diff --git "a/datasets/splits/kcat-seq_test_sequence_60cluster.csv" "b/datasets/splits/kcat-seq_test_sequence_60cluster.csv"
new file mode 100644--- /dev/null
+++ "b/datasets/splits/kcat-seq_test_sequence_60cluster.csv"
@@ -0,0 +1,245 @@
+,Unnamed: 0,Unnamed: 0.1,sequence,sequence_source,uniprot,reaction_smiles,value,reaction_mw_diff_perc,temperature,ph,ec,taxonomy_id,log10_value,reactant_smiles,product_smiles,log10kcat_max,group,pdbpath,sequence_40cluster,sequence_60cluster,sequence_80cluster,sequence_99cluster
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+110,10869,11024,MKKILLTLVIAVLLLSGFAGVKSAELLFVSNSTTTNQEDPENEIIVGYKENTDVAVLSKQVEKTTGAKLSRKGLKNFAVFKLPQGKAADVVMNQLKNDPNVEYVEPNYIAHAFDVPNDTFFNPYQWNFYDYGMTSNGYVSNYGIQAVSAWNITKGAGVKVAIIDTGVAYENYGAYTKAPDLANTLFDTANAYDFVNNDTHANDDNSHGTHVAGTIAQSTNNGMGAAGIAYQATILPIKVLDSEGSGTYDAIANGIIWAADKGARVINMSLGGSSGSTTLQNAIQYAYNKGVVIVCASGNDRRSTVSYPAAYTQCIAVGSTRFDGTRARYSNYGSALDIVAPGGDTSVDQNHDGYGDGILQQTFAEGSPTDFAYYFFQGTSMASPHVAGVAALVLSAHPTYTNEQVRTALQSTAKDLGTAGWDKYYGYGLVNAYAAVNWTP,brenda,B5Y6G0,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,110.0,8.838063402108946e-15,70.0,7.5,3.4.21.66,35786.0,2.041392685158225,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,2.041392685158225,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O__MKKILLTLVIAVLLLSGFAGVKSAELLFVSNSTTTNQEDPENEIIVGYKENTDVAVLSKQVEKTTGAKLSRKGLKNFAVFKLPQGKAADVVMNQLKNDPNVEYVEPNYIAHAFDVPNDTFFNPYQWNFYDYGMTSNGYVSNYGIQAVSAWNITKGAGVKVAIIDTGVAYENYGAYTKAPDLANTLFDTANAYDFVNNDTHANDDNSHGTHVAGTIAQSTNNGMGAAGIAYQATILPIKVLDSEGSGTYDAIANGIIWAADKGARVINMSLGGSSGSTTLQNAIQYAYNKGVVIVCASGNDRRSTVSYPAAYTQCIAVGSTRFDGTRARYSNYGSALDIVAPGGDTSVDQNHDGYGDGILQQTFAEGSPTDFAYYFFQGTSMASPHVAGVAALVLSAHPTYTNEQVRTALQSTAKDLGTAGWDKYYGYGLVNAYAAVNWTP,./data/raw/alphafold//AF-B5Y6G0-F1-model_v4.pdb,3746,3761,1569,3541
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+132,18908,19189,MKTFLGKKLWMASLAVALAAGSFAALPEMTSAAPSEPYTWKNVVTGAGGGFVPGIIFNESEKDLIYARTDIGGAYRWNPANESWIPLTDFVGWDDWNKNGVDALATDPVDPDRVYLAVGTYTNSWDKNNGAILRSTDRGDTWQTTTLPFKVGGNMPGRSMGERLVVDPNDNRILYFGARSGNGLWRSSDYGATWSKVTSFPNPGTYVQDPANEYGSDIVGLAWITFDKSSGQVGQATQTIYVGVADTAQSIYRSTDGGATWTAVPGQPTGYLPHHGVLDADGSLYITYSNGVGPYDGTKGDVWKLNTSTGAWTNISPIPSSSADNYFGYGGLAVDAQEPGTLMVATLNSWWPDAILFRSKDGGTTWTRIWEFDGYPNRKFRYTQNISAAPWLTFGTTPAPPEVSPKLGWMIGDLEIDPFDSDRMMYGTGATIYGTNNLTNWDNNEKIDISVMAKGVEEMAVLDLVSPPSGAHLVSGLGDVNGFRHDDLDQPPAKMFSSPNYASTESLDFAELNPSTMVRVGKADYAADPNAKSIGLSSDGGTNWYKANAEPAGTAGGGTVAISSDGSKLVWSTSDKGVHYSSTGGNSWTASTGIPAQAKVISDRVNPNKFYGFAAGKIYVSVNGGVSFSQTAAAGLPVDGNADLDAVPGVEGELWFAGGNEDGGPYGLWHSTDSGASFAKLSNVEEADSIGFGKAAPGRNSAALYAVAQIDGTRGFFRSDDGGASWVRINDDAHQYARVTTITGDPRIYGRVYLGTNGRGILYADPVGGNNGGETPPVSHSGISPQSTEFDLNADRQADIPVALTLNGNTLASIRNGNHVLVQGSDYTMSGSQVFLSKTYLATLSKGVQSLVFRFSAGNDATLSITVKDTTQVPLPEGSIRIEMYNGTTSATANSINPKFKLTNTGTAPLQLADVNIRYYYTIDGEKPLNFFCDWATAGSANVTGTFSALPAAVNGADHVLEIGFTASAGTLAAGQSTEVQVRFSKTDWTNFTQTDDYSFAASSTAYENWSKVTGYVSGTLQWGIEP,sabio,Q3MUH7,O>>,77.6,94.74099395214304,45.0,6.0,3.2.1.151,58172.0,1.8898617212581883,O,,1.8898617212581883,O__MKTFLGKKLWMASLAVALAAGSFAALPEMTSAAPSEPYTWKNVVTGAGGGFVPGIIFNESEKDLIYARTDIGGAYRWNPANESWIPLTDFVGWDDWNKNGVDALATDPVDPDRVYLAVGTYTNSWDKNNGAILRSTDRGDTWQTTTLPFKVGGNMPGRSMGERLVVDPNDNRILYFGARSGNGLWRSSDYGATWSKVTSFPNPGTYVQDPANEYGSDIVGLAWITFDKSSGQVGQATQTIYVGVADTAQSIYRSTDGGATWTAVPGQPTGYLPHHGVLDADGSLYITYSNGVGPYDGTKGDVWKLNTSTGAWTNISPIPSSSADNYFGYGGLAVDAQEPGTLMVATLNSWWPDAILFRSKDGGTTWTRIWEFDGYPNRKFRYTQNISAAPWLTFGTTPAPPEVSPKLGWMIGDLEIDPFDSDRMMYGTGATIYGTNNLTNWDNNEKIDISVMAKGVEEMAVLDLVSPPSGAHLVSGLGDVNGFRHDDLDQPPAKMFSSPNYASTESLDFAELNPSTMVRVGKADYAADPNAKSIGLSSDGGTNWYKANAEPAGTAGGGTVAISSDGSKLVWSTSDKGVHYSSTGGNSWTASTGIPAQAKVISDRVNPNKFYGFAAGKIYVSVNGGVSFSQTAAAGLPVDGNADLDAVPGVEGELWFAGGNEDGGPYGLWHSTDSGASFAKLSNVEEADSIGFGKAAPGRNSAALYAVAQIDGTRGFFRSDDGGASWVRINDDAHQYARVTTITGDPRIYGRVYLGTNGRGILYADPVGGNNGGETPPVSHSGISPQSTEFDLNADRQADIPVALTLNGNTLASIRNGNHVLVQGSDYTMSGSQVFLSKTYLATLSKGVQSLVFRFSAGNDATLSITVKDTTQVPLPEGSIRIEMYNGTTSATANSINPKFKLTNTGTAPLQLADVNIRYYYTIDGEKPLNFFCDWATAGSANVTGTFSALPAAVNGADHVLEIGFTASAGTLAAGQSTEVQVRFSKTDWTNFTQTDDYSFAASSTAYENWSKVTGYVSGTLQWGIEP,./data/raw/alphafold//AF-Q3MUH7-F1-model_v4.pdb,201,2717,5027,5879
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+432,16548,16777,MPHAHPADIDGHHLTPDTVAAIARGQRAAIVPEPVLGKVADARARFEQVAAANVPIYGVSTGFGELVHNWVDIEHGRALQENLLRSHCAGVGPLFSRDEVRAMMVARANALARGYSAVRPAVIEQLLKYLEAGITPAVPQVGSLGASGDLAPLSHVAITLIGEGKVLTEDGGTAPTAEVLRERGITPLALAYKEGLALINGTSAMTGVSCLLLETLRAQVQQAEIIAALALEGLSASADAFMAHGHDIAKPHPGQIRSAANMRALLADSARLSGHGELSAEMKTRAGEAKNTGTGVFIQKAYTLRCIPQVLGAVRDTLDHCATVVERELNSSNDNPLFFEDGELFHGGNFHGQQVAFAMDFLAIAATQLGVVSERRLNRLLSPHLNNNLPAFLAAANEGLSCGFAGAQYPATALIAENRTICSPASIQSVPSNGDNQDVVSMGLIAARNARRILDNNQYILALELLASCQAAELAGAVEQLAPAGRAVFAFVRERVPFLSIDRYMTDDIEAMAALLRQGALVEVVRGAGIELA,sabio,Q1LRV9,NC(Cc1ccc(O)cc1)C(=O)O>>N.O=C(O)C=Cc1ccc(O)cc1,0.011,7.821441191474541e-15,30.0,8.8,4.3.1.23,119219.0,-1.958607314841775,NC(Cc1ccc(O)cc1)C(=O)O,N.O=C(O)C=Cc1ccc(O)cc1,-1.958607314841775,NC(Cc1ccc(O)cc1)C(=O)O__MPHAHPADIDGHHLTPDTVAAIARGQRAAIVPEPVLGKVADARARFEQVAAANVPIYGVSTGFGELVHNWVDIEHGRALQENLLRSHCAGVGPLFSRDEVRAMMVARANALARGYSAVRPAVIEQLLKYLEAGITPAVPQVGSLGASGDLAPLSHVAITLIGEGKVLTEDGGTAPTAEVLRERGITPLALAYKEGLALINGTSAMTGVSCLLLETLRAQVQQAEIIAALALEGLSASADAFMAHGHDIAKPHPGQIRSAANMRALLADSARLSGHGELSAEMKTRAGEAKNTGTGVFIQKAYTLRCIPQVLGAVRDTLDHCATVVERELNSSNDNPLFFEDGELFHGGNFHGQQVAFAMDFLAIAATQLGVVSERRLNRLLSPHLNNNLPAFLAAANEGLSCGFAGAQYPATALIAENRTICSPASIQSVPSNGDNQDVVSMGLIAARNARRILDNNQYILALELLASCQAAELAGAVEQLAPAGRAVFAFVRERVPFLSIDRYMTDDIEAMAALLRQGALVEVVRGAGIELA,./data/raw/alphafold//AF-Q1LRV9-F1-model_v4.pdb,2682,3780,2353,5251
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+497,8711,8848,MTVKLKKPKKYAVAKNATLLAAFGLIGSLSLAKANDELIKLEKEPGQWVMQNKNYANTRYSELNQINTKNVSRLRLAWSFSTGALRGHEGGPLVVGTTMYVHSAYPNHVYALDLTQKPYAIKWQYTPVQNSQAVAVACCDVVNRGLAYANGKIFMTTLDGQIIALDANTGKELWKMKHADVTKGETITGAPLVVKDKVLVGVSGGEFGVRGRVGAYDINTGNRVWLAYSQGPDEEVLLDSDFNKEFPQHGGPGDGTKTWPGEQWKLGGGTTWGWYSYDPALDLFYYGTSNPGTWNAEQRKGGDNKWSCTIFARRPDTGKARWAYQMTPWDSWDYDGVNEMILPDLTVKGKKTPCLVHFDRNGFGYVLDRRTGQLIEAQPFVYVNWAKEISKENDRPVEIPEKRTKQGVDTKGICPNSMGGKDQQPAAFSPQTGLFYVPTNNMCMNYEGVEATYTAGAPYVGANVLMYSGHEGKDDYYGAFICYDALKGKRVWEIHEHFPVWSGPVVTAGGLAFYGTMDGWFKAVDIKTGKVLWQQKLGSGIIGNPITFLGPDKKQYVAVYSGVGGWFGIAVAQNLPPDDPYAGLGAVGVAYQAGLPKATTVGGELYVFALE,sabio,I0JWN7,CO.CO>>C=O.C=O,0.2,3.2220943613348707,45.0,7.2,1.1.2.8,591154.0,-0.6989700043360187,CO.CO,C=O.C=O,-0.6989700043360187,CO.CO__MTVKLKKPKKYAVAKNATLLAAFGLIGSLSLAKANDELIKLEKEPGQWVMQNKNYANTRYSELNQINTKNVSRLRLAWSFSTGALRGHEGGPLVVGTTMYVHSAYPNHVYALDLTQKPYAIKWQYTPVQNSQAVAVACCDVVNRGLAYANGKIFMTTLDGQIIALDANTGKELWKMKHADVTKGETITGAPLVVKDKVLVGVSGGEFGVRGRVGAYDINTGNRVWLAYSQGPDEEVLLDSDFNKEFPQHGGPGDGTKTWPGEQWKLGGGTTWGWYSYDPALDLFYYGTSNPGTWNAEQRKGGDNKWSCTIFARRPDTGKARWAYQMTPWDSWDYDGVNEMILPDLTVKGKKTPCLVHFDRNGFGYVLDRRTGQLIEAQPFVYVNWAKEISKENDRPVEIPEKRTKQGVDTKGICPNSMGGKDQQPAAFSPQTGLFYVPTNNMCMNYEGVEATYTAGAPYVGANVLMYSGHEGKDDYYGAFICYDALKGKRVWEIHEHFPVWSGPVVTAGGLAFYGTMDGWFKAVDIKTGKVLWQQKLGSGIIGNPITFLGPDKKQYVAVYSGVGGWFGIAVAQNLPPDDPYAGLGAVGVAYQAGLPKATTVGGELYVFALE,./data/raw/alphafold//AF-I0JWN7-F1-model_v4.pdb,3497,3414,1152,3071
+498,21853,22179,MKKILIINGPNLNLLGTREKEVYGTETLDDIAKKVAEEAAKLNVNIEFFQSNHEGDIIDKIHAARGNTDAIIINPGAYTHYSIAIRDAIKAVEIPTIEIHLSNIHAREEFRSHSVIAPVCVGQICGFGSNSYILGLNAAALL,brenda,G8M0G7,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O>>O.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1,59.61,7.453857947349876e-15,60.0,6.5,4.2.1.10,288965.0,1.7753191218294777,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1,1.7753191218294777,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O__MKKILIINGPNLNLLGTREKEVYGTETLDDIAKKVAEEAAKLNVNIEFFQSNHEGDIIDKIHAARGNTDAIIINPGAYTHYSIAIRDAIKAVEIPTIEIHLSNIHAREEFRSHSVIAPVCVGQICGFGSNSYILGLNAAALL,./data/raw/alphafold//AF-G8M0G7-F1-model_v4.pdb,721,119,5842,6751
