3qz1 A 3.0 BS02 3QZ A 1 L110 L196 W200 R232 T294 L82 L166 W170 R202 T259 T294 F420 C427 T259 F382 C389 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0008202,0008395,0016020,0016705,0020037,0046872,0103069,0106309 P00191 501 HLPPLVPGFLHLLQPNLPIHLLSLTQKLGPVYRLRLGLQEVVVLNSKRTIEEAMIRKWVDFAGRPQIPSYKLVSQRCQDISLGDYSLLWKAHKKLTRSALLLRSSMEPWVDQLTQEFCERMRVQAGAPVTIQKEFSLLTCSIICYLTFGNKEDTLVHAFHDCVQDLMKTWDHWSIQILDMVPFLRFFPNPGLWRLKQAIENRDHMVEKQLRRHKESMVAGQWRDMTDYMLQGVGRQRVQLLEGHVHMSVVDLFIGGTETTASTLSWAVAFLLHHPEIQRRLQEELDRELGPGASCSRVTYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSIFGYDIPEGMVVIPNLQGAHLDETVWEQPHEFRPDRFLANPSALAFGCGARVCLGESLARLELFVVLARLLQAFTLLPPPVGALPSLQPDPYCGVNLKVQPFQVRLQPR 3qz1 A 3.0 BS03 3QZ A 2 L64 G65 Q67 L36 G37 Q39 T294 F420 C427 T259 F382 C389 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0008202,0008395,0016020,0016705,0020037,0046872,0103069,0106309 P00191 502 HLPPLVPGFLHLLQPNLPIHLLSLTQKLGPVYRLRLGLQEVVVLNSKRTIEEAMIRKWVDFAGRPQIPSYKLVSQRCQDISLGDYSLLWKAHKKLTRSALLLRSSMEPWVDQLTQEFCERMRVQAGAPVTIQKEFSLLTCSIICYLTFGNKEDTLVHAFHDCVQDLMKTWDHWSIQILDMVPFLRFFPNPGLWRLKQAIENRDHMVEKQLRRHKESMVAGQWRDMTDYMLQGVGRQRVQLLEGHVHMSVVDLFIGGTETTASTLSWAVAFLLHHPEIQRRLQEELDRELGPGASCSRVTYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSIFGYDIPEGMVVIPNLQGAHLDETVWEQPHEFRPDRFLANPSALAFGCGARVCLGESLARLELFVVLARLLQAFTLLPPPVGALPSLQPDPYCGVNLKVQPFQVRLQPR 3qz1 B 3.0 BS02 3QZ B 1 S109 L196 W200 T294 V358 S81 L164 W168 T252 V311 T294 F420 C427 T252 F373 C380 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0008202,0008395,0016020,0016705,0020037,0046872,0103069,0106309 P00191 501 HLPPLVPGFLHLLQPNLPIHLLSLTQKLGPVYRLRLGLQEVVVLNSKRTIEEAMIRKWVDFAGRPQIPSYKLVSQRCQDISLGDYSLLWKAHKKLTRSALLLSMEPWVDQLTQEFCERMRVQAGAPVTIQKEFSLLTCSIICYLTFGNKEDTLVHAFHDCVQDLMKTWDHWSIQILDMVPFLRFFPNPGLWRLKQAIENRDHMVEKQLRRHKESMVAGQWRDMTDYMLQGVQLLEGHVHMSVVDLFIGGTETTASTLSWAVAFLLHHPEIQRRLQEELDRELGPRVTYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSIFGYDIPEGMVVIPNLQGAHLDETVWEQPHEFRPDRFLEPGANPSALAFGCGARVCLGESLARLELFVVLARLLQAFTLLPPPVGALPSLQPDPYCGVNLKVQPFQVRLQPR 3qz1 B 3.0 BS03 3QZ B 2 L40 M210 L360 L12 M178 L313 T294 F420 C427 T252 F373 C380 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0008202,0008395,0016020,0016705,0020037,0046872,0103069,0106309 P00191 502 HLPPLVPGFLHLLQPNLPIHLLSLTQKLGPVYRLRLGLQEVVVLNSKRTIEEAMIRKWVDFAGRPQIPSYKLVSQRCQDISLGDYSLLWKAHKKLTRSALLLSMEPWVDQLTQEFCERMRVQAGAPVTIQKEFSLLTCSIICYLTFGNKEDTLVHAFHDCVQDLMKTWDHWSIQILDMVPFLRFFPNPGLWRLKQAIENRDHMVEKQLRRHKESMVAGQWRDMTDYMLQGVQLLEGHVHMSVVDLFIGGTETTASTLSWAVAFLLHHPEIQRRLQEELDRELGPRVTYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSIFGYDIPEGMVVIPNLQGAHLDETVWEQPHEFRPDRFLEPGANPSALAFGCGARVCLGESLARLELFVVLARLLQAFTLLPPPVGALPSLQPDPYCGVNLKVQPFQVRLQPR 3qz1 C 3.0 BS02 3QZ C 1 V101 S109 L196 W200 I229 R232 D286 V73 S81 L166 W170 I199 R202 D246 T294 F420 C427 T254 F375 C382 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0008202,0008395,0016020,0016705,0020037,0046872,0103069,0106309 P00191 501 HLPPLVPGFLHLLQPNLPIHLLSLTQKLGPVYRLRLGLQEVVVLNSKRTIEEAMIRKWVDFAGRPQIPSYKLVSQRCQDISLGDYSLLWKAHKKLTRSALLLRSSMEPWVDQLTQEFCERMRVQAGAPVTIQKEFSLLTCSIICYLTFGNKEDTLVHAFHDCVQDLMKTWDHWSIQILDMVPFLRFFPNPGLWRLKQAIENRDHMVEKQLRRHKESMVAGQWRDMTDYMLQGVQLLEGHVHMSVVDLFIGGTETTASTLSWAVAFLLHHPEIQRRLQEELDRELGPRVTYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSIFGYDIPEGMVVIPNLQGAHLDETVWEQPHEFRPDRFLEPGANPSALAFGCGARVCLGESLARLELFVVLARLLQAFTLLPPPVGALPSLQPDPYCGVNLKVQPFQVRLQP 3qz1 D 3.0 BS02 3QZ D 1 S109 L196 R232 T294 S81 L165 R201 T253 T294 F420 C427 T253 F373 C380 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0008202,0008395,0016020,0016705,0020037,0046872,0103069,0106309 P00191 501 HLPPLVPGFLHLLQPNLPIHLLSLTQKLGPVYRLRLGLQEVVVLNSKRTIEEAMIRKWVDFAGRPQIPSYKLVSQRCQDISLGDYSLLWKAHKKLTRSALLLSSMEPWVDQLTQEFCERMRVQAGAPVTIQKEFSLLTCSIICYLTFGNKEDTLVHAFHDCVQDLMKTWDHWSIQILDMVPFLRFFPNPGLWRLKQAIENRDHMVEKQLRRHKESMVAGQWRDMTDYMLQGVQLLEGHVHMSVVDLFIGGTETTASTLSWAVAFLLHHPEIQRRLQEELDRELGPVTYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSIFGYDIPEGMVVIPNLQGAHLDETVWEQPHEFRPDRFLEPGANPSALAFGCGARVCLGESLARLELFVVLARLLQAFTLLPPPVGALPSLQPDPYCGVNLKVQPFQVRLQ 3qz1 D 3.0 BS03 3QZ D 2 L64 Q206 L360 A361 L36 Q175 L313 A314 T294 F420 C427 T253 F373 C380 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0008202,0008395,0016020,0016705,0020037,0046872,0103069,0106309 P00191 502 HLPPLVPGFLHLLQPNLPIHLLSLTQKLGPVYRLRLGLQEVVVLNSKRTIEEAMIRKWVDFAGRPQIPSYKLVSQRCQDISLGDYSLLWKAHKKLTRSALLLSSMEPWVDQLTQEFCERMRVQAGAPVTIQKEFSLLTCSIICYLTFGNKEDTLVHAFHDCVQDLMKTWDHWSIQILDMVPFLRFFPNPGLWRLKQAIENRDHMVEKQLRRHKESMVAGQWRDMTDYMLQGVQLLEGHVHMSVVDLFIGGTETTASTLSWAVAFLLHHPEIQRRLQEELDRELGPVTYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSIFGYDIPEGMVVIPNLQGAHLDETVWEQPHEFRPDRFLEPGANPSALAFGCGARVCLGESLARLELFVVLARLLQAFTLLPPPVGALPSLQPDPYCGVNLKVQPFQVRLQ 4nky A 2.55 BS02 3QZ A 1 D298 T306 V483 D257 T265 V442 T306 F435 C442 T265 F394 C401 1.14.14.19,1.14.14.32 0004497,0004508,0005506,0005783,0005789,0006694,0006702,0006704,0007548,0008202,0008395,0016020,0016705,0016829,0019825,0020037,0030424,0042445,0042446,0042448,0043025,0046872 P05093 25301938 601 LLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDILSNNRKGIAFADSGAHWQLHRRLAMATFALFKDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQ 4nky B 2.55 BS02 3QZ B 1 D298 G301 T306 V483 D259 G262 T267 V444 T306 F435 C442 T267 F396 C403 1.14.14.19,1.14.14.32 0004497,0004508,0005506,0005783,0005789,0006694,0006702,0006704,0007548,0008202,0008395,0016020,0016705,0016829,0019825,0020037,0030424,0042445,0042446,0042448,0043025,0046872 P05093 25301938 601 LLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDILSNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQ 4nky C 2.55 BS02 3QZ C 1 A113 N202 D298 V483 A83 N169 D262 V447 T306 F435 C442 T270 F399 C406 1.14.14.19,1.14.14.32 0004497,0004508,0005506,0005783,0005789,0006694,0006702,0006704,0007548,0008202,0008395,0016020,0016705,0016829,0019825,0020037,0030424,0042445,0042446,0042448,0043025,0046872 P05093 25301938 601 LLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDILSNNRKGIAFADSGAHWQLHRRLAMATFALFKQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQ 4nky D 2.55 BS02 3QZ D 1 N202 I205 I206 D298 A302 I371 V483 N172 I175 I176 D260 A264 I333 V445 T306 F435 C442 T268 F397 C404 1.14.14.19,1.14.14.32 0004497,0004508,0005506,0005783,0005789,0006694,0006702,0006704,0007548,0008202,0008395,0016020,0016705,0016829,0019825,0020037,0030424,0042445,0042446,0042448,0043025,0046872 P05093 25301938 601 LLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDILSNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQ 5ier A 2.005 BS01 3QZ A 1 L12 T43 A91 S93 F107 Y109 L11 T42 A90 S92 F106 Y108 -logKd/Ki=4.89, Kd~13uM 28980354 201 QSPALIASQSLWRCTQAHDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFFDTHIAATRLTVTCEETFPSSSPDEIAHILVAHSEFDGGFTSEVRGVFTYRVNKAGLITNLRGYWNLDMMTFG 5ier B 2.005 BS01 3QZ B 1 L12 W13 T16 L69 A91 F107 L11 W12 T15 L68 A90 F106 28980354 201 QSPALIASQSLWRCTQAHDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFFDTHIAATRLTVTCEETFPSSSPDEIAHILVAHSEFDGGFTSEVRGVFTYRVNKAGLITNLRGYWNLDMMTFG 5ier C 2.005 BS01 3QZ C 1 L12 T43 Y109 L11 T42 Y108 28980354 201 QSPALIASQSLWRCTQAHDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFFDTHIAATRLTVTCEETFPSSSPDEIAHILVAHSEFDGGFTSEVRGVFTYRVNKAGLITNLRGYWNLDMMTFG 5ier D 2.005 BS01 3QZ D 1 L12 W13 V103 F107 L11 W12 V98 F102 28980354 201 QSPALIASQSLWRCTQAHDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFFDTHIAATRLTVTCEETFPSSSPDEIAHILVAHSEFTSEVRGVFTYRVNKAGLITNLRGYWNLDMMTF 5if6 A 2.501 BS01 3QZ A 1 L12 F107 Y124 L12 F107 Y124 -logKd/Ki=7.23, Kd=59nM 28980354 201 TQSPALIASQSLGRCTQAKDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFWDTHIADDRVTVTCEETFPSSSPDEIAHILVAHAEFDGGFTSEVRGVFTYRVNKAGLITNLRGYYNLDMMTFGNQ 5if6 B 2.501 BS01 3QZ B 1 A91 F107 Y124 A90 F106 Y123 28980354 201 QSPALIASQSLGRCTQAKDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFWDTHIADDRVTVTCEETFPSSSPDEIAHILVAHAEFDGGFTSEVRGVFTYRVNKAGLITNLRGYYNLDMMTFGNQ 5if6 C 2.501 BS01 3QZ C 1 L12 A91 F107 Y124 L12 A91 F107 Y124 28980354 201 TQSPALIASQSLGRCTQAKDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFWDTHIADDRVTVTCEETFPSSSPDEIAHILVAHAEFDGGFTSEVRGVFTYRVNKAGLITNLRGYYNLDMMTFGNQ 5if6 D 2.501 BS01 3QZ D 1 F107 Y124 F107 Y124 28980354 201 TQSPALIASQSLGRCTQAKDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFWDTHIADDRVTVTCEETFPSSSPDEIAHILVAHAEFDGGFTSEVRGVFTYRVNKAGLITNLRGYYNLDMMTFGNQ 5if6 E 2.501 BS01 3QZ E 1 A91 F107 Y124 A91 F107 Y124 28980354 201 TQSPALIASQSLGRCTQAKDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFWDTHIADDRVTVTCEETFPSSSPDEIAHILVAHAEFDGGFTSEVRGVFTYRVNKAGLITNLRGYYNLDMMTFGNQ 5if6 F 2.501 BS01 3QZ F 1 L12 V71 A91 F107 Y124 L12 V71 A91 F104 Y121 28980354 201 TQSPALIASQSLGRCTQAKDREGWLALMADDVVIETPIGKSVTNPDGSGIKGKEAVGAFWDTHIADDRVTVTCEETFPSSSPDEIAHILVAHAEGFTSEVRGVFTYRVNKAGLITNLRGYYNLDMMTFGNQ 5vbu A 3.31 BS02 3QZ A 1 V101 S109 V198 W202 R234 D288 G292 L364 V73 S81 V170 W174 R206 D252 G256 L321 T296 F422 C429 T260 F379 C386 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0006705,0008202,0008395,0016020,0016125,0016705,0020037,0042445,0046872,0103069,0106309 P08686 28539365 502 KLPPLAPGFLHLLQPDLPIYLLGLTQKFGPIYRLHLGLQDVVVLNSKRTIEEAMVKKWADFAGRPEPLTYKLVSRNYPDLSLGDYSLLWKAHKKLTRSALLLGIRDSMEPVVEQLTQEFCERMRAQPGTPVAIEEEFSLLTCSIICYLTFGDKIKDDNLMPAYYKCIQEVLKTWSHWSIQIVDVIPFLRFFPNPGLRRLKQAIEKRDHIVEMQLRQHKESLVAGQWRDMMDYMLQGVAGQLLEGHVHMAAVDLLIGGTETTANTLSWAVVFLLHHPEIQQRLQEELDHESRVPYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSISGYDIPEGTVIIPNLQGAHLDETVWERPHEFWPDRFLEPGKNSRALAFGCGARVCLGEPLARLELFVVLTRLLQAFTLLPSGDALPSLQPLPHCSVILKMQPFQVRLQPRG 5vbu B 3.31 BS02 3QZ B 1 V101 S109 V198 W202 R234 D288 G292 L364 V73 S81 V170 W174 R206 D252 G256 L321 T296 F422 C429 T260 F379 C386 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0006705,0008202,0008395,0016020,0016125,0016705,0020037,0042445,0046872,0103069,0106309 P08686 28539365 502 KLPPLAPGFLHLLQPDLPIYLLGLTQKFGPIYRLHLGLQDVVVLNSKRTIEEAMVKKWADFAGRPEPLTYKLVSRNYPDLSLGDYSLLWKAHKKLTRSALLLGIRDSMEPVVEQLTQEFCERMRAQPGTPVAIEEEFSLLTCSIICYLTFGDKIKDDNLMPAYYKCIQEVLKTWSHWSIQIVDVIPFLRFFPNPGLRRLKQAIEKRDHIVEMQLRQHKESLVAGQWRDMMDYMLQGVAGQLLEGHVHMAAVDLLIGGTETTANTLSWAVVFLLHHPEIQQRLQEELDHESRVPYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSISGYDIPEGTVIIPNLQGAHLDETVWERPHEFWPDRFLEPGKNSRALAFGCGARVCLGEPLARLELFVVLTRLLQAFTLLPSGDALPSLQPLPHCSVILKMQPFQVRLQPR 5vbu C 3.31 BS02 3QZ C 1 V101 S109 V198 W202 R234 D288 G292 L364 V73 S81 V170 W174 R206 D252 G256 L321 T296 F422 C429 T260 F379 C386 1.14.14.16 0004497,0004509,0005496,0005506,0005783,0005789,0006694,0006704,0006705,0008202,0008395,0016020,0016125,0016705,0020037,0042445,0046872,0103069,0106309 P08686 28539365 502 KLPPLAPGFLHLLQPDLPIYLLGLTQKFGPIYRLHLGLQDVVVLNSKRTIEEAMVKKWADFAGRPEPLTYKLVSRNYPDLSLGDYSLLWKAHKKLTRSALLLGIRDSMEPVVEQLTQEFCERMRAQPGTPVAIEEEFSLLTCSIICYLTFGDKIKDDNLMPAYYKCIQEVLKTWSHWSIQIVDVIPFLRFFPNPGLRRLKQAIEKRDHIVEMQLRQHKESLVAGQWRDMMDYMLQGVAGQLLEGHVHMAAVDLLIGGTETTANTLSWAVVFLLHHPEIQQRLQEELDHESRVPYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSISGYDIPEGTVIIPNLQGAHLDETVWERPHEFWPDRFLEPGKNSRALAFGCGARVCLGEPLARLELFVVLTRLLQAFTLLPSGDALPSLQPLPHCSVILKMQPFQVRLQPRG