diff --git "a/datasets/splits/kcat-seq_test_sequence_40cluster.csv" "b/datasets/splits/kcat-seq_test_sequence_40cluster.csv"
new file mode 100644--- /dev/null
+++ "b/datasets/splits/kcat-seq_test_sequence_40cluster.csv"
@@ -0,0 +1,162 @@
+,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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+257,1893,1924,MSEEVSKNLSETLFVKHKQAKETSALTQYMPTSQSLLDEIKEKNGFSWYRNLRRLQWVWQGVDPIEQEQVLARIASSKHSRTDEQWLDTVMGYHSGNWAYEWTRLGMEHQKRAGEMTNEAASEALFSASLCYSIAGYPHLKSDNLAIQAQVLANSAYLEAAKKSKYIIKQLEIPFEKGKITAHLHLTNTDKPHPVVIVSAGLDSLQTDMWRLFRDHLAKHDIAMLTVDMPSVGYSSKYPLTEDYSRLHQAVLNELFSIPYVDHHRVGLIGFRFGGNAMVRLSFLEQEKIKACVILGAPIHDIFASPQKLQQMPKMYLDVLASRLGKSVVDIYSLSGQMAAWSLKVQGFLSSRKTKVPILAMSLEGDPVSPYSDNQMVAFFSTYGKAKKISSKTITQGYEQSLDLAIKWLEDELLR,sabio,Q8DF91,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CC(=O)O.O=[N+]([O-])c1ccc(O)cc1,0.67,0.0,25.0,,3.1.1.1,672.0,-0.1739251972991735,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)O.O=[N+]([O-])c1ccc(O)cc1,-0.1739251972991735,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O__MSEEVSKNLSETLFVKHKQAKETSALTQYMPTSQSLLDEIKEKNGFSWYRNLRRLQWVWQGVDPIEQEQVLARIASSKHSRTDEQWLDTVMGYHSGNWAYEWTRLGMEHQKRAGEMTNEAASEALFSASLCYSIAGYPHLKSDNLAIQAQVLANSAYLEAAKKSKYIIKQLEIPFEKGKITAHLHLTNTDKPHPVVIVSAGLDSLQTDMWRLFRDHLAKHDIAMLTVDMPSVGYSSKYPLTEDYSRLHQAVLNELFSIPYVDHHRVGLIGFRFGGNAMVRLSFLEQEKIKACVILGAPIHDIFASPQKLQQMPKMYLDVLASRLGKSVVDIYSLSGQMAAWSLKVQGFLSSRKTKVPILAMSLEGDPVSPYSDNQMVAFFSTYGKAKKISSKTITQGYEQSLDLAIKWLEDELLR,./data/raw/alphafold//AF-Q8DF91-F1-model_v4.pdb,1495,1044,869,1200
+337,21695,22020,MSVPTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKRKEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQGADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDVLMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEVSLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRADDPGLELKRLFFQERGAVVLGADPD,sabio,P20577,O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>O.O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=C=O,11.1,8.210314518691092,37.0,8.0,4.1.1.48,287.0,1.0453229787866574,O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-],O.O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=C=O,1.0453229787866574,O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]__MSVPTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKRKEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQGADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDVLMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEVSLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRADDPGLELKRLFFQERGAVVLGADPD,./data/raw/alphafold//AF-P20577-F1-model_v4.pdb,710,102,5815,6722
+338,18917,19198,MLAKMKKCGMYSLALILLSTMFLNGWNAKASAATPITSDFRSLQASQIVSEMGAGWNLGNQLEASLNGTPSETAWGNPMVTPELIKKVKAAGFKTIRIPVSYLNHIGSAPNYTINAAWLDRVKTVVDYAYNEGLYVIINIHGDGYNTVQGGWLLVNGSNQTAIKQKYEKVWQQIANKFVNYDERLILESMNEVFDGNYGNPNSAYYANLNAYNQIFVDTVRKTGGNNSARWLLIPGWNTNIDYTVGNYGFVVPTDTNRSSTIPSSEKRIMISAHYYSPWDFAGEENGTITQWGATATNPSKKSTWGQEDYLNSQLQSMYNKFVTQGYPVVLGEFGSIDKTSYDSTNNVYRAAFAKAVTATAKKYGAVPVYWDNGHNGQHGFALFNRSNNTVTQQGIINAIMQGMQ,sabio,Q3MUH8,O>>,12.7,94.74099395214304,45.0,6.0,3.2.1.151,58172.0,1.1038037209559568,O,,1.1038037209559568,O__MLAKMKKCGMYSLALILLSTMFLNGWNAKASAATPITSDFRSLQASQIVSEMGAGWNLGNQLEASLNGTPSETAWGNPMVTPELIKKVKAAGFKTIRIPVSYLNHIGSAPNYTINAAWLDRVKTVVDYAYNEGLYVIINIHGDGYNTVQGGWLLVNGSNQTAIKQKYEKVWQQIANKFVNYDERLILESMNEVFDGNYGNPNSAYYANLNAYNQIFVDTVRKTGGNNSARWLLIPGWNTNIDYTVGNYGFVVPTDTNRSSTIPSSEKRIMISAHYYSPWDFAGEENGTITQWGATATNPSKKSTWGQEDYLNSQLQSMYNKFVTQGYPVVLGEFGSIDKTSYDSTNNVYRAAFAKAVTATAKKYGAVPVYWDNGHNGQHGFALFNRSNNTVTQQGIINAIMQGMQ,./data/raw/alphafold//AF-Q3MUH8-F1-model_v4.pdb,204,2720,5030,5882
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+364,19736,20022,MRQPLAQLPAELESAIRRIAQTPHLLLALDFDGTMAPIVEHAEDARPLPRTAAALAALSALEGTTTALVSGRALGSLRMVAAPPAPTLLVGSHGAETWLGPDSPPLVLTAEQSATLELARAAVAQATSLYKGTVAEDKPAGVALHYRLASKADGHAAVELVMEALSGNPAIHISTGKKVLEISVIKANKGQSLVALREYTQATATLFAGDDVTDEHGFEVLRPGDVGIKVGKSQTHAEFRIPKPQDLPMVLELLLAARTNGRPHTT,brenda,E9NR87,O.O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,3.9,0.0,20.0,7.4,3.1.3.12,1667.0,0.5910646070264992,O.O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,1.1699681739968923,O.O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O__MRQPLAQLPAELESAIRRIAQTPHLLLALDFDGTMAPIVEHAEDARPLPRTAAALAALSALEGTTTALVSGRALGSLRMVAAPPAPTLLVGSHGAETWLGPDSPPLVLTAEQSATLELARAAVAQATSLYKGTVAEDKPAGVALHYRLASKADGHAAVELVMEALSGNPAIHISTGKKVLEISVIKANKGQSLVALREYTQATATLFAGDDVTDEHGFEVLRPGDVGIKVGKSQTHAEFRIPKPQDLPMVLELLLAARTNGRPHTT,./data/raw/alphafold//AF-E9NR87-F1-model_v4.pdb,338,2890,5219,6084
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+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
+682,17692,17934,MSSCQWSSFTRVSLSPFPLQPAQLNTALNLKKQCCFTKSSMEDSSSQGHQSAFQFLTKKPYEPPPWASLLSPIPSHTFSLGHFPTPIHKWNLPNLPKNTEVWLKRDDMSGMQLSGNKVRKLEFLLADAVAQGADCIVTIGGIQSNHCRATAVAAKYLNLDCYLILRTSKLLVDKDPGLTGNLLVDRLVGAHIDLVSKEEYAKVGGEALTKILKEKLLNEGRKPYVIPVGGSNSLGTWGYIEAIRELEQQLQHLSIEQKFDDIVVACGSGGTVAGLSIASMLSGLKAKINAFCVCDDPDYFYEYVQGLLDGITAGVSSRDIVSIKTAKGLGYALSTTDELKFVKQVAETTGVILDPVYSGKAAYGMMKDMGENPTKWEGRKILFIHTGGLLGLYDKADEIGSLMGKWRKMDINESIPRQDGIGKMF,brenda,B2MWN0,N[C@H](CS)C(=O)O.O>>CC(=O)C(=O)O.N.[S-2],13800.0,0.7269160873453212,30.0,7.6,4.4.1.15,4081.0,4.139879086401237,N[C@H](CS)C(=O)O.O,CC(=O)C(=O)O.N.[S-2],4.139879086401237,N[C@H](CS)C(=O)O.O__MSSCQWSSFTRVSLSPFPLQPAQLNTALNLKKQCCFTKSSMEDSSSQGHQSAFQFLTKKPYEPPPWASLLSPIPSHTFSLGHFPTPIHKWNLPNLPKNTEVWLKRDDMSGMQLSGNKVRKLEFLLADAVAQGADCIVTIGGIQSNHCRATAVAAKYLNLDCYLILRTSKLLVDKDPGLTGNLLVDRLVGAHIDLVSKEEYAKVGGEALTKILKEKLLNEGRKPYVIPVGGSNSLGTWGYIEAIRELEQQLQHLSIEQKFDDIVVACGSGGTVAGLSIASMLSGLKAKINAFCVCDDPDYFYEYVQGLLDGITAGVSSRDIVSIKTAKGLGYALSTTDELKFVKQVAETTGVILDPVYSGKAAYGMMKDMGENPTKWEGRKILFIHTGGLLGLYDKADEIGSLMGKWRKMDINESIPRQDGIGKMF,./data/raw/alphafold//AF-B2MWN0-F1-model_v4.pdb,2825,2400,2678,5519
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+923,700,719,MIVVLKPGSTEEDIRKVVKLAESYNLKCHISKGQERTVIGIIGDDRYVVADKFESLDCVESVVRVLKPYKLVSREFHPEDTVIDLGDVKIGNGYFTIIAGPCSVEGREMLMETAHFLSELGVKVLRGGAYKPRTSPYSFQGLGEKGLEYLREAADKYGMYVVTEALGEDDLPKVAEYADIIQIGARNAQNFRLLSKAGSYNKPVLLKRGFMNTIEEFLLSAEYIANSGNTKIILCERGIRTFEKATRNTLDISAVPIIRKESHLPILVDPSHSGGRRDLVIPLSRAAIAVGAHGIIVEVHPEPEKALSDGKQSLDFELFKELVQEMKKLADALGVKVN,brenda,Q9WYH8,C=C(OP(=O)(O)O)C(=O)O.O.O=C[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(O)C(=O)C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=P(O)(O)O,11.7,0.0,60.0,7.5,2.5.1.54,2336.0,1.0681858617461617,C=C(OP(=O)(O)O)C(=O)O.O.O=C[C@H](O)[C@H](O)COP(=O)(O)O,O=C(O)C(=O)C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=P(O)(O)O,1.0681858617461617,C=C(OP(=O)(O)O)C(=O)O.O.O=C[C@H](O)[C@H](O)COP(=O)(O)O__MIVVLKPGSTEEDIRKVVKLAESYNLKCHISKGQERTVIGIIGDDRYVVADKFESLDCVESVVRVLKPYKLVSREFHPEDTVIDLGDVKIGNGYFTIIAGPCSVEGREMLMETAHFLSELGVKVLRGGAYKPRTSPYSFQGLGEKGLEYLREAADKYGMYVVTEALGEDDLPKVAEYADIIQIGARNAQNFRLLSKAGSYNKPVLLKRGFMNTIEEFLLSAEYIANSGNTKIILCERGIRTFEKATRNTLDISAVPIIRKESHLPILVDPSHSGGRRDLVIPLSRAAIAVGAHGIIVEVHPEPEKALSDGKQSLDFELFKELVQEMKKLADALGVKVN,./data/raw/alphafold//AF-Q9WYH8-F1-model_v4.pdb,1147,749,445,511
+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
+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
+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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+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
+1412,18444,18704,MSYTYEYPKPSVTVDCVVFGLDATHTLKMMLIQRGVEPFKGEWALPGGFVRLDESLEEAAMRELREETGVEKIFLEQLYTFGAPDRDPRDRVITVAYYALINLEDHPIHAQTDADAVAWFSLDELPNVAFDHQQIIDVATQRLQGKLRYEPIGFELLPRKFTLTQLQKLYEQILGTQLDKRNFRRKILKMDLLIKLHELQTGVAHRAARLYSFDEAKYQRLKEAGFNFEL,brenda,Q83ZD0,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,1.8,2.951203143164617e-14,37.0,9.5,3.6.1.13,1131.0,0.255272505103306,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,0.255272505103306,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O__MSYTYEYPKPSVTVDCVVFGLDATHTLKMMLIQRGVEPFKGEWALPGGFVRLDESLEEAAMRELREETGVEKIFLEQLYTFGAPDRDPRDRVITVAYYALINLEDHPIHAQTDADAVAWFSLDELPNVAFDHQQIIDVATQRLQGKLRYEPIGFELLPRKFTLTQLQKLYEQILGTQLDKRNFRRKILKMDLLIKLHELQTGVAHRAARLYSFDEAKYQRLKEAGFNFEL,./data/raw/alphafold//AF-Q83ZD0-F1-model_v4.pdb,102,2588,2886,5734
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+1660,1628,1658,MNVLRSGIVTMLLLAAFSVQAACTWPAWEQFKKDYISQEGRVIDPSDARKITTSEGQSYGMFSALAANDRAAFDNILDWTQNNLAQGSLKERLPAWLWGKKENSKWEVLDSNSASDGDVWMAWSLLEAGRLWKEQRYTDIGSALLKRIAREEVVTVPGLGSMLLPGKVGFAEDNSWRFNPSYLPPTLAQYFTRFGAPWTTLRETNQRLLLETAPKGFSPDWVRYEKDKGWQLKAEKTLