFF 4tmk A 1.98 BS01 T5A A 1 E12 G13 G15 K16 T17 R39 E40 L55 F74 R78 R100 S104 T105 Y108 Q109 R149 R153 I159 E11 G12 G14 K15 T16 R38 E39 L54 F73 R77 R99 S103 T104 Y107 Q108 R148 R152 I158 2.7.4.9 0004798,0005524,0005737,0005829,0006227,0006233,0006235,0009165,0015949,0016301,0016310,0042803,0046940 Kd=20nM -logKd/Ki=7.70, Kd=20nM P0A720 9826650 214 RSKYIVIEGLEGAGKTTARNVVVETLEQLGIRDMVFTREPGGTQLAEKLRSLLLDIKSVGDEVITDKAEVLMFYAARVQLVETVIKPALANGTWVIGDRHDLSTQAYQGGGRGIDQHMLATLRDAVLGDFRPDLTLYLDVTPEVGLKRARARGELDRIEQESFDFFNRTRARYLELAAQDKSIHTIDATQPLEAVMDAIRTTVTHWVKEL 4uxh A 2.4 BS01 T5A A 1 M13 F14 G16 K17 T18 T19 M22 K39 Y46 E85 Q87 F88 L111 D114 Y115 F120 T151 Q160 L162 G164 Y169 M11 F12 G14 K15 T16 T17 M20 K37 Y44 E79 Q81 F82 L105 D108 Y109 F114 T145 Q154 L156 G158 Y163 2.7.1.21 0004797,0005524 ic50=1.1uM -logKd/Ki=5.96, IC50=1.1uM Q4QC75 25978379 1180 RGRIELIIGPMFAGKTTELMRRVKREIHARRSCFVIKYSKDTRYDEHNVALMLRAQAAVSQLTEVRDTWKRFDVLAIDEGQFFSDLVDFCNTAADAGKVVMVSALDGDYRRKPFGQICELVPYCEAVDKLTAVCMMCHEQPACFTRRTVNVEQQELIGGADMYIATCRECYSK 4uxh B 2.4 BS01 T5A B 1 M13 F14 G16 K17 T18 M22 K39 D43 E85 Q87 F88 L111 D114 Y115 F120 T151 R153 Q160 L162 I163 G164 Y169 M11 F12 G14 K15 T16 M20 K37 D41 E68 Q70 F71 L94 D97 Y98 F103 T134 R136 Q143 L145 I146 G147 Y152 2.7.1.21 0004797,0005524 ic50=1.1uM Q4QC75 25978379 1182 RGRIELIIGPMFAGKTTELMRRVKREIHARRSCFVIKYSKDLRAQAAVSQLTEVRDTWKRFDVLAIDEGQFFSDLVDFCNTAADAGKVVMVSALDGDYRRKPFGQICELVPYCEAVDKLTAVCMMCHEQPACFTRRTVNVEQQELIGGADMYIATCRECYSKQQ