+525,15947,16174,MADEAALALQPGGSPSAAGADREAASSPAGEPLRKRPRRDGPGLERSPGEPGGAAPEREVPAAARGCPGAAAAALWREAEAEAAAAGGEQEAQATAAAGEGDNGPGLQGPSREPPLADNLYDEDDDDEGEEEEEAAAAAIGYRDNLLFGDEIITNGFHSCESDEEDRASHASSSDWTPRPRIGPYTFVQQHLMIGTDPRTILKDLLPETIPPPELDDMTLWQIVINILSEPPKRKKRKDINTIEDAVKLLQECKKIIVLTGAGVSVSCGIPDFRSRDGIYARLAVDFPDLPDPQAMFDIEYFRKDPRPFFKFAKEIYPGQFQPSLCHKFIALSDKEGKLLRNYTQNIDTLEQVAGIQRIIQCHGSFATASCLICKYKVDCEAVRGDIFNQVVPRCPRCPADEPLAIMKPEIVFFGENLPEQFHRAMKYDKDEVDLLIVIGSSLKVRPVALIPSSIPHEVPQILINREPLPHLHFDVELLGDCDVIINELCHRLGGEYAKLCCNPVKLSEITEKPPRTQKELAYLSELPPTPLHVSEDSSSPERTSPPDSSVIVTLLDQAAKSNDDLDVSESKGCMEEKPQEVQTSRNVESIAEQMENPDLKNVGSSTGEKNERTSVAGTVRKCWPNRVAKEQISRRLDGNQYLFLPPNRYIFHGAEVYSDSEDDVLSSSSCGSNSDSGTCQSPSLEEPMEDESEIEEFYNGLEDEPDVPERAGGAGFGTDGDDQEAINEAISVKQEVTDMNYPSNKS,sabio,Q96EB6,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>*C(N)C(=O)NC(*)C(=O)NC(*)C(=O)O.CC(=O)O[C@H]1C(O)O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O.NC(=O)c1cccnc1,0.039,15.567020323579872,37.0,7.5,3.5.1.-,9606.0,-1.408935392973501,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,*C(N)C(=O)NC(*)C(=O)NC(*)C(=O)O.CC(=O)O[C@H]1C(O)O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O.NC(=O)c1cccnc1,-1.408935392973501,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1__MADEAALALQPGGSPSAAGADREAASSPAGEPLRKRPRRDGPGLERSPGEPGGAAPEREVPAAARGCPGAAAAALWREAEAEAAAAGGEQEAQATAAAGEGDNGPGLQGPSREPPLADNLYDEDDDDEGEEEEEAAAAAIGYRDNLLFGDEIITNGFHSCESDEEDRASHASSSDWTPRPRIGPYTFVQQHLMIGTDPRTILKDLLPETIPPPELDDMTLWQIVINILSEPPKRKKRKDINTIEDAVKLLQECKKIIVLTGAGVSVSCGIPDFRSRDGIYARLAVDFPDLPDPQAMFDIEYFRKDPRPFFKFAKEIYPGQFQPSLCHKFIALSDKEGKLLRNYTQNIDTLEQVAGIQRIIQCHGSFATASCLICKYKVDCEAVRGDIFNQVVPRCPRCPADEPLAIMKPEIVFFGENLPEQFHRAMKYDKDEVDLLIVIGSSLKVRPVALIPSSIPHEVPQILINREPLPHLHFDVELLGDCDVIINELCHRLGGEYAKLCCNPVKLSEITEKPPRTQKELAYLSELPPTPLHVSEDSSSPERTSPPDSSVIVTLLDQAAKSNDDLDVSESKGCMEEKPQEVQTSRNVESIAEQMENPDLKNVGSSTGEKNERTSVAGTVRKCWPNRVAKEQISRRLDGNQYLFLPPNRYIFHGAEVYSDSEDDVLSSSSCGSNSDSGTCQSPSLEEPMEDESEIEEFYNGLEDEPDVPERAGGAGFGTDGDDQEAINEAISVKQEVTDMNYPSNKS,./data/raw/alphafold//AF-Q96EB6-F1-model_v4.pdb,2599,5070,2181,5056
+538,8595,8727,MATLVSNWSTNNVSESFKAPLEKRAEKDVPLGNDVPIIDLQQDHHLVVQQITKACQDFGLFQVINHGFPEKLMAETMKVCKEFFALPAEEKEKLQPKGKPAKFELPLEQKAKLYIEGEQLSNGELFYWKDTLAHGCHPLDEELVNSWPEKPATYREVVSKYSVEVRKLTMRMLDYICEGLGLKLGYFDNELSQIQMMLANYYPPCPDPSSTLGSGAHYDGNVITLLQQDLPGLQQLIVKDDNWIAVEPIPTAFVVNLGLTLKVITNEKFEGSIHRVVTNPTRDRVSIATLIGPDYSCTIEPAKELLSQDNPPLYKPYPYAEFAEIYLSDKSGYDAGVKPYKINA,brenda,A2IBI0,CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2.O=C(O)CCC(=O)C(=O)O.O=O>>CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2.O=C(O)CCC(=O)O.O=C=O,1.0,6.0733911781721545e-15,35.0,8.0,1.14.11.11,402998.0,0.0,CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2.O=C(O)CCC(=O)C(=O)O.O=O,CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2.O=C(O)CCC(=O)O.O=C=O,0.0,CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2.O=C(O)CCC(=O)C(=O)O.O=O__MATLVSNWSTNNVSESFKAPLEKRAEKDVPLGNDVPIIDLQQDHHLVVQQITKACQDFGLFQVINHGFPEKLMAETMKVCKEFFALPAEEKEKLQPKGKPAKFELPLEQKAKLYIEGEQLSNGELFYWKDTLAHGCHPLDEELVNSWPEKPATYREVVSKYSVEVRKLTMRMLDYICEGLGLKLGYFDNELSQIQMMLANYYPPCPDPSSTLGSGAHYDGNVITLLQQDLPGLQQLIVKDDNWIAVEPIPTAFVVNLGLTLKVITNEKFEGSIHRVVTNPTRDRVSIATLIGPDYSCTIEPAKELLSQDNPPLYKPYPYAEFAEIYLSDKSGYDAGVKPYKINA,./data/raw/alphafold//AF-A2IBI0-F1-model_v4.pdb,3459,2367,1088,3004
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+567,19544,19830,MPFHAEPLKPSDEIDMDLGHSVAAQKFKEIREVLEGNRYWARKVTSEEPEFMAEQVKGQAPNFLWIGCADSRVPEVTIMARKPGDVFVQRNVANQFKPEDDSSQALLNYAIMNVGVTHVMVVGHTGCGGCIAAFDQPLPTEENPGGTPLVRYLEPIIRLKHSLPEGSDVNDLIKENVKMAVKNVVNSPTIQGAWEQARKGEFREVFVHGWLYDLSTGNIVDLNVTQGPHPFVDDRVPRA,sabio,Q3I4V7,O.O=C=O>>O=C(O)O,390000.0,5.682159936665122e-15,25.0,,4.2.1.1,5207.0,5.5910646070265,O.O=C=O,O=C(O)O,5.832508912706237,O.O=C=O__MPFHAEPLKPSDEIDMDLGHSVAAQKFKEIREVLEGNRYWARKVTSEEPEFMAEQVKGQAPNFLWIGCADSRVPEVTIMARKPGDVFVQRNVANQFKPEDDSSQALLNYAIMNVGVTHVMVVGHTGCGGCIAAFDQPLPTEENPGGTPLVRYLEPIIRLKHSLPEGSDVNDLIKENVKMAVKNVVNSPTIQGAWEQARKGEFREVFVHGWLYDLSTGNIVDLNVTQGPHPFVDDRVPRA,./data/raw/alphafold//AF-Q3I4V7-F1-model_v4.pdb,299,2839,5161,6024
+583,17100,17330,MSKKTIAVIGSGAAALSLAAAFPPSYEVTVITKKSVKNSNSVYAQGGIAAAYAKDDSIEAHLEDTLYAGCGHNNLAIVADVLHDGKMMVQSLLERGFPFDRNERGGVCLGREGAHSYNRIFHAGGDATGRLLIDYLLKRINSKIKLIENETAADLLIEDGRCIGVMTKDSKGRLKVRHADEVVLAAGGCGNLFLHHTNDLTVTGDGLSLAYRAGAELTDLEFTQFHPTLLVKNGVSYGLVSEAVRGEGGCLVDENGRRIMAERHPLGDLAPRDIVSRVIHEEMAKGNRVYIDFSAISDFETRFPTITAICEKAGIDIHSGKIPVAPGMHFLMGGVSVNRWGETTVPGLYAIGETACSGLHGANRLASNSLLEALVFGKRAAEHIIQKPVYNRQYQSGLETSVFYEVPDIEGHELQSKMTSHMSILREQSSLIELSIWLHTLPFQEVNVKDITIRQMELSHLWQTAKLMTFSALLREESRGAHFRTDFPHAEVSWQGRQIVHTKKGTKIRKNEGIWNNESFTAEKITESLFS,brenda,P38032,N[C@@H](CC(=O)O)C(=O)O.O.O=C(O)/C=C/C(=O)O>>N.O=C(O)CC(=O)C(=O)O.O=C(O)CCC(=O)O,0.5,0.0,25.0,7.5,1.4.3.16,1423.0,-0.3010299956639812,N[C@@H](CC(=O)O)C(=O)O.O.O=C(O)/C=C/C(=O)O,N.O=C(O)CC(=O)C(=O)O.O=C(O)CCC(=O)O,-0.3010299956639812,N[C@@H](CC(=O)O)C(=O)O.O.O=C(O)/C=C/C(=O)O__MSKKTIAVIGSGAAALSLAAAFPPSYEVTVITKKSVKNSNSVYAQGGIAAAYAKDDSIEAHLEDTLYAGCGHNNLAIVADVLHDGKMMVQSLLERGFPFDRNERGGVCLGREGAHSYNRIFHAGGDATGRLLIDYLLKRINSKIKLIENETAADLLIEDGRCIGVMTKDSKGRLKVRHADEVVLAAGGCGNLFLHHTNDLTVTGDGLSLAYRAGAELTDLEFTQFHPTLLVKNGVSYGLVSEAVRGEGGCLVDENGRRIMAERHPLGDLAPRDIVSRVIHEEMAKGNRVYIDFSAISDFETRFPTITAICEKAGIDIHSGKIPVAPGMHFLMGGVSVNRWGETTVPGLYAIGETACSGLHGANRLASNSLLEALVFGKRAAEHIIQKPVYNRQYQSGLETSVFYEVPDIEGHELQSKMTSHMSILREQSSLIELSIWLHTLPFQEVNVKDITIRQMELSHLWQTAKLMTFSALLREESRGAHFRTDFPHAEVSWQGRQIVHTKKGTKIRKNEGIWNNESFTAEKITESLFS,./data/raw/alphafold//AF-P38032-F1-model_v4.pdb,2747,5290,2550,5370
+584,8441,8572,MGVSLTLPGAILRFSLSIMCFLLHLASATASNAGAITRHYEFSIKLQNVTRLCHTKSIVTANGKFPGPRIVAREGDRLLIKVINHVPNNIPIHWHGIRQLRSGWADGPAYITQCPIQTGQSYVYNYTIVGQRGTLFWHAHISWLRSTLYGPIIILPKLNVPYPFPKPHKEVPIIFGEWFNADTEAIITQALQTGGGPNVSDAYTFNGLPGPLYNCSSKDTFKLKVKPGKTYLLRFINAALNDELFFGIANHSLTVVEVDAIYVKPFETETILLTPGQTTNVLLKTKPNYPEASFLMTARPYVTGSGTFDNSTVAGVLEYKGSSHHSTKKLPLFKPTLPSLNDTSFAANFSKKLRSLATAQFPANVPKKVDKQFFFTVGLGTSPCDLKNQTCQGPNGTRLAASINNISFIQPTTSLLQSHFLGQSDGVYKPDFPVSPLQWFNYTGNPPNNTLVSNGTKLMVLPFNTSVELVMQDTSILGAESHPLHLHGFNFFVVGQGFGDYNPNVDPRSFNLVDPVERNTVGVPSGGWVAIRFLADNPGVWFMHCHLEVHTSWGLKMAWLVLDGKLSNQKLLPPPADLPKC,brenda,A0A0U2US60,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>O,0.012988,93.45349114727436,30.0,2.8,1.10.3.2,4039.0,-1.886457720046036,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,O,-1.886457720046036,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O__MGVSLTLPGAILRFSLSIMCFLLHLASATASNAGAITRHYEFSIKLQNVTRLCHTKSIVTANGKFPGPRIVAREGDRLLIKVINHVPNNIPIHWHGIRQLRSGWADGPAYITQCPIQTGQSYVYNYTIVGQRGTLFWHAHISWLRSTLYGPIIILPKLNVPYPFPKPHKEVPIIFGEWFNADTEAIITQALQTGGGPNVSDAYTFNGLPGPLYNCSSKDTFKLKVKPGKTYLLRFINAALNDELFFGIANHSLTVVEVDAIYVKPFETETILLTPGQTTNVLLKTKPNYPEASFLMTARPYVTGSGTFDNSTVAGVLEYKGSSHHSTKKLPLFKPTLPSLNDTSFAANFSKKLRSLATAQFPANVPKKVDKQFFFTVGLGTSPCDLKNQTCQGPNGTRLAASINNISFIQPTTSLLQSHFLGQSDGVYKPDFPVSPLQWFNYTGNPPNNTLVSNGTKLMVLPFNTSVELVMQDTSILGAESHPLHLHGFNFFVVGQGFGDYNPNVDPRSFNLVDPVERNTVGVPSGGWVAIRFLADNPGVWFMHCHLEVHTSWGLKMAWLVLDGKLSNQKLLPPPADLPKC,./data/raw/alphafold//AF-A0A0U2US60-F1-model_v4.pdb,3427,2320,1033,2931
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+934,16227,16454,MALVVQKYGGTSVGDLERIHKVAQRIAHYREKGHRLAVVVSAMGHTTDELIALAKRVNPRPPFRELDLLTTTGEQVSVALLSMQLWAMGIPAKGFVQHQIGITTDGRYGDARILEVNPARIREALDQGFVAVIAGFMGTTPEGEITTLGRGGSDTTAVAIAAALGAKECEIYTDTEGVYTTDPHLIPEARKLSVIGYDQMLEMAALGARVLHPRAVYYAKRYGVVLHVRSSFSYNPGTLVKEVAMEMDKAVTGVALDLDHAQIGLIGIPDQPGIAAKVFQALAERGIAVDMIIQGVPGHDPSRQQMAFTVKKDFAQEALEALEPVLAEIGGEAILRPDIAKVSIVGVGLASTPEVPAKMFQAVASTGANIEMIATSEVRISVIIPAEYAEAALRAVHQAFELDKA,sabio,P61489,NC(CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>NC(CC(=O)OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,90000.0,0.0,60.0,7.5,2.7.2.4,274.0,4.954242509439325,NC(CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,NC(CC(=O)OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,4.954242509439325,NC(CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O__MALVVQKYGGTSVGDLERIHKVAQRIAHYREKGHRLAVVVSAMGHTTDELIALAKRVNPRPPFRELDLLTTTGEQVSVALLSMQLWAMGIPAKGFVQHQIGITTDGRYGDARILEVNPARIREALDQGFVAVIAGFMGTTPEGEITTLGRGGSDTTAVAIAAALGAKECEIYTDTEGVYTTDPHLIPEARKLSVIGYDQMLEMAALGARVLHPRAVYYAKRYGVVLHVRSSFSYNPGTLVKEVAMEMDKAVTGVALDLDHAQIGLIGIPDQPGIAAKVFQALAERGIAVDMIIQGVPGHDPSRQQMAFTVKKDFAQEALEALEPVLAEIGGEAILRPDIAKVSIVGVGLASTPEVPAKMFQAVASTGANIEMIATSEVRISVIIPAEYAEAALRAVHQAFELDKA,./data/raw/alphafold//AF-P61489-F1-model_v4.pdb,2624,5109,2227,5109
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+941,19993,20279,MTFAKGILAALALAAAVGQASATELEHWPAPAARQLNALIEANANKGAYAVFDMDNTSYRYDLEESLLPYLEMKGVLTRDRLDPSLKLIPFKDQAGHKESLFSYYYRLCEIDDMVCYPWVAQVFSGFTLRELKGYVDELMAYGKPIPATYYDGDKLATLDVEPPRVFSGQRELYNKLMENGIEVYVISAAHEELVRMVAADPRYGYNAKPENVIGVTTLLKNRKTGELTTARKQIAEGKYDPKANLDLEVTPYLWTPATWMAGKQAAILTYIDRWKRPILVAGDTPDSDGYMLFNGTAENGVHLWVNRKAKYMEQINGMIKQHSAAQAKAGLPVTADRNWVIVTPEQIQ,brenda,Q9HTR2,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,83.0,0.0,37.0,5.35,3.1.3.75,287.0,1.919078092376074,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,1.9400181550076632,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1__MTFAKGILAALALAAAVGQASATELEHWPAPAARQLNALIEANANKGAYAVFDMDNTSYRYDLEESLLPYLEMKGVLTRDRLDPSLKLIPFKDQAGHKESLFSYYYRLCEIDDMVCYPWVAQVFSGFTLRELKGYVDELMAYGKPIPATYYDGDKLATLDVEPPRVFSGQRELYNKLMENGIEVYVISAAHEELVRMVAADPRYGYNAKPENVIGVTTLLKNRKTGELTTARKQIAEGKYDPKANLDLEVTPYLWTPATWMAGKQAAILTYIDRWKRPILVAGDTPDSDGYMLFNGTAENGVHLWVNRKAKYMEQINGMIKQHSAAQAKAGLPVTADRNWVIVTPEQIQ,./data/raw/alphafold//AF-Q9HTR2-F1-model_v4.pdb,409,2981,5323,6200
+942,19500,19786,MSSLNQLVSGLASGAVRIVDLTHTLDPDFPVIVLPPEFGQCARFRMEEISAYDHRGPAWKWHNISMSEHTGTHFDAPSHWISGKDVPNGSVDEIPAEAFVGPVVVIDCSKGAAENDDFELTPEIIAGWESEHGRIPEDAWVLMRTDWSKRRGADYLNMRADGPHSPGPTPEAIRFLIEERNIRGFGTETVGTDAGQGAHYVPPYPAHYLLHGAGKYGLQCLANLDQLPATGAVLIAAPLKIKNGTGSPLRVLAMVTE,brenda,A0P0F0,O.O=C1Nc2ccccc2C1=O>>Nc1ccccc1C(=O)C(=O)O,80.0,8.578947355357151e-15,40.0,8.15,3.5.2.20,187304.0,1.9030899869919435,O.O=C1Nc2ccccc2C1=O,Nc1ccccc1C(=O)C(=O)O,1.9030899869919435,O.O=C1Nc2ccccc2C1=O__MSSLNQLVSGLASGAVRIVDLTHTLDPDFPVIVLPPEFGQCARFRMEEISAYDHRGPAWKWHNISMSEHTGTHFDAPSHWISGKDVPNGSVDEIPAEAFVGPVVVIDCSKGAAENDDFELTPEIIAGWESEHGRIPEDAWVLMRTDWSKRRGADYLNMRADGPHSPGPTPEAIRFLIEERNIRGFGTETVGTDAGQGAHYVPPYPAHYLLHGAGKYGLQCLANLDQLPATGAVLIAAPLKIKNGTGSPLRVLAMVTE,./data/raw/alphafold//AF-A0P0F0-F1-model_v4.pdb,282,2818,5140,6001
+946,2461,2496,MAPMVISDKDEMRKWSRSMRSQGKLIALVPTMGFLHEGHLSLVRDAHNHADLVAVSIYVNPGQFSPTEDLSAYPSDFQGDLQKLMSVPGGVDVVFHPHNLYDYGGDGGDAVAECGGDGVVSCVDRRSGFGHETWVRAEKLEKPLCGKSRPVFFRGVATIVTKLFNIVEPDVAVFGKKDYQQWKIIQRMVRDLDFSIKVIGSEVIREKDGLAMSSRNVYLSPEEREKAVSINKSLFRAKSAAEDGQIHCEKLINLVVQSITEAGGRIDYAEIVDQNNLEKVEWIKGPVVFCVSAWFGKARLIDNIEINL,brenda,O24035,CC(C)(CO)[C@@H](O)C(=O)O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCC(=O)O>>CC(C)(CO)[C@@H](O)C(O)=NCCC(=O)O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OP(=O)(O)O,6.08,0.0,25.0,8.0,6.3.2.1,34305.0,0.7839035792727349,CC(C)(CO)[C@@H](O)C(=O)O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCC(=O)O,CC(C)(CO)[C@@H](O)C(O)=NCCC(=O)O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OP(=O)(O)O,0.7839035792727349,CC(C)(CO)[C@@H](O)C(=O)O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCC(=O)O__MAPMVISDKDEMRKWSRSMRSQGKLIALVPTMGFLHEGHLSLVRDAHNHADLVAVSIYVNPGQFSPTEDLSAYPSDFQGDLQKLMSVPGGVDVVFHPHNLYDYGGDGGDAVAECGGDGVVSCVDRRSGFGHETWVRAEKLEKPLCGKSRPVFFRGVATIVTKLFNIVEPDVAVFGKKDYQQWKIIQRMVRDLDFSIKVIGSEVIREKDGLAMSSRNVYLSPEEREKAVSINKSLFRAKSAAEDGQIHCEKLINLVVQSITEAGGRIDYAEIVDQNNLEKVEWIKGPVVFCVSAWFGKARLIDNIEINL,./data/raw/alphafold//AF-O24035-F1-model_v4.pdb,1617,1207,1683,1411
+955,6496,6609,MDGVLWRVRTAALMAALLALAAWALVWASPSVEAQSNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSLTFGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDYPDSRASQLSAALNYLRTSSPSAVRARLDANRLAVAGHSMGGGGTLRIAEQNPSLKAAVPLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQHAIPFYQNLPSTTPKVYVELDNASHFAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALSDFRTNNRHCQ,sabio,G9BY57,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,318.0,0.0,70.0,8.0,3.1.1.-,2725.0,2.502427119984433,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,2.55509444857832,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O__MDGVLWRVRTAALMAALLALAAWALVWASPSVEAQSNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSLTFGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDYPDSRASQLSAALNYLRTSSPSAVRARLDANRLAVAGHSMGGGGTLRIAEQNPSLKAAVPLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQHAIPFYQNLPSTTPKVYVELDNASHFAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALSDFRTNNRHCQ,./data/raw/alphafold//AF-G9BY57-F1-model_v4.pdb,3246,2062,3713,2567
+957,8822,8961,MLRAVLLPTLLAFGAFTPVHGANSPGCGKQPTLTNGVNQINGREYVLKIPDGYDPSKPHHLIFGLHWRGGNMYNVVNGDSIQPWYGLEARAQGSAIFVAPNGLNAGWANTNGEDVAFIDAIMEQVEDDLCVDQASRFATGFSWGGGMSYALACARAAEFRAVSVLSGGLISGCDGGNDPIAYLGIHGINDPVLPLDGGVTLANTFVSNNGCQPTDIGQPASGSGGSVRTDFSGCSHPVSFIAYDGGHDGAPLGVGSSLAPDATWEFFMAA,brenda,Q5B2G3,COC(=O)/C=C/c1ccc(O)c(OC)c1.O>>CO.COc1cc(/C=C/C(=O)O)ccc1O,10.1,1.2535597469392408e-14,37.0,7.0,3.1.1.73,162425.0,1.0043213737826426,COC(=O)/C=C/c1ccc(O)c(OC)c1.O,CO.COc1cc(/C=C/C(=O)O)ccc1O,1.0043213737826426,COC(=O)/C=C/c1ccc(O)c(OC)c1.O__MLRAVLLPTLLAFGAFTPVHGANSPGCGKQPTLTNGVNQINGREYVLKIPDGYDPSKPHHLIFGLHWRGGNMYNVVNGDSIQPWYGLEARAQGSAIFVAPNGLNAGWANTNGEDVAFIDAIMEQVEDDLCVDQASRFATGFSWGGGMSYALACARAAEFRAVSVLSGGLISGCDGGNDPIAYLGIHGINDPVLPLDGGVTLANTFVSNNGCQPTDIGQPASGSGGSVRTDFSGCSHPVSFIAYDGGHDGAPLGVGSSLAPDATWEFFMAA,./data/raw/alphafold//AF-Q5B2G3-F1-model_v4.pdb,3501,3421,1159,3079
+983,7311,7433,MPSIRLADLAQQLDAELHGDGDIVITGVASMQSAQTGHITFMVNPKYREHLGLCQASAVVMTQDDLPFAKSAALVVKNPYLTYARMAQILDTTPQPAQNIAPSAVIDATAKLGNNVSIGANAVIESGVELGDNVIIGAGCFVGKNSKIGAGSRLWANVTIYHEIQIGQNCLIQSGTVVGADGFGYANDRGNWVKIPQIGRVIIGDRVEIGACTTIDRGALDDTIIGNGVIIDNQCQIAHNVVIGDNTAVAGGVIMAGSLKIGRYCMIGGASVINGHMEICDKVTVTGMGMVMRPITEPGVYSSGIPLQPNKVWRKTAALVMNIDDMSKRLKSLERKVNQQD,sabio,P21645,CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C1O>>*S.CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCC,23.0,14.07073795240346,30.0,7.5,2.3.1.191,562.0,1.3617278360175928,CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C1O,*S.CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCC,1.3617278360175928,CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C1O__MPSIRLADLAQQLDAELHGDGDIVITGVASMQSAQTGHITFMVNPKYREHLGLCQASAVVMTQDDLPFAKSAALVVKNPYLTYARMAQILDTTPQPAQNIAPSAVIDATAKLGNNVSIGANAVIESGVELGDNVIIGAGCFVGKNSKIGAGSRLWANVTIYHEIQIGQNCLIQSGTVVGADGFGYANDRGNWVKIPQIGRVIIGDRVEIGACTTIDRGALDDTIIGNGVIIDNQCQIAHNVVIGDNTAVAGGVIMAGSLKIGRYCMIGGASVINGHMEICDKVTVTGMGMVMRPITEPGVYSSGIPLQPNKVWRKTAALVMNIDDMSKRLKSLERKVNQQD,./data/raw/alphafold//AF-P21645-F1-model_v4.pdb,3304,2148,3825,2690
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+1244,7150,7271,MAPHRLRRLIPASVALTTVCAALPTSSAYAADTPPTPHLDSIERSLRETSPGLEGSVWQRTNGNRLDAPGDDPAGWLLQTPGCWGDPACKDRAGSRRLLDKMTRNIADAKRTVDISSLAPFPNGGFEDAIVAGLKASVAAGHSPRVRILVGAAPLYHLNVIPSRYRDELLGKLGSAAGKVTLNVASMTTSKTSFSWNHSKLLVVDGTTAVTGGINGWKDDYLDTTHPVSDVDMALTGPAARSAGKYLDTLWDWTCQNSSNPAKVWLATSNGASCMPSLEKEEDSTPAAPAGDVPVLAVGGLGVGIKESDPSSGYHPELPTAPDTKCTVGLHDNTNADRDYDTVNPEETALRSLIASARSHVEISQQDMNATCWPLPRYDIRTYDTLAAKLAAGVKVRIVVGDPANRGAVGSGGYSQIKSLDEISDTLRKRLVARTGDNEKASRAMCSNLQLASFRSSDSPTWADGKPYALHHKLVSVDDSAFYIGSKNLYPAWLQDFGYIVESPSAAKQLKTELLDPEWKYSQGAASTPAGCSGNGAG,brenda,A0A0E4B8Q4,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C.O>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O.C[N+](C)(C)CCO,4000.0,2.1873678074332173e-14,37.0,5.0,3.1.4.3,936074.0,3.6020599913279625,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C.O,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O.C[N+](C)(C)CCO,3.6020599913279625,CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C.O__MAPHRLRRLIPASVALTTVCAALPTSSAYAADTPPTPHLDSIERSLRETSPGLEGSVWQRTNGNRLDAPGDDPAGWLLQTPGCWGDPACKDRAGSRRLLDKMTRNIADAKRTVDISSLAPFPNGGFEDAIVAGLKASVAAGHSPRVRILVGAAPLYHLNVIPSRYRDELLGKLGSAAGKVTLNVASMTTSKTSFSWNHSKLLVVDGTTAVTGGINGWKDDYLDTTHPVSDVDMALTGPAARSAGKYLDTLWDWTCQNSSNPAKVWLATSNGASCMPSLEKEEDSTPAAPAGDVPVLAVGGLGVGIKESDPSSGYHPELPTAPDTKCTVGLHDNTNADRDYDTVNPEETALRSLIASARSHVEISQQDMNATCWPLPRYDIRTYDTLAAKLAAGVKVRIVVGDPANRGAVGSGGYSQIKSLDEISDTLRKRLVARTGDNEKASRAMCSNLQLASFRSSDSPTWADGKPYALHHKLVSVDDSAFYIGSKNLYPAWLQDFGYIVESPSAAKQLKTELLDPEWKYSQGAASTPAGCSGNGAG,./data/raw/alphafold//AF-A0A0E4B8Q4-F1-model_v4.pdb,3295,2133,3806,2670
+1258,23123,23465,MDPCKFRPSSSFDTKTTTTNAGAPVWNDNEALTVGPRGPILLEDYHLIEKVAHFARERIPERVVHARGASAKGFFECTHDVTDITCADFLRSPGAQTPVIVRFSTVIHERGSPETIRDPRGFAVKFYTREGNWDLLGNNFPVFFIRDGIKFPDVIHAFKPNPRSHVQEYWRVFDFLSHHPESLHTFFFLFDDVGIPTDYRHMDGFGVNTYTFVTRDAKARYVKFHWKPTCGVSCLMDDEATLVGGKNHSHATQDLYDSIAAGNFPEWKLFVQVIDPEEEERFDFDPLDDTKTWPEDEVPLRPVGRLVLNRNVDNFFNENEQLAFGPGLVVPGIYYSDDKMLQCRVFAYADTQRYRLGPNYLMLPVNAPKCAHHNNHYDGAMNFMHRDEEVDYYPSRHAPLRHAPPTPITPRPVVGRRQKATIRKQNDFKQPGERYRSWAPDRQERFIRRFAGELAHPKVSPELRAIWVNYLSQCDESLGVKIANRLNVKPSM,brenda,A3REN3,OO>>O,80000.0,30.17028418412567,25.0,7.0,1.11.1.6,4530.0,4.903089986991944,OO,O,4.903089986991944,OO__MDPCKFRPSSSFDTKTTTTNAGAPVWNDNEALTVGPRGPILLEDYHLIEKVAHFARERIPERVVHARGASAKGFFECTHDVTDITCADFLRSPGAQTPVIVRFSTVIHERGSPETIRDPRGFAVKFYTREGNWDLLGNNFPVFFIRDGIKFPDVIHAFKPNPRSHVQEYWRVFDFLSHHPESLHTFFFLFDDVGIPTDYRHMDGFGVNTYTFVTRDAKARYVKFHWKPTCGVSCLMDDEATLVGGKNHSHATQDLYDSIAAGNFPEWKLFVQVIDPEEEERFDFDPLDDTKTWPEDEVPLRPVGRLVLNRNVDNFFNENEQLAFGPGLVVPGIYYSDDKMLQCRVFAYADTQRYRLGPNYLMLPVNAPKCAHHNNHYDGAMNFMHRDEEVDYYPSRHAPLRHAPPTPITPRPVVGRRQKATIRKQNDFKQPGERYRSWAPDRQERFIRRFAGELAHPKVSPELRAIWVNYLSQCDESLGVKIANRLNVKPSM,./data/raw/alphafold//AF-A3REN3-F1-model_v4.pdb,868,354,6126,7069
+1263,12227,12395,MIVTQIAGKIQVIFGPMFSGKTTELIRRIKRFNFANKKCLLIKYSKDTRYNDNIDKSFLVTHDKQNYQAFPCSILEDVKEQAQNYDVIGIDEGQFFPDVVQFSEDLANQGKTVIIAALDGTFQRKPFQSVIDLVSKAEYITKLTAVCMVCYNEAAFSKRIVESDDIELIGGIDKYISVCRGCYNSDQNEGNSTKPSKTARHSHSQSAPSVAPLAVNINPDDHLNNDY,sabio,Q27564,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,7.5,0.0,22.0,8.0,2.7.1.21,44689.0,0.8750612633917001,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,0.8750612633917001,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O__MIVTQIAGKIQVIFGPMFSGKTTELIRRIKRFNFANKKCLLIKYSKDTRYNDNIDKSFLVTHDKQNYQAFPCSILEDVKEQAQNYDVIGIDEGQFFPDVVQFSEDLANQGKTVIIAALDGTFQRKPFQSVIDLVSKAEYITKLTAVCMVCYNEAAFSKRIVESDDIELIGGIDKYISVCRGCYNSDQNEGNSTKPSKTARHSHSQSAPSVAPLAVNINPDDHLNNDY,./data/raw/alphafold//AF-Q27564-F1-model_v4.pdb,2017,4178,4047,3894
+1269,12228,12396,MNGGHIQLIIGPMFSGKSTELIRRVRRYQIAQYKCVTIKYSNDNRYGTGLWTHDKNNFEALEATKLCDVLESITDFSVIGIDEGQFFPDIVEFCERMANEGKIVIVAALDGTFQRKPFNNILNLIPLSEMVVKLTAVCMKCFKEASFSKRLGEETEIEIIGGNDMYQSVCRKCYIDS,sabio,P68563,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,0.2,0.0,37.0,8.0,2.7.1.21,10245.0,-0.6989700043360187,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,-0.6989700043360187,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O__MNGGHIQLIIGPMFSGKSTELIRRVRRYQIAQYKCVTIKYSNDNRYGTGLWTHDKNNFEALEATKLCDVLESITDFSVIGIDEGQFFPDIVEFCERMANEGKIVIVAALDGTFQRKPFNNILNLIPLSEMVVKLTAVCMKCFKEASFSKRLGEETEIEIIGGNDMYQSVCRKCYIDS,./data/raw/esmfold//ESMFold-P68563-v1.pdb,2018,4179,4048,3895
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+1305,5933,6027,MSNNHVSALQEKELDVYPSRVHAEPRILKRQDPVVHSEWSPDAALTQEQSDFYERNGYLFLEDFFGREELSKYQAEARSLQVTASEADKDEVIREPGGNEVRSVFAVHESHEVFKKLSQHPRLLAIMEYLLGGETYIHQSRINYKPGFTGKEFYWHSDFETWHVEDGMPRMRALSCSIALEDNYPYNGPLMVVPGSHKEFVACIGQTPEDHFKDSLRKQEYGVPDHDSLTRMVKKGGIDTPVGKAGSIVIFDCNIMHGSNSNITPMPRSNIFMVYNSVENKVKQPYSGQKPRPEYIATRDSQ,brenda,A0A1R1AUM9,CC1=NCC[C@@H](C(=O)O)N1.O=C(O)CCC(=O)C(=O)O.O=O>>CC1=NC[C@H](O)[C@@H](C(=O)O)N1.O=C(O)CCC(=O)O.O=C=O,1.6,8.860905687973966e-15,32.0,7.5,1.14.11.55,1401.0,0.2041199826559248,CC1=NCC[C@@H](C(=O)O)N1.O=C(O)CCC(=O)C(=O)O.O=O,CC1=NC[C@H](O)[C@@H](C(=O)O)N1.O=C(O)CCC(=O)O.O=C=O,0.2041199826559248,CC1=NCC[C@@H](C(=O)O)N1.O=C(O)CCC(=O)C(=O)O.O=O__MSNNHVSALQEKELDVYPSRVHAEPRILKRQDPVVHSEWSPDAALTQEQSDFYERNGYLFLEDFFGREELSKYQAEARSLQVTASEADKDEVIREPGGNEVRSVFAVHESHEVFKKLSQHPRLLAIMEYLLGGETYIHQSRINYKPGFTGKEFYWHSDFETWHVEDGMPRMRALSCSIALEDNYPYNGPLMVVPGSHKEFVACIGQTPEDHFKDSLRKQEYGVPDHDSLTRMVKKGGIDTPVGKAGSIVIFDCNIMHGSNSNITPMPRSNIFMVYNSVENKVKQPYSGQKPRPEYIATRDSQ,./data/raw/alphafold//AF-A0A1R1AUM9-F1-model_v4.pdb,3181,1979,3624,2463
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+1384,9182,9324,MSEQNNAVLPKGVTQGEFNKAVQKFRALLGDDNVLVESDQLVPYNKIMMPVENAAHAPSAAVTATTVEQVQGVVKICNEHKIPIWTISTGRNFGYGSAAPVQRGQVILDLKKMNKIIKIDPEMCYALVEPGVTFGQMYDYIQENNLPVMLSFSAPSAIAGPVGNTMDRGVGYTPYGEHFMMQCGMEVVLANGDVYRTGMGGVPGSNTWQIFKWGYGPTLDGMFTQANYGICTKMGFWLMPKPPVFKPFEVIFEDEADIVEIVDALRPLRMSNTIPNSVVIASTLWEAGSAHLTRAQYTTEPGHTPDSVIKQMQKDTGMGAWNLYAALYGTQEQVDVNWKIVTDVFKKLGKGRIVTQEEAGDTQPFKYRAQLMSGVPNLQEFGLYNWRGGGGSMWFAPVSEARGSECKKQAAMAKRVLHKYGLDYVAEFIVAPRDMHHVIDVLYDRTNPEETKRADACFNELLDEFEKEGYAVYRVNTRFQDRVAQSYGPVKRKLEHAIKRAVDPNNILAPGRSGIDLNNDF,uniprot_search,P09788,COS(=O)(=O)[O-].C[n+]1c2ccccc2nc2ccccc21.Cc1ccc(O)cc1.O>>CN1c2ccccc2Nc2ccccc21.COS(=O)(=O)O.OCc1ccc(O)cc1,121.0,0.0,25.0,8.65,1.17.9.1,303.0,2.0827853703164503,COS(=O)(=O)[O-].C[n+]1c2ccccc2nc2ccccc21.Cc1ccc(O)cc1.O,CN1c2ccccc2Nc2ccccc21.COS(=O)(=O)O.OCc1ccc(O)cc1,2.0827853703164503,COS(=O)(=O)[O-].C[n+]1c2ccccc2nc2ccccc21.Cc1ccc(O)cc1.O__MSEQNNAVLPKGVTQGEFNKAVQKFRALLGDDNVLVESDQLVPYNKIMMPVENAAHAPSAAVTATTVEQVQGVVKICNEHKIPIWTISTGRNFGYGSAAPVQRGQVILDLKKMNKIIKIDPEMCYALVEPGVTFGQMYDYIQENNLPVMLSFSAPSAIAGPVGNTMDRGVGYTPYGEHFMMQCGMEVVLANGDVYRTGMGGVPGSNTWQIFKWGYGPTLDGMFTQANYGICTKMGFWLMPKPPVFKPFEVIFEDEADIVEIVDALRPLRMSNTIPNSVVIASTLWEAGSAHLTRAQYTTEPGHTPDSVIKQMQKDTGMGAWNLYAALYGTQEQVDVNWKIVTDVFKKLGKGRIVTQEEAGDTQPFKYRAQLMSGVPNLQEFGLYNWRGGGGSMWFAPVSEARGSECKKQAAMAKRVLHKYGLDYVAEFIVAPRDMHHVIDVLYDRTNPEETKRADACFNELLDEFEKEGYAVYRVNTRFQDRVAQSYGPVKRKLEHAIKRAVDPNNILAPGRSGIDLNNDF,./data/raw/alphafold//AF-P09788-F1-model_v4.pdb,3393,3459,1204,3131
+1389,7342,7464,MADNNSPPGSVEQKADQIVEANPLVKDDTSLETIVRRFQDSMSEAKTHKFWETQPVGQFKDIGDTSLPEGPIEPATPLSEVKQEPYNLPSVYEWTTCDMNSDDMCSEVYNLLKNNYVEDDENMFRFNYSKEFLRWALRPPGYYQSWHIGVRAKTSKKLVAFISGVPARIRVRDEVVKMAEINFLCVHKKLRSKRLAPVMIKEVTRRVHLENIWQAAYTAGVILPTPITTCQYWHRSLNPKKLIDVGFSRLGARMTMSRTIKLYKLPDAPITPGFRKMEPRDVPAVTRLLRNYLSQFGVATDFDENDVEHWLLPREDVVDSYLVESPETHDVTDFCSFYTLPSTILGNPNYTTLKAAYSYYNVATQTSFLQLMNDALIVSKQKGFDVFNALDVMHNESFLKELKFGPGDGQLHYYLYNYRLKSALKPAELGLVLL,brenda,Q9LTR9,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)CC[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)CN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCCCC(O)=NCC(O)=NC(CO)C(O)=NC(CO)C(O)=NC(CCCCN)C(O)=NC(CO)C(O)=NC(CCCCN)C(=O)N1CCCC1C(O)=NC(CCCCN)C(O)=NC(CC(=O)O)C(=O)N1CCCC1C(O)=NC(CO)C(O)=NC(CCC(=N)O)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(=O)O,0.234,0.0,30.0,8.0,2.3.1.97,3702.0,-0.6307841425898572,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)CC[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)CN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCCCC(O)=NCC(O)=NC(CO)C(O)=NC(CO)C(O)=NC(CCCCN)C(O)=NC(CO)C(O)=NC(CCCCN)C(=O)N1CCCC1C(O)=NC(CCCCN)C(O)=NC(CC(=O)O)C(=O)N1CCCC1C(O)=NC(CO)C(O)=NC(CCC(=N)O)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(=O)O,-0.6307841425898572,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)CC[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)CN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O__MADNNSPPGSVEQKADQIVEANPLVKDDTSLETIVRRFQDSMSEAKTHKFWETQPVGQFKDIGDTSLPEGPIEPATPLSEVKQEPYNLPSVYEWTTCDMNSDDMCSEVYNLLKNNYVEDDENMFRFNYSKEFLRWALRPPGYYQSWHIGVRAKTSKKLVAFISGVPARIRVRDEVVKMAEINFLCVHKKLRSKRLAPVMIKEVTRRVHLENIWQAAYTAGVILPTPITTCQYWHRSLNPKKLIDVGFSRLGARMTMSRTIKLYKLPDAPITPGFRKMEPRDVPAVTRLLRNYLSQFGVATDFDENDVEHWLLPREDVVDSYLVESPETHDVTDFCSFYTLPSTILGNPNYTTLKAAYSYYNVATQTSFLQLMNDALIVSKQKGFDVFNALDVMHNESFLKELKFGPGDGQLHYYLYNYRLKSALKPAELGLVLL,./data/raw/alphafold//AF-Q9LTR9-F1-model_v4.pdb,3310,2155,3832,2697
+1395,12384,12554,MSDVNASLVDGKKILVTGGAGFIGCAISERLAARASRYVVMDNLHPQIHANAVRPVALHEKAELVVADVTDAGAWDALLSDFQPEIIIHLAAETGTGQSLTEASRHALVNVVGTTRLTDAIVKHGIAVEHILLTSSRAVYGEGAWQKADGTIVYPGQRGRAQLEAAQWDFPGMTMLPSRADRTEPRPTSVYGATKLAQEHVLRAWSLATKTPLSILRLQNVYGPGQSLTNSYTGIVALFSRLAREKKVIPLYEDGNVTRDFVSIDDVADAIVATLAREPEALSLFDIGSGQATSILDMARIIAAHYGAPEPQVNGAFRDGDVRHAACDLSESLANLGWKPQWSLERGIGELQTWIAQELDRKN,brenda,Q2SYH7,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)O2)c(=O)nc1O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)c(=O)nc1O,0.9,0.0,25.0,8.1,5.1.3.25,57975.0,-0.0457574905606751,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)c(=O)nc1O,-0.0457574905606751,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)O2)c(=O)nc1O__MSDVNASLVDGKKILVTGGAGFIGCAISERLAARASRYVVMDNLHPQIHANAVRPVALHEKAELVVADVTDAGAWDALLSDFQPEIIIHLAAETGTGQSLTEASRHALVNVVGTTRLTDAIVKHGIAVEHILLTSSRAVYGEGAWQKADGTIVYPGQRGRAQLEAAQWDFPGMTMLPSRADRTEPRPTSVYGATKLAQEHVLRAWSLATKTPLSILRLQNVYGPGQSLTNSYTGIVALFSRLAREKKVIPLYEDGNVTRDFVSIDDVADAIVATLAREPEALSLFDIGSGQATSILDMARIIAAHYGAPEPQVNGAFRDGDVRHAACDLSESLANLGWKPQWSLERGIGELQTWIAQELDRKN,./data/raw/alphafold//AF-Q2SYH7-F1-model_v4.pdb,2077,4261,4143,3999
+1403,18285,18545,MKGRRRRRREYCKFALLLVLYTLVLLLVPSVLDGGRDGDKGAEHCPGLQRSLGVWSLEAAAAGEREQGAEARAAEEGGANQSPRFPSNLSGAVGEAVSREKQHIYVHATWRTGSSFLGELFNQHPDVFYLYEPMWHLWQALYPGDAESLQGALRDMLRSLFRCDFSVLRLYAPPGDPAARAPDTANLTTAALFRWRTNKVICSPPLCPGAPRARAEVGLVEDTACERSCPPVAIRALEAECRKYPVVVIKDVRLLDLGVLVPLLRDPGLNLKVVQLFRDPRAVHNSRLKSRQGLLRESIQVLRTRQRGDRFHRVLLAHGVGARPGGQSRALPAAPRADFFLTGALEVICEAWLRDLLFARGAPAWLRRRYLRLRYEDLVRQPRAQLRRLLRFSGLRALAALDAFALNMTRGAAYGADRPFHLSARDAREAVHAWRERLSREQVRQVEAACAPAMRLLAYPRSGEEGDAEQPREGETPLEMDADGAT,sabio,Q9NS84,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O,0.6,8.558692421991093,22.0,7.0,2.8.2.-,9606.0,-0.2218487496163563,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O,-0.2218487496163563,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O__MKGRRRRRREYCKFALLLVLYTLVLLLVPSVLDGGRDGDKGAEHCPGLQRSLGVWSLEAAAAGEREQGAEARAAEEGGANQSPRFPSNLSGAVGEAVSREKQHIYVHATWRTGSSFLGELFNQHPDVFYLYEPMWHLWQALYPGDAESLQGALRDMLRSLFRCDFSVLRLYAPPGDPAARAPDTANLTTAALFRWRTNKVICSPPLCPGAPRARAEVGLVEDTACERSCPPVAIRALEAECRKYPVVVIKDVRLLDLGVLVPLLRDPGLNLKVVQLFRDPRAVHNSRLKSRQGLLRESIQVLRTRQRGDRFHRVLLAHGVGARPGGQSRALPAAPRADFFLTGALEVICEAWLRDLLFARGAPAWLRRRYLRLRYEDLVRQPRAQLRRLLRFSGLRALAALDAFALNMTRGAAYGADRPFHLSARDAREAVHAWRERLSREQVRQVEAACAPAMRLLAYPRSGEEGDAEQPREGETPLEMDADGAT,./data/raw/alphafold//AF-Q9NS84-F1-model_v4.pdb,73,2553,2847,5695
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+1670,18844,19124,MGLSRKEQVFLALLGASGVSGLTALILLLVEATSVLLPTDIKFGIVFDAGSSHTSLFLYQWLANKENGTGVVSQALACQVEGPGISSYTSNAAQAGESLQGCLEEALVLIPEAQHRKTPTFLGATAGMRLLSRKNSSQARDIFAAVTQVLGRSPVDFWGAELLAGQAEGAFGWITVNYGLGTLVKYSFTGEWIQPPEEMLVGALDMGGASTQITFVPGGPILDKSTQADFRLYGSDYSVYTHSYLCFGRDQMLSRLLVGLVQSRPAALLRHPCYLSGYQTTLALGPLYESPCVHATPPLSLPQNLTVEGTGNPGACVSAIRELFNFSSCQGQEDCAFDGVYQPPLRGQFYAFSNFYYTFHFLNLTSRQPLSTVNATIWEFCQRPWKLVEASYPGQDRWLRDYCASGLYILTLLHEGYGFSEETWPSLEFRKQAGGVDIGWTLGYMLNLTGMIPADAPAQWRAESYGVWVAKVVFMVLALVAVVGAALVQLFWLQD,sabio,Q5MY95,O>>O=P(O)(O)O,0.0387,68.35286174567767,37.0,7.4,3.6.1.5,9606.0,-1.4122890349810886,O,O=P(O)(O)O,-1.4122890349810886,O__MGLSRKEQVFLALLGASGVSGLTALILLLVEATSVLLPTDIKFGIVFDAGSSHTSLFLYQWLANKENGTGVVSQALACQVEGPGISSYTSNAAQAGESLQGCLEEALVLIPEAQHRKTPTFLGATAGMRLLSRKNSSQARDIFAAVTQVLGRSPVDFWGAELLAGQAEGAFGWITVNYGLGTLVKYSFTGEWIQPPEEMLVGALDMGGASTQITFVPGGPILDKSTQADFRLYGSDYSVYTHSYLCFGRDQMLSRLLVGLVQSRPAALLRHPCYLSGYQTTLALGPLYESPCVHATPPLSLPQNLTVEGTGNPGACVSAIRELFNFSSCQGQEDCAFDGVYQPPLRGQFYAFSNFYYTFHFLNLTSRQPLSTVNATIWEFCQRPWKLVEASYPGQDRWLRDYCASGLYILTLLHEGYGFSEETWPSLEFRKQAGGVDIGWTLGYMLNLTGMIPADAPAQWRAESYGVWVAKVVFMVLALVAVVGAALVQLFWLQD,./data/raw/alphafold//AF-Q5MY95-F1-model_v4.pdb,182,2695,5004,5854
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+1695,16403,16631,MDYFNYQDDGQLWAEEVSLTSLAEQYGTPLYVYSRATLERHWHAFDRSVEGHPHLVCYAVKANSNLGVLNTLARLGSGFDIVSGGELERVLAAGGDPRKVVFSGVGKTEAEMRRALELNIKCFNVESEPELERLNRVAGELGVKAPISLRINPDVDAQTHPYISTGLRDNKFGIAFDRAPAVYQFAQSLANLNVQGIDCHIGSQLTAIEPFIDATDRLLALIDDLKEQGINIRHLDVGGGLGVVYRNELPPQPSEYAKALLGRLENHQDLELIFEPGRAIAANAGVLLTKVEFLKHTEHKNFAIIDAAMNDLMRPALYQAWQDIVPVQPRQGEAVTYDLVGPICETGDFLGKDRSLVLAENDLLAVRSAGAYGFVMSSNYNTRVRAAEVMVDGKQHYLVRQREELRSLWELEHILPE,sabio,A0A3Q0L347,NC(CCCC(N)C(=O)O)C(=O)O>>NCCCCC(N)C(=O)O.O=C=O,5.9,0.0,37.0,8.0,4.1.1.20,672.0,0.7708520116421442,NC(CCCC(N)C(=O)O)C(=O)O,NCCCCC(N)C(=O)O.O=C=O,0.7708520116421442,NC(CCCC(N)C(=O)O)C(=O)O__MDYFNYQDDGQLWAEEVSLTSLAEQYGTPLYVYSRATLERHWHAFDRSVEGHPHLVCYAVKANSNLGVLNTLARLGSGFDIVSGGELERVLAAGGDPRKVVFSGVGKTEAEMRRALELNIKCFNVESEPELERLNRVAGELGVKAPISLRINPDVDAQTHPYISTGLRDNKFGIAFDRAPAVYQFAQSLANLNVQGIDCHIGSQLTAIEPFIDATDRLLALIDDLKEQGINIRHLDVGGGLGVVYRNELPPQPSEYAKALLGRLENHQDLELIFEPGRAIAANAGVLLTKVEFLKHTEHKNFAIIDAAMNDLMRPALYQAWQDIVPVQPRQGEAVTYDLVGPICETGDFLGKDRSLVLAENDLLAVRSAGAYGFVMSSNYNTRVRAAEVMVDGKQHYLVRQREELRSLWELEHILPE,./data/raw/alphafold//AF-A0A3Q0L347-F1-model_v4.pdb,2660,5169,2309,5203
+1705,11411,11568,MVKIMPNLPGLYFLQAYPSEEIWRLFVDGRFWSKENGWRGYESREPGCLNAALESLCSIALQVEKSGEEFELSVDLIKRIHKKCGKKVEELQEKNPGELRTDEPVSFGIPAGRASIKGIEEFLSLVFLTEGGAEFGPGKAGPFGPRFDKNYFKNLNPEQIPDLAKQIYFDMCKYGHSNTNHFYLAVMKNVDVYLEKITQSYNKEIKTAETLDEKLKIIVKHIRMYEVLHPFRDANGRTFVNNLLNILLMQQGLPPATFYEPNVFDLYSAEELVVVVKEAIFNTVEIIEQSKRKTPITLYGYHSSLEEQTKFRDMLDSPSYEKIKHMDFSDLNPEKLHLKTQKCLSSLNEQYPLHRGAIYLSDPGEIKLLLSNRNESQINQQIEQGAPPIYVGKTPAHLAVISGNMAMLDELIAKKADLSLQDYDGKTALHYAAECGNMQIMGKILKVVLSQEDAIKVLNIKDNHGKTAFHYAAEFGTPELISALTTTEVIQINEPDNSGSSAITLAYKNHKLKIFDELLNSGADISDELLDAIWARKDKETLGKIIAKNEKILLNKEAFRIAISLGSVSLVKKFLRAGVDIDIPLTKDKATPLMLSINSGNPKLVSYLLKKGANTRLTDTSGNSVLHYVFYSKAENREALANIITEKDKKLINQPNANGNPPLYNAVVVNDLKMATILLEMGARVDFEDRLGNNILHSAMRRCDLPIILDIVKKDSTLLHKRNSERRNPFHQALHEMHTFPSSKETEEIHFMNLSDLLLKEGVDLNKKDIKGKTILDIALSKQYFHLCVKLMKAGAHTNISSPSKFLKNSDANSILERPFKFKNDLKKELDNNPLIAMAQINDLYVQIKNNRIRTPTGYAPKEGVSFFKGKSNDAKAHDEVLSVLKELYDSKLTEMLGNLPGEGLEEIKRSQKFFDGELKLLIKNQDISRKVDKKSIQEAVGTSLKLKW,sabio,Q5ZXN6,C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O>>Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1,27.4,20.42166697601697,25.0,7.5,2.7.1.-,446.0,1.437750562820388,C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1,1.437750562820388,C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O__MVKIMPNLPGLYFLQAYPSEEIWRLFVDGRFWSKENGWRGYESREPGCLNAALESLCSIALQVEKSGEEFELSVDLIKRIHKKCGKKVEELQEKNPGELRTDEPVSFGIPAGRASIKGIEEFLSLVFLTEGGAEFGPGKAGPFGPRFDKNYFKNLNPEQIPDLAKQIYFDMCKYGHSNTNHFYLAVMKNVDVYLEKITQSYNKEIKTAETLDEKLKIIVKHIRMYEVLHPFRDANGRTFVNNLLNILLMQQGLPPATFYEPNVFDLYSAEELVVVVKEAIFNTVEIIEQSKRKTPITLYGYHSSLEEQTKFRDMLDSPSYEKIKHMDFSDLNPEKLHLKTQKCLSSLNEQYPLHRGAIYLSDPGEIKLLLSNRNESQINQQIEQGAPPIYVGKTPAHLAVISGNMAMLDELIAKKADLSLQDYDGKTALHYAAECGNMQIMGKILKVVLSQEDAIKVLNIKDNHGKTAFHYAAEFGTPELISALTTTEVIQINEPDNSGSSAITLAYKNHKLKIFDELLNSGADISDELLDAIWARKDKETLGKIIAKNEKILLNKEAFRIAISLGSVSLVKKFLRAGVDIDIPLTKDKATPLMLSINSGNPKLVSYLLKKGANTRLTDTSGNSVLHYVFYSKAENREALANIITEKDKKLINQPNANGNPPLYNAVVVNDLKMATILLEMGARVDFEDRLGNNILHSAMRRCDLPIILDIVKKDSTLLHKRNSERRNPFHQALHEMHTFPSSKETEEIHFMNLSDLLLKEGVDLNKKDIKGKTILDIALSKQYFHLCVKLMKAGAHTNISSPSKFLKNSDANSILERPFKFKNDLKKELDNNPLIAMAQINDLYVQIKNNRIRTPTGYAPKEGVSFFKGKSNDAKAHDEVLSVLKELYDSKLTEMLGNLPGEGLEEIKRSQKFFDGELKLLIKNQDISRKVDKKSIQEAVGTSLKLKW,./data/raw/alphafold//AF-Q5ZXN6-F1-model_v4.pdb,3836,3957,1801,3613
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+1933,14063,14245,MTMMTATQALSVNPATGQTLAAMPWANAQEIEHALSLAASGFKKWKMTSVAQRAQTLRDIGQALRAHAEEMAQCITREMGKPIKQARAEVTKSAALCDWYAEHGPAMLNPEPTLVENQQAVIEYRPLGVILAIMPWNFPLWQVLRGAVPILLAGNSYLLKHAPNVTGCAQMIARILAEAGTPAGVYGWVNANNEGVSQMINDPRIAAVTVTGSVRAGAAIGAQAGAALKKCVLELGGSDPFIVLNDADLELAVKAAVAGRYQNTGQVCAAAKRFIVEEGIAQAFTDRFVAAAAALKMGDPLVEENDLGPMARFDLRDELHQQVQASVAEGARLLLGGEKIAGEGNYYAATVLADVTPDMTAFRQELFGPVAAITVAKDAAHALALANDSEFGLSATIFTADDTLAAEMAARLECGGVFINGYSASDARVAFGGVKKSGFGRELSHFGLHEFCNVQTVWKNRV,brenda,Q8ZPI3,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)O.[H+],55.0,7.240812448354101e-15,37.0,8.0,1.2.1.16,90371.0,1.740362689494244,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)O.[H+],1.919078092376074,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O__MTMMTATQALSVNPATGQTLAAMPWANAQEIEHALSLAASGFKKWKMTSVAQRAQTLRDIGQALRAHAEEMAQCITREMGKPIKQARAEVTKSAALCDWYAEHGPAMLNPEPTLVENQQAVIEYRPLGVILAIMPWNFPLWQVLRGAVPILLAGNSYLLKHAPNVTGCAQMIARILAEAGTPAGVYGWVNANNEGVSQMINDPRIAAVTVTGSVRAGAAIGAQAGAALKKCVLELGGSDPFIVLNDADLELAVKAAVAGRYQNTGQVCAAAKRFIVEEGIAQAFTDRFVAAAAALKMGDPLVEENDLGPMARFDLRDELHQQVQASVAEGARLLLGGEKIAGEGNYYAATVLADVTPDMTAFRQELFGPVAAITVAKDAAHALALANDSEFGLSATIFTADDTLAAEMAARLECGGVFINGYSASDARVAFGGVKKSGFGRELSHFGLHEFCNVQTVWKNRV,./data/raw/alphafold//AF-Q8ZPI3-F1-model_v4.pdb,2372,4681,4717,4551
+1940,8581,8713,MSSKLATPLSIQGEVIYPDDSGFDAIANIWDGRHLQRPSLIARCLSAGDVAKSVRYACDNGLEISVRSGGHNPNGYATNDGGIVLDLRLMNSIHIDTAGSRARIGGGVISGDLVKEAAKFGLAAVTGMHPKVGFCGLALNGGVGFLTPKYGLASDNILGATLVTATGDVIYCSDDERPELFWAVRGAGPNFGVVTEVEVQLYELPRKMLAGFITWAPSVSELAGLLTSLLDALNEMADHIYPSVFVGVDENRAPSVTVCVGHLGGLDIAERDIARLRGLGRTVSDSIAVRSYDEVVALNAEVGSFEDGMSNLWIDREIAMPNARFAEAIAGNLDKFVSEPASGGSVKLEIEGMPFGNPKRTPARHRDAMGVLALAEWSGAAPGSEKYPELARELDAALLRAGVTTSGFGLLNNNSEVTAEMVAEVYKPEVYCRLAAVKREYDPENRFRHNYNIDPEGS,uniprot_search,P08159,CN1CCC[C@@H]1c1ccc(O)nc1.O.O=O>>CNCCCC(=O)c1ccc(O)nc1.OO,19.8,6.212449820414608e-15,30.0,9.2,1.5.3.6,29320.0,1.2966651902615312,CN1CCC[C@@H]1c1ccc(O)nc1.O.O=O,CNCCCC(=O)c1ccc(O)nc1.OO,1.2966651902615312,CN1CCC[C@@H]1c1ccc(O)nc1.O.O=O__MSSKLATPLSIQGEVIYPDDSGFDAIANIWDGRHLQRPSLIARCLSAGDVAKSVRYACDNGLEISVRSGGHNPNGYATNDGGIVLDLRLMNSIHIDTAGSRARIGGGVISGDLVKEAAKFGLAAVTGMHPKVGFCGLALNGGVGFLTPKYGLASDNILGATLVTATGDVIYCSDDERPELFWAVRGAGPNFGVVTEVEVQLYELPRKMLAGFITWAPSVSELAGLLTSLLDALNEMADHIYPSVFVGVDENRAPSVTVCVGHLGGLDIAERDIARLRGLGRTVSDSIAVRSYDEVVALNAEVGSFEDGMSNLWIDREIAMPNARFAEAIAGNLDKFVSEPASGGSVKLEIEGMPFGNPKRTPARHRDAMGVLALAEWSGAAPGSEKYPELARELDAALLRAGVTTSGFGLLNNNSEVTAEMVAEVYKPEVYCRLAAVKREYDPENRFRHNYNIDPEGS,./data/raw/alphafold//AF-P08159-F1-model_v4.pdb,3456,2363,1084,2997
+1977,11634,11792,MGDMVSPVVHRHAAGGGSGGDDDDQACMYALELLGGSVVSMTLKAAIELGLVDELLAAAGAAVTAEELAARLRLPAAVAAAAAVDRMLRLLASYGVVRCATEAGPDGKARRSYAAAPVCKWLAAGSSSGEGSMAPLGLLNLDKVFMENWYYLKEAVSEGGTAFDKAYGTSLFQYLGQDGNEPSNTLFNQAMASHSVVITNKLLQFFRGFDAGAGVDVLVDVGGGVGATLRMITARHPHLRGVNYDLPHVIAQAPPVEGVEHIGGSMFDHVPSGSAILLKWILHLWGDEECVKILKNCYKALPAKGKVILVEYVLPASPEATLAAQEAFRLDVMMLNRLAGGKERTQQEFTDLAVDAGFSGDCKPTYIFTNVWALEFTK,brenda,I2FFE9,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21>>COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,25.0,0.0750329385667843,30.0,8.5,2.1.1.232,4530.0,1.3979400086720375,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,1.3979400086720375,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21__MGDMVSPVVHRHAAGGGSGGDDDDQACMYALELLGGSVVSMTLKAAIELGLVDELLAAAGAAVTAEELAARLRLPAAVAAAAAVDRMLRLLASYGVVRCATEAGPDGKARRSYAAAPVCKWLAAGSSSGEGSMAPLGLLNLDKVFMENWYYLKEAVSEGGTAFDKAYGTSLFQYLGQDGNEPSNTLFNQAMASHSVVITNKLLQFFRGFDAGAGVDVLVDVGGGVGATLRMITARHPHLRGVNYDLPHVIAQAPPVEGVEHIGGSMFDHVPSGSAILLKWILHLWGDEECVKILKNCYKALPAKGKVILVEYVLPASPEATLAAQEAFRLDVMMLNRLAGGKERTQQEFTDLAVDAGFSGDCKPTYIFTNVWALEFTK,./data/raw/alphafold//AF-I2FFE9-F1-model_v4.pdb,3864,4029,1879,3705
+1983,19738,20024,MNLLTINTHSWLEEEPLKKLEEIAKVILSSESEIIALQEVNQKVASKKVPLEQLTTFCPIATQTPIHEDNFAYLIVQYLAEKGQHYYWSWEMSHIGYAIYEEGNALLSKCPLTSEALLISESQEPTNYRTRKILVAETESSKGTLTVVSGHFSWWETPCTGFAYEWLQLEKYLAMGQQPLVILGDLNNPAGTTGYQLVENSYLPIQDAFVVAEETSGEATVEKKIDGWEENEAALRIDYAFVPKQWHVRKYEVIFDGRKTPIVSDHFGLLIQLK,brenda,E6ENP9,O.O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,128.0,1.2895775744243422e-14,30.0,7.1,3.1.3.90,1351.0,2.1072099696478683,O.O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,2.1072099696478683,O.O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O__MNLLTINTHSWLEEEPLKKLEEIAKVILSSESEIIALQEVNQKVASKKVPLEQLTTFCPIATQTPIHEDNFAYLIVQYLAEKGQHYYWSWEMSHIGYAIYEEGNALLSKCPLTSEALLISESQEPTNYRTRKILVAETESSKGTLTVVSGHFSWWETPCTGFAYEWLQLEKYLAMGQQPLVILGDLNNPAGTTGYQLVENSYLPIQDAFVVAEETSGEATVEKKIDGWEENEAALRIDYAFVPKQWHVRKYEVIFDGRKTPIVSDHFGLLIQLK,./data/raw/alphafold//AF-E6ENP9-F1-model_v4.pdb,339,2892,5221,6086
+1986,8554,8686,MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGRGGKNLLLMSHMDTVYLKGILAKAPFRVEGDKAYGPGIADDKGGNAVILHTLKLLKEYGVRDYGTITVLFNTDEEKGSFGSRDLIQEEAKLADYVLSFEPTSAGDEKLSLGTSGIAYVQVNITGKASHAGAAPELGVNALVEASDLVLRTMNIDDKAKNLRFNWTIAKAGNVSNIIPASATLNADVRYARNEDFDAAMKTLEERAQQKKLPEADVKVIVTRGRPAFNAGEGGKKLVDKAVAYYKEAGGTLGVEERTGGGTDAAYAALSGKPVIESLGLPGFGYHSDKAEYVDISAIPRRLYMAARLIMDLGAGK,brenda,P06621,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O>>CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)O)cc1.N[C@@H](CCC(=O)O)C(=O)O,24.83,1.8027902514623164e-14,37.0,7.3,3.4.17.11,312.0,1.3949767195545644,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)O)cc1.N[C@@H](CCC(=O)O)C(=O)O,1.3949767195545644,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O__MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGRGGKNLLLMSHMDTVYLKGILAKAPFRVEGDKAYGPGIADDKGGNAVILHTLKLLKEYGVRDYGTITVLFNTDEEKGSFGSRDLIQEEAKLADYVLSFEPTSAGDEKLSLGTSGIAYVQVNITGKASHAGAAPELGVNALVEASDLVLRTMNIDDKAKNLRFNWTIAKAGNVSNIIPASATLNADVRYARNEDFDAAMKTLEERAQQKKLPEADVKVIVTRGRPAFNAGEGGKKLVDKAVAYYKEAGGTLGVEERTGGGTDAAYAALSGKPVIESLGLPGFGYHSDKAEYVDISAIPRRLYMAARLIMDLGAGK,./data/raw/alphafold//AF-P06621-F1-model_v4.pdb,3451,2358,1079,2989
+1988,21510,21834,RGKIIRLHILTDGRDVLDGSSVGFVETIENDLAQLREQGVDARIASGGGRMYVTMDRYENDWSVVKRGWDAQVLGEAPHKFQNALEAVKTLRAEPKANDQYLPPFVIVDESGKSVGPIVDGDAVVTFNFRADRMVMLAKALEFPDFDKFDRVRVPKIKYAGMLQYDGELKLPSKYLVSPPLIERTSGEYLVKNGVRTFACSETVKFGHVTFFWNGNRSGYFDETREEYVEIPSDSGITFNEQPKMXALEIAERTRDAILSGKV,sabio,Q7XYD2,O=C(O)[C@H](O)COP(=O)(O)O>>O=C(O)C(CO)OP(=O)(O)O,950.0,0.0,30.0,7.0,5.4.2.12,4565.0,2.977723605288848,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)C(CO)OP(=O)(O)O,2.977723605288848,O=C(O)[C@H](O)COP(=O)(O)O__RGKIIRLHILTDGRDVLDGSSVGFVETIENDLAQLREQGVDARIASGGGRMYVTMDRYENDWSVVKRGWDAQVLGEAPHKFQNALEAVKTLRAEPKANDQYLPPFVIVDESGKSVGPIVDGDAVVTFNFRADRMVMLAKALEFPDFDKFDRVRVPKIKYAGMLQYDGELKLPSKYLVSPPLIERTSGEYLVKNGVRTFACSETVKFGHVTFFWNGNRSGYFDETREEYVEIPSDSGITFNEQPKMXALEIAERTRDAILSGKV,./data/raw/esmfold//ESMFold-Q7XYD2-v1.pdb,669,53,5764,6667
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+1997,413,429,MASHDQEAFLTAMQIVNSSAVDGVLICLIELNVFDIMMQKAGMDGYLHPDEIALNLPTKNPQAPEMLDRMLRILASHSIIKCKLVKKMSGNALLTRAYGLTLISQYFVNAQDGPCLAPYLKLIHHKQMQNSWEKVNEAVLEGGYAFNKAHAGSTFFEYLGKDKSVAELLSQTMAKSIPTSMNILLKSYKGFEGVKEVVDVGGAYAATLSCIISFNPHVKGINFDVPHVIKNAPSLPGITHVGGDMFESVPRGEAIVLQRVLHDWTDEESVKILKKCYEAIPDHGKVVIIEMIQTEMPEDDIIAKNISEMDIRMLLYTPGGKERTVNEFLMLGKQAGFPSSKYICGADLYGVVELYKKK,brenda,B8RCD3,C/C=C/c1ccc(O)c(OC)c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C/c1ccc(OC)c(OC)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,0.015,0.0894167156034077,25.0,7.5,2.1.1.279,271192.0,-1.8239087409443189,C/C=C/c1ccc(O)c(OC)c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C/C=C/c1ccc(OC)c(OC)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,-1.8239087409443189,C/C=C/c1ccc(O)c(OC)c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O__MASHDQEAFLTAMQIVNSSAVDGVLICLIELNVFDIMMQKAGMDGYLHPDEIALNLPTKNPQAPEMLDRMLRILASHSIIKCKLVKKMSGNALLTRAYGLTLISQYFVNAQDGPCLAPYLKLIHHKQMQNSWEKVNEAVLEGGYAFNKAHAGSTFFEYLGKDKSVAELLSQTMAKSIPTSMNILLKSYKGFEGVKEVVDVGGAYAATLSCIISFNPHVKGINFDVPHVIKNAPSLPGITHVGGDMFESVPRGEAIVLQRVLHDWTDEESVKILKKCYEAIPDHGKVVIIEMIQTEMPEDDIIAKNISEMDIRMLLYTPGGKERTVNEFLMLGKQAGFPSSKYICGADLYGVVELYKKK,./data/raw/alphafold//AF-B8RCD3-F1-model_v4.pdb,3864,613,284,311
+2009,18112,18366,MENGNKALSIEQMYQKKSQLEHILLRPDSYIGSVEFTKELMWVYDNSQNRMVQKEISFVPGLYKIFDEILVNAADNKQRDKSMNTIKIDIDPERNMVSVWNNGQGIPVTMHKEQKMYVPTMIFGHLLTSSNYNDDEKKVTGGRNGYGAKLCNIFSTSFTVETATREYKKSFKQTWGNNMGKASDVQIKDFNGTDYTRITFSPDLAKFKMDRLDEDIVALMSRRAYDVAASSKGVSVFLNGNKLGVRNFKDYIDLHIKNTDDDSGPPIKIVHEVANERWEVACCPSDRGFQQVSFVNSIATYKGGRHVDHVVDNLIKQLLEVLKKKNKGGINIKPFQVRNHLWVFVNCLIENPTFDSQTKENMTLQQKGFGSKCTLSEKFINNMSKSGIVESVLAWAKFKAQNDIAKTGGRKSSKIKGIPKLEDANEAGGKNSIKCTLILTEGDSAKSLAVSGLGVIGRDLYGVFPLRGKLLNVREANFKQLSENAEINNLCKIIGLQYKKKYLTEDDLKTLRYGKVMIMTDQDQDGSHIKGLLINFIHTNWPELLRLPFLEEFITPIVKATKKNEELSFYSLPEFEEWKNDTANHHTYNIKYYKGLGTSTSKEAKEYFQDMDRHRILFKYDGSVDDESIVMAFSKKHIESRKVWLTNHMDEVKRRKELGLPERYLYTKGTKSITYADFINLELVLFSNADNERSIPSLVDGLKPGQRKVMFTCFKRNDKREVKVAQLSGSVAEMSAYHHGEVSLQMTIVNLAQNFVGANNINLLEPRGQFGTRLSGGKDCASARYIFTIMSPLTRLIYHPLDDPLLDYQVDDGQKIEPLWYLPIIPMVLVNGAEGIGTGWSTKISNYNPREIMKNLRKMINGQEPSVMHPWYKNFLGRMEYVSDGRYIQTGNIQILSGNRLEISELPVGVWTQNYKENVLEPLSNGTEKVKGIISEYREYHTDTTVRFVISFAPGEFERIHAEEGGFYRVFKLTTTLSTNQMHAFDQNNCLRRFPTAIDILKEYYKLRREYYARRRDFLVGQLTAQADRLSDQARFILEKCEKKLVVENKQRKAMCDELLKRGYRPDPVKEWQRRIKMEDAEQADEEDEEEEEAAPSVSSKAKKEKEVDPEKAFKKLTDVKKFDYLLGMSMWMLTEEKKNELLKQRDTKLSELESLRKKTPEMLWLDDLDALESKLNEVEEKERAEEQGINLKTAKALKGQKSASAKGRKVKSMGGGAGAGDVFPDPDGEPVEFKITEEIIKKMAAAAKVAQAAKEPKKPKEPKEPKVKKEPKGKQIKAEPDASGDEVDEFDAMVEGGSKTSPKAKKAVVKKEPGEKKPRQKKENGGGLKQSKIDFSKAKAKKSDDDVEEVTPRAERPGRRQASKKIDYSSLFSDEEEDGGNVGSDDDGNASDDDSPKRPAKRGREDESSGGAKKKAPPKKRRAVIESDDDDIEIDEDDDDDSDFNC,sabio,P15348,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,378.0,1.7433100537169743,30.0,7.9,5.6.2.2,7227.0,2.577491799837225,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,2.591064607026499,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O__MENGNKALSIEQMYQKKSQLEHILLRPDSYIGSVEFTKELMWVYDNSQNRMVQKEISFVPGLYKIFDEILVNAADNKQRDKSMNTIKIDIDPERNMVSVWNNGQGIPVTMHKEQKMYVPTMIFGHLLTSSNYNDDEKKVTGGRNGYGAKLCNIFSTSFTVETATREYKKSFKQTWGNNMGKASDVQIKDFNGTDYTRITFSPDLAKFKMDRLDEDIVALMSRRAYDVAASSKGVSVFLNGNKLGVRNFKDYIDLHIKNTDDDSGPPIKIVHEVANERWEVACCPSDRGFQQVSFVNSIATYKGGRHVDHVVDNLIKQLLEVLKKKNKGGINIKPFQVRNHLWVFVNCLIENPTFDSQTKENMTLQQKGFGSKCTLSEKFINNMSKSGIVESVLAWAKFKAQNDIAKTGGRKSSKIKGIPKLEDANEAGGKNSIKCTLILTEGDSAKSLAVSGLGVIGRDLYGVFPLRGKLLNVREANFKQLSENAEINNLCKIIGLQYKKKYLTEDDLKTLRYGKVMIMTDQDQDGSHIKGLLINFIHTNWPELLRLPFLEEFITPIVKATKKNEELSFYSLPEFEEWKNDTANHHTYNIKYYKGLGTSTSKEAKEYFQDMDRHRILFKYDGSVDDESIVMAFSKKHIESRKVWLTNHMDEVKRRKELGLPERYLYTKGTKSITYADFINLELVLFSNADNERSIPSLVDGLKPGQRKVMFTCFKRNDKREVKVAQLSGSVAEMSAYHHGEVSLQMTIVNLAQNFVGANNINLLEPRGQFGTRLSGGKDCASARYIFTIMSPLTRLIYHPLDDPLLDYQVDDGQKIEPLWYLPIIPMVLVNGAEGIGTGWSTKISNYNPREIMKNLRKMINGQEPSVMHPWYKNFLGRMEYVSDGRYIQTGNIQILSGNRLEISELPVGVWTQNYKENVLEPLSNGTEKVKGIISEYREYHTDTTVRFVISFAPGEFERIHAEEGGFYRVFKLTTTLSTNQMHAFDQNNCLRRFPTAIDILKEYYKLRREYYARRRDFLVGQLTAQADRLSDQARFILEKCEKKLVVENKQRKAMCDELLKRGYRPDPVKEWQRRIKMEDAEQADEEDEEEEEAAPSVSSKAKKEKEVDPEKAFKKLTDVKKFDYLLGMSMWMLTEEKKNELLKQRDTKLSELESLRKKTPEMLWLDDLDALESKLNEVEEKERAEEQGINLKTAKALKGQKSASAKGRKVKSMGGGAGAGDVFPDPDGEPVEFKITEEIIKKMAAAAKVAQAAKEPKKPKEPKEPKVKKEPKGKQIKAEPDASGDEVDEFDAMVEGGSKTSPKAKKAVVKKEPGEKKPRQKKENGGGLKQSKIDFSKAKAKKSDDDVEEVTPRAERPGRRQASKKIDYSSLFSDEEEDGGNVGSDDDGNASDDDSPKRPAKRGREDESSGGAKKKAPPKKRRAVIESDDDDIEIDEDDDDDSDFNC,./data/raw/alphafold//AF-P15348-F1-model_v4.pdb,9,2477,2762,5607
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+2151,12408,12578,MEVEKEFITDEAKELLSKDKLIQQAYNEVKTSICSPIWPATSKTFTINNTEKNCNGVVPIKELCYTLLEDTYNWYREKPLDILKLEKKKGGPIDVYKEFIENSELKRVGMEFETGNISSAHRSMNKLLLGLKHGEIDLAIILMPIKQLAYYLTDRVTNFEELEPYFELTEGQPFIFIGFNAEAYNSNVPLIPKGSDGMSKRSIKKWKDKVENK,uniprot_search,P23940,Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(Br)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O.O>>,600.0,99.95937466230188,37.0,8.5,3.1.21.4,1390.0,2.778151250383644,Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(Br)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O.O,,2.778151250383644,Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(Br)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O.O__MEVEKEFITDEAKELLSKDKLIQQAYNEVKTSICSPIWPATSKTFTINNTEKNCNGVVPIKELCYTLLEDTYNWYREKPLDILKLEKKKGGPIDVYKEFIENSELKRVGMEFETGNISSAHRSMNKLLLGLKHGEIDLAIILMPIKQLAYYLTDRVTNFEELEPYFELTEGQPFIFIGFNAEAYNSNVPLIPKGSDGMSKRSIKKWKDKVENK,./data/raw/alphafold//AF-P23940-F1-model_v4.pdb,2086,4274,4158,4014
+2163,19955,20241,MIDIHCHILPAMDDGAGDSADSIEMARAAVRQGIRTIIATPHHNNGVYKNEPAAVREAADQLNKRLIKEDIPLHVLPGQEIRIYGEVEQDLAKRQLLSLNDTKYILIEFPFDHVPRYAEQLFYDLQLKGYIPVIAHPERNREIRENPSLLYHLVEKGAASQITSGSLAGIFGKQLKAFSLRLVEANLIHFVASDAHNVKTRNFHTQEALYVLEKEFGSELPYMLTENAELLLRNQTIFRQPPQPVKRRKLFGFF,sabio,P96717,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,0.022,0.0,30.0,8.0,3.1.3.48,1423.0,-1.6575773191777938,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,-1.6575773191777938,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1__MIDIHCHILPAMDDGAGDSADSIEMARAAVRQGIRTIIATPHHNNGVYKNEPAAVREAADQLNKRLIKEDIPLHVLPGQEIRIYGEVEQDLAKRQLLSLNDTKYILIEFPFDHVPRYAEQLFYDLQLKGYIPVIAHPERNREIRENPSLLYHLVEKGAASQITSGSLAGIFGKQLKAFSLRLVEANLIHFVASDAHNVKTRNFHTQEALYVLEKEFGSELPYMLTENAELLLRNQTIFRQPPQPVKRRKLFGFF,./data/raw/alphafold//AF-P96717-F1-model_v4.pdb,186,2697,5006,5856
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+2175,18857,19137,MIDIHCHILPAMDDGAGDSADSIEMARAAVRQGIRTIIATPHHNNGVYKNEPAAVREAADQLNKRLIKEDIPLHVLPGQEIRIYGEVEQDLAKRQLLSLNDTKYILIEFPFDHVPRYAEQLFYDLQLKGYIPVIAHPERNREIRENPSLLYHLVEKGAASQITSGSLAGIFGKQLKAFSLRLVEANLIHFVASDAHNVKTRNFHTQEALYVLEKEFGSELPYMLTENAELLLRNQTIFRQPPQPVKRRKLFGFF,sabio,P96717,O>>*NC(=O)C(Cc1ccc(O)cc1)NC(*)=O.O=P(O)(O)O,0.028,88.5430525045636,30.0,8.0,3.1.3.48,1423.0,-1.5528419686577808,O,*NC(=O)C(Cc1ccc(O)cc1)NC(*)=O.O=P(O)(O)O,-1.5528419686577808,O__MIDIHCHILPAMDDGAGDSADSIEMARAAVRQGIRTIIATPHHNNGVYKNEPAAVREAADQLNKRLIKEDIPLHVLPGQEIRIYGEVEQDLAKRQLLSLNDTKYILIEFPFDHVPRYAEQLFYDLQLKGYIPVIAHPERNREIRENPSLLYHLVEKGAASQITSGSLAGIFGKQLKAFSLRLVEANLIHFVASDAHNVKTRNFHTQEALYVLEKEFGSELPYMLTENAELLLRNQTIFRQPPQPVKRRKLFGFF,./data/raw/alphafold//AF-P96717-F1-model_v4.pdb,186,2697,5006,5856
+2180,21610,21935,MNSSNTGAPEAAQAATLEAFDRRAAEQYLRGQWIAEEHLMRAIGGPRPAGIPYRWEWKSVEVALDEATIALGPVDTARRHLTFVNPGLMDRGSATTHTISAGFQLVKPGEVCWSHRHTMSAVRFVTKGHPDAFTAVDGERLPMEDFDLLITPRFSWHDHHNSGDADVVWLDGLDIGLLQSLGAVFYEPYGDDSQNVRPSSSEGIGTRSHWLRPTWERGRESRLPIRYPWKEVNARLDVYDLDAGTPYDGLALRYANPVTGGPTMATMDCWVQRLAPGFDGKSHRRSSSAITYVISGSGTMVTEDETITFNRGDVISLPNWTNFRWTNDSEIEPVLLFSMHDIPALEAFGLLYEEPEAILNATPAPINPTPSLNPIYRPGAFYDQDEL,brenda,O24721,O=C(O)c1ccc2ccccc2c1O.O=O>>O=C(O)C(=O)/C=C\c1ccccc1C(=O)O,114.0,0.0,25.0,7.5,1.13.11.38,35761.0,2.0569048513364727,O=C(O)c1ccc2ccccc2c1O.O=O,O=C(O)C(=O)/C=C\c1ccccc1C(=O)O,2.0569048513364727,O=C(O)c1ccc2ccccc2c1O.O=O__MNSSNTGAPEAAQAATLEAFDRRAAEQYLRGQWIAEEHLMRAIGGPRPAGIPYRWEWKSVEVALDEATIALGPVDTARRHLTFVNPGLMDRGSATTHTISAGFQLVKPGEVCWSHRHTMSAVRFVTKGHPDAFTAVDGERLPMEDFDLLITPRFSWHDHHNSGDADVVWLDGLDIGLLQSLGAVFYEPYGDDSQNVRPSSSEGIGTRSHWLRPTWERGRESRLPIRYPWKEVNARLDVYDLDAGTPYDGLALRYANPVTGGPTMATMDCWVQRLAPGFDGKSHRRSSSAITYVISGSGTMVTEDETITFNRGDVISLPNWTNFRWTNDSEIEPVLLFSMHDIPALEAFGLLYEEPEAILNATPAPINPTPSLNPIYRPGAFYDQDEL,./data/raw/alphafold//AF-O24721-F1-model_v4.pdb,693,82,5795,6702
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+2204,12734,12905,MALHSMRKARERWSFIRALHKGSAAAPALQKDSKKRVFSGIQPTGILHLGNYLGAIESWVRLQDEYDSVLYSIVDLHSITVPQDPAVLRQSILDMTAVLLACGINPEKSILFQQSQVSEHTQLSWILSCMVRLPRLQHLHQWKAKTTKQKHDGTVGLLTYPVLQAADILLYKSTHVPVGEDQVQHMELVQDLAQGFNKKYGEFFPVPESILTSMKKVKSLRDPSAKMSKSDPDKLATVRITDSPEEIVQKFRKAVTDFTSEVTYDPAGRAGVSNIVAVHAAVTGLSVEEVVRRSAGMNTARYKLAVADAVIEKFAPIKREIEKLKLDKDHLEKVLQIGSAKAKELAYTVCQEVKKLVGFL,brenda,Q9UGM6,N.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(O)[C@@H](N)Cc1c[nH]c2ccccc12.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,1.2,0.0,22.0,9.0,6.1.1.2,9606.0,0.0791812460476248,N.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=C(O)[C@@H](N)Cc1c[nH]c2ccccc12.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,0.0791812460476248,N.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O__MALHSMRKARERWSFIRALHKGSAAAPALQKDSKKRVFSGIQPTGILHLGNYLGAIESWVRLQDEYDSVLYSIVDLHSITVPQDPAVLRQSILDMTAVLLACGINPEKSILFQQSQVSEHTQLSWILSCMVRLPRLQHLHQWKAKTTKQKHDGTVGLLTYPVLQAADILLYKSTHVPVGEDQVQHMELVQDLAQGFNKKYGEFFPVPESILTSMKKVKSLRDPSAKMSKSDPDKLATVRITDSPEEIVQKFRKAVTDFTSEVTYDPAGRAGVSNIVAVHAAVTGLSVEEVVRRSAGMNTARYKLAVADAVIEKFAPIKREIEKLKLDKDHLEKVLQIGSAKAKELAYTVCQEVKKLVGFL,./data/raw/alphafold//AF-Q9UGM6-F1-model_v4.pdb,2159,4373,4263,4134
+2214,17737,17980,MLLSKKSEYKTLSTVEHPQYIVFCDFDETYFPHTIDEQKQQDIYELEDYLEQKSKDGELIIGWVTGSSIESILDKMGRGKFRYFPHFIASDLGTEITYFSEHNFGQQDNKWNSRINEGFSKEKVEKLVKQLHENHNILLNPQTQLGKSRYKHNFYYQEQDEINDKKNLLAIEKICEEYGVSVNINRCNPLAGDPEDSYDVDFIPIGTGKNEIVTFMLEKYNLNTERAIAFGDSGNDVRMLQTVGNGYLLKNATQEAKNLHNLITDSEYSKGITNTLKKLIGS,brenda,O07565,N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC(O)[C@@H]1O.O>>N[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O.O=P(O)(O)O,32.0,0.0,37.0,7.5,3.1.3.92,1423.0,1.505149978319906,N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC(O)[C@@H]1O.O,N[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O.O=P(O)(O)O,1.505149978319906,N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC(O)[C@@H]1O.O__MLLSKKSEYKTLSTVEHPQYIVFCDFDETYFPHTIDEQKQQDIYELEDYLEQKSKDGELIIGWVTGSSIESILDKMGRGKFRYFPHFIASDLGTEITYFSEHNFGQQDNKWNSRINEGFSKEKVEKLVKQLHENHNILLNPQTQLGKSRYKHNFYYQEQDEINDKKNLLAIEKICEEYGVSVNINRCNPLAGDPEDSYDVDFIPIGTGKNEIVTFMLEKYNLNTERAIAFGDSGNDVRMLQTVGNGYLLKNATQEAKNLHNLITDSEYSKGITNTLKKLIGS,./data/raw/alphafold//AF-O07565-F1-model_v4.pdb,2829,2406,2684,5525
+2231,19942,20228,MEPAAAATVQRLPELGREDRASAPAAAAAAAAAAAAAAAALAAAAGGGRSPEPALTPAAPSGGNGSGSGAREEAPGEAPPGPLPGRAGGAGRRRRRGAPQPIAGGAAPVPGAGGGANSLLLRRGRLKRNLSAAAAAASSSSSSSAAAASHSPGAAGLPASCSASASLCTRSLDRKTLLLKHRQTLQLQPSDRDWVRHQLQRGCVHVFDRHMASTYLRPVLCTLDTTAGEVAARLLQLGHKGGGVVKVLGQGPGAAAAREPAEPPPEAGPRLAPPEPRDSEVPPARSAPGAFGGPPRAPPADLPLPVGGPGGWSRRASPAPSDSSPGEPFVGGPVSSPRAPRPVVSDTESFSLSPSAESVSDRLDPYSSGGGSSSSSEELEADAASAPTGVPGQPRRPGHPAQPLPLPQTASSPQPQQKAPRAIDSPGGAVREGSCEEKAAAAVAPGGLQSTPGRSGVTAEKAPPPPPPPTLYVQLHGETTRRLEAEEKPLQIQNDYLFQLGFGELWRVQEEGMDSEIGCLIRFYAGKPHSTGSSERIQLSGMYNVRKGKMQLPVNRWTRRQVILCGTCLIVSSVKDSLTGKMHVLPLIGGKVEEVKKHQHCLAFSSSGPQSQTYYICFDTFTEYLRWLRQVSKVASQRISSVDLSCCSLEHLPANLFYSQDLTHLNLKQNFLRQNPSLPAARGLNELQRFTKLKSLNLSNNHLGDFPLAVCSIPTLAELNVSCNALRSVPAAVGVMHNLQTFLLDGNFLQSLPAELENMKQLSYLGLSFNEFTDIPEVLEKLTAVDKLCMSGNCVETLRLQALRKMPHIKHVDLRLNVIRKLIADEVDFLQHVTQLDLRDNKLGDLDAMIFNNIEVLHCERNQLVTLDICGYFLKALYASSNELVQLDVYPVPNYLSYMDVSRNRLENVPEWVCESRKLEVLDIGHNQICELPARLFCNSSLRKLLAGHNQLARLPERLERTSVEVLDVQHNQLLELPPNLLMKADSLRFLNASANKLESLPPATLSEETNSILQELYLTNNSLTDKCVPLLTGHPHLKILHMAYNRLQSFPASKMAKLEELEEIDLSGNKLKAIPTTIMNCRRMHTVIAHSNCIEVFPEVMQLPEIKCVDLSCNELSEVTLPENLPPKLQELDLTGNPRLVLDHKTLELLNNIRCFKIDQPSTGDASGAPAVWSHGYTEASGVKNKLCVAALSVNNFCDNREALYGVFDGDRNVEVPYLLQCTMSDILAEELQKTKNEEEYMVNTFIVMQRKLGTAGQKLGGAAVLCHIKHDPVDPGGSFTLTSANVGKCQTVLCRNGKPLPLSRSYIMSCEEELKRIKQHKAIITEDGKVNGVTESTRILGYTFLHPSVVPRPHVQSVLLTPQDEFFILGSKGLWDSLSVEEAVEAVRNVPDALAAAKKLCTLAQSYGCHDSISAVVVQLSVTEDSFCCCELSAGGAVPPPSPGIFPPSVNMVIKDRPSDGLGVPSSSSGMASEISSELSTSEMSSEVGSTASDEPPPGALSENSPAYPSEQRCMLHPICLSNSFQRQLSSATFSSAFSDNGLDSDDEEPIEGVFTNGSRVEVEVDIHCSRAKEKEKQQHLLQVPAEASDEGIVISANEDEPGLPRKADFSAVGTIGRRRANGSVAPQERSHNVIEVATDAPLRKPGGYFAAPAQPDPDDQFIIPPELEEEVKEIMKHHQEQQQQQQPPPPPQLQPQLPRHYQLDQLPDYYDTPL,sabio,O60346,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,0.0018,0.0,25.0,7.5,3.1.3.16,9606.0,-2.744727494896694,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,-2.744727494896694,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1__MEPAAAATVQRLPELGREDRASAPAAAAAAAAAAAAAAAALAAAAGGGRSPEPALTPAAPSGGNGSGSGAREEAPGEAPPGPLPGRAGGAGRRRRRGAPQPIAGGAAPVPGAGGGANSLLLRRGRLKRNLSAAAAAASSSSSSSAAAASHSPGAAGLPASCSASASLCTRSLDRKTLLLKHRQTLQLQPSDRDWVRHQLQRGCVHVFDRHMASTYLRPVLCTLDTTAGEVAARLLQLGHKGGGVVKVLGQGPGAAAAREPAEPPPEAGPRLAPPEPRDSEVPPARSAPGAFGGPPRAPPADLPLPVGGPGGWSRRASPAPSDSSPGEPFVGGPVSSPRAPRPVVSDTESFSLSPSAESVSDRLDPYSSGGGSSSSSEELEADAASAPTGVPGQPRRPGHPAQPLPLPQTASSPQPQQKAPRAIDSPGGAVREGSCEEKAAAAVAPGGLQSTPGRSGVTAEKAPPPPPPPTLYVQLHGETTRRLEAEEKPLQIQNDYLFQLGFGELWRVQEEGMDSEIGCLIRFYAGKPHSTGSSERIQLSGMYNVRKGKMQLPVNRWTRRQVILCGTCLIVSSVKDSLTGKMHVLPLIGGKVEEVKKHQHCLAFSSSGPQSQTYYICFDTFTEYLRWLRQVSKVASQRISSVDLSCCSLEHLPANLFYSQDLTHLNLKQNFLRQNPSLPAARGLNELQRFTKLKSLNLSNNHLGDFPLAVCSIPTLAELNVSCNALRSVPAAVGVMHNLQTFLLDGNFLQSLPAELENMKQLSYLGLSFNEFTDIPEVLEKLTAVDKLCMSGNCVETLRLQALRKMPHIKHVDLRLNVIRKLIADEVDFLQHVTQLDLRDNKLGDLDAMIFNNIEVLHCERNQLVTLDICGYFLKALYASSNELVQLDVYPVPNYLSYMDVSRNRLENVPEWVCESRKLEVLDIGHNQICELPARLFCNSSLRKLLAGHNQLARLPERLERTSVEVLDVQHNQLLELPPNLLMKADSLRFLNASANKLESLPPATLSEETNSILQELYLTNNSLTDKCVPLLTGHPHLKILHMAYNRLQSFPASKMAKLEELEEIDLSGNKLKAIPTTIMNCRRMHTVIAHSNCIEVFPEVMQLPEIKCVDLSCNELSEVTLPENLPPKLQELDLTGNPRLVLDHKTLELLNNIRCFKIDQPSTGDASGAPAVWSHGYTEASGVKNKLCVAALSVNNFCDNREALYGVFDGDRNVEVPYLLQCTMSDILAEELQKTKNEEEYMVNTFIVMQRKLGTAGQKLGGAAVLCHIKHDPVDPGGSFTLTSANVGKCQTVLCRNGKPLPLSRSYIMSCEEELKRIKQHKAIITEDGKVNGVTESTRILGYTFLHPSVVPRPHVQSVLLTPQDEFFILGSKGLWDSLSVEEAVEAVRNVPDALAAAKKLCTLAQSYGCHDSISAVVVQLSVTEDSFCCCELSAGGAVPPPSPGIFPPSVNMVIKDRPSDGLGVPSSSSGMASEISSELSTSEMSSEVGSTASDEPPPGALSENSPAYPSEQRCMLHPICLSNSFQRQLSSATFSSAFSDNGLDSDDEEPIEGVFTNGSRVEVEVDIHCSRAKEKEKQQHLLQVPAEASDEGIVISANEDEPGLPRKADFSAVGTIGRRRANGSVAPQERSHNVIEVATDAPLRKPGGYFAAPAQPDPDDQFIIPPELEEEVKEIMKHHQEQQQQQQPPPPPQLQPQLPRHYQLDQLPDYYDTPL,./data/raw/alphafold//AF-O60346-F1-model_v4.pdb,386,2958,5298,6175
+2239,13375,13550,MKIGIIGCGNMCECILNGLVLSKEYPPEEICIFNRTAANLKRLCEQYGVQAGKDAVDVVRRSNVVMLGVKPYAVCSVVEKIRDAVTEDKIILSVAAAIKISSIEKALGHARKVVRVMPNVPTRVGVGLTSVTPNALMTREDTALILKMFSTLGKAVEVAESQIHAVIAVAGSAPAYVFMFMEAMGDAAVHGGLPRDQAYEFAAQAVMGAAKMLQDSDMSPAQLKDMVCSPGGTTIEAVRSLEKGGLRSTVIEAMIACADRSKVLEANLN,brenda,Q4DH60,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1CCC=N1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@@H]1CCCN1,1.0,0.0,26.666666666666668,7.5,1.5.1.2,5693.0,0.0,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1CCC=N1.[H+],N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@@H]1CCCN1,0.0,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1CCC=N1.[H+]__MKIGIIGCGNMCECILNGLVLSKEYPPEEICIFNRTAANLKRLCEQYGVQAGKDAVDVVRRSNVVMLGVKPYAVCSVVEKIRDAVTEDKIILSVAAAIKISSIEKALGHARKVVRVMPNVPTRVGVGLTSVTPNALMTREDTALILKMFSTLGKAVEVAESQIHAVIAVAGSAPAYVFMFMEAMGDAAVHGGLPRDQAYEFAAQAVMGAAKMLQDSDMSPAQLKDMVCSPGGTTIEAVRSLEKGGLRSTVIEAMIACADRSKVLEANLN,./data/raw/alphafold//AF-Q4DH60-F1-model_v4.pdb,3772,4565,4497,4396
+2242,12234,12402,MRSKYIVIEGLEGAGKTTARNVVVETLEQLGIRDMVFTREPGGTQLAEKLRSLVLDIKSVGDEVITDKAEVLMFYAARVQLVETVIKPALANGTWVIGDRHDLSTQAYQGGGRGIDQHMLATLRDAVLGDFRPDLTLYLDVTPEVGLKRARARGELDRIEQESFDFFNRTRARYLELAAQDKSIHTIDATQPLEAVMDAIRTTVTHWVKELDA,sabio,P0A720,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,10.5,0.0,30.0,7.4,2.7.4.9,562.0,1.021189299069938,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,1.021189299069938,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O__MRSKYIVIEGLEGAGKTTARNVVVETLEQLGIRDMVFTREPGGTQLAEKLRSLVLDIKSVGDEVITDKAEVLMFYAARVQLVETVIKPALANGTWVIGDRHDLSTQAYQGGGRGIDQHMLATLRDAVLGDFRPDLTLYLDVTPEVGLKRARARGELDRIEQESFDFFNRTRARYLELAAQDKSIHTIDATQPLEAVMDAIRTTVTHWVKELDA,./data/raw/alphafold//AF-P0A720-F1-model_v4.pdb,2023,4184,4053,3900
+2258,18753,19027,AQSVPWGISRVQAPAAHNRGLTGSGVKVAVLDTGISTHPDLNIRGGASFVPGEPSTQDGNGHGTHVAGTIAALNNSIGVLGVAPSAELYAVKVLGADGRGAISSIAQGLEWAGNNGMHVANLSLGSPSPSATLEQAVNSATSRGVLVVAASGNSGASSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQSTYPGSTYASLNGTSMATPHVAGAAALVKQKNPSWSNVQIRNHLKNTATSLGSTNLYGSGLVNAEAATR,sabio,P29599,O>>*C(N)C(=O)NC(*)C(=O)O.SCc1ccccc1,1940.0,86.4520755434902,25.0,8.6,3.4.21.62,1467.0,3.287801729930226,O,*C(N)C(=O)NC(*)C(=O)O.SCc1ccccc1,3.287801729930226,O__AQSVPWGISRVQAPAAHNRGLTGSGVKVAVLDTGISTHPDLNIRGGASFVPGEPSTQDGNGHGTHVAGTIAALNNSIGVLGVAPSAELYAVKVLGADGRGAISSIAQGLEWAGNNGMHVANLSLGSPSPSATLEQAVNSATSRGVLVVAASGNSGASSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQSTYPGSTYASLNGTSMATPHVAGAAALVKQKNPSWSNVQIRNHLKNTATSLGSTNLYGSGLVNAEAATR,./data/raw/alphafold//AF-P29599-F1-model_v4.pdb,165,2668,2971,5820
+2267,16963,17193,MQTQILERMESDVRTYSRSFPVVFTKARNARLTDEEGREYIDFLAGAGTLNYGHNNPHLKQALLDYIDSDGIVHGLDFWTAAKRDYLETLEEVILKPRGLDYKVHLPGPTGTNAVEAAIRLARVAKGRHNIVSFTNGFHGVTMGALATTGNRKFREATGGVPTQAASFMPFDGYLGSSTDTLDYFEKLLGDKSGGLDVPAAVIVETVQGEGGINVAGLEWLKRLESICRANDILLIIDDIQAGCGRTGKFFSFEHAGITPDIVTNSKSLSGYGLPFAHVLMRPELDKWKPGQYNGTFRGFNLAFATAAAAMRKYWSDDTFERDVQRKARIVEERFGKIAAWLSENGIEASERGRGLMRGIDVGSGDIADKITHQAFENGLIIETSGQDGEVVKCLCPLTIPDEDLVEGLDILETSTKQAFS,brenda,O52250,NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CC=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,120.0,0.0,37.0,8.5,2.6.1.76,2746.0,2.0791812460476247,NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,N[C@@H](CC=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,2.0791812460476247,NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O__MQTQILERMESDVRTYSRSFPVVFTKARNARLTDEEGREYIDFLAGAGTLNYGHNNPHLKQALLDYIDSDGIVHGLDFWTAAKRDYLETLEEVILKPRGLDYKVHLPGPTGTNAVEAAIRLARVAKGRHNIVSFTNGFHGVTMGALATTGNRKFREATGGVPTQAASFMPFDGYLGSSTDTLDYFEKLLGDKSGGLDVPAAVIVETVQGEGGINVAGLEWLKRLESICRANDILLIIDDIQAGCGRTGKFFSFEHAGITPDIVTNSKSLSGYGLPFAHVLMRPELDKWKPGQYNGTFRGFNLAFATAAAAMRKYWSDDTFERDVQRKARIVEERFGKIAAWLSENGIEASERGRGLMRGIDVGSGDIADKITHQAFENGLIIETSGQDGEVVKCLCPLTIPDEDLVEGLDILETSTKQAFS,./data/raw/alphafold//AF-O52250-F1-model_v4.pdb,2730,5268,2524,5342
+2282,18306,18566,MALTFQEILDRIRIIDRDVTELNRLKSRLPADRPYSSSLQISFDKQINELLNERVGLMELEVLDPPSWILGVPTTGISQETPVPLKGLFPSGDLSKEKPDDQDVINFLRELPKTEIHLHLEACVNKDTMKRLMAKNGINVTDEEFEAKFNFKDLNSFIQVFFFIQSLVKEPSDFSFFIESLAEYMRANNILYTEVFFAPSKFIQNGLDFEEMIDFLVNRIREEKENDGIVIRLLVDVSRSFGPENAMKNLDRVLKLRHPEVIGIGLGGAELMGPARDYQGVFQKAREAGLRVVAHSGEDDGPWAIWEAVELLKAERIGHGTSAIQDPELVKYLRENHIPIEICVTSNVFTGKYVRKEQNHPVRYYYDQGLPLSINTDDPEIFNVNLTYEYYKLWRFLDFSLDEIVDLIRQGVFASFHPNKESLWAEMEKNIHLVKTRYGLKR,brenda,Q72V44,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O.O>>N.O=P1(O)OC[C@H]2O[C@@H](n3cnc4c(O)ncnc43)[C@H](O)[C@@H]2O1,46.0,1.6347280849411607e-14,30.0,7.5,3.5.4.46,267671.0,1.662757831681574,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O.O,N.O=P1(O)OC[C@H]2O[C@@H](n3cnc4c(O)ncnc43)[C@H](O)[C@@H]2O1,1.662757831681574,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O.O__MALTFQEILDRIRIIDRDVTELNRLKSRLPADRPYSSSLQISFDKQINELLNERVGLMELEVLDPPSWILGVPTTGISQETPVPLKGLFPSGDLSKEKPDDQDVINFLRELPKTEIHLHLEACVNKDTMKRLMAKNGINVTDEEFEAKFNFKDLNSFIQVFFFIQSLVKEPSDFSFFIESLAEYMRANNILYTEVFFAPSKFIQNGLDFEEMIDFLVNRIREEKENDGIVIRLLVDVSRSFGPENAMKNLDRVLKLRHPEVIGIGLGGAELMGPARDYQGVFQKAREAGLRVVAHSGEDDGPWAIWEAVELLKAERIGHGTSAIQDPELVKYLRENHIPIEICVTSNVFTGKYVRKEQNHPVRYYYDQGLPLSINTDDPEIFNVNLTYEYYKLWRFLDFSLDEIVDLIRQGVFASFHPNKESLWAEMEKNIHLVKTRYGLKR,./data/raw/alphafold//AF-Q72V44-F1-model_v4.pdb,77,2558,2852,5700
+2283,21442,21766,MNRDTSPDLHYLSGFGNEFASEALPGALPVGQNSPQKAPYGLYAELLSGTAFTMARSELRRTWLYRIRPSALHPRFERLARQPLGGPLGGINPNRLRWSPQPIPAEPTDFIEGWLPMAANAGAEKPAGVSIYIYRANRSMERVFFNADGELLLVPEQGRLRIATELGVMEVEPLEIAVIPRGMKFRVELLDGQARGYIAENHGAPLRLPDLGPIGSNGLANPRDFLTPVAHYEEAEGPVQLVQKFLGEHWACELQHSPLDVVAWHGSNVPYKYDLRRFNTIGTVSFDHPDPSIFTVLTSPTSVHGMANMDFVIFPPRWMVAENTFRPPWFHRNLMNEFMGLINGAYDAKAEGFLPGGASLHGVMSAHGPDAETCEKAIAADLAPHKIDNTMAFMFETSQVLRPSLQALECPQLQADYDSCWATLPSTFNPNRR,brenda,Q88E47,O=C(O)Cc1cc(O)ccc1O.O=O>>O=C(O)/C=C\C(=O)CC(=O)CC(=O)O,79.5,0.0,25.0,7.5,1.13.11.5,303.0,1.9003671286564705,O=C(O)Cc1cc(O)ccc1O.O=O,O=C(O)/C=C\C(=O)CC(=O)CC(=O)O,1.9003671286564705,O=C(O)Cc1cc(O)ccc1O.O=O__MNRDTSPDLHYLSGFGNEFASEALPGALPVGQNSPQKAPYGLYAELLSGTAFTMARSELRRTWLYRIRPSALHPRFERLARQPLGGPLGGINPNRLRWSPQPIPAEPTDFIEGWLPMAANAGAEKPAGVSIYIYRANRSMERVFFNADGELLLVPEQGRLRIATELGVMEVEPLEIAVIPRGMKFRVELLDGQARGYIAENHGAPLRLPDLGPIGSNGLANPRDFLTPVAHYEEAEGPVQLVQKFLGEHWACELQHSPLDVVAWHGSNVPYKYDLRRFNTIGTVSFDHPDPSIFTVLTSPTSVHGMANMDFVIFPPRWMVAENTFRPPWFHRNLMNEFMGLINGAYDAKAEGFLPGGASLHGVMSAHGPDAETCEKAIAADLAPHKIDNTMAFMFETSQVLRPSLQALECPQLQADYDSCWATLPSTFNPNRR,./data/raw/alphafold//AF-Q88E47-F1-model_v4.pdb,651,29,5735,6637
+2285,12098,12261,MRHLPYFCRGQVVRGFGRGSKQLGIPTANFPEQVVDNLPADISTGIYYGWASVGSGDVHKMVVSIGWNPYYKNTKKSMETHIMHTFKEDFYGEILNVAIVGYLRPEKNFDSLESLISAIQGDIEEAKKRLELPEHLKIKEDNFFQVSKSKIMNGH,brenda,Q969G6,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,1.7,0.0,25.0,7.0,2.7.1.26,9606.0,0.2304489213782739,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,0.2304489213782739,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O__MRHLPYFCRGQVVRGFGRGSKQLGIPTANFPEQVVDNLPADISTGIYYGWASVGSGDVHKMVVSIGWNPYYKNTKKSMETHIMHTFKEDFYGEILNVAIVGYLRPEKNFDSLESLISAIQGDIEEAKKRLELPEHLKIKEDNFFQVSKSKIMNGH,./data/raw/alphafold//AF-Q969G6-F1-model_v4.pdb,1986,4142,4007,3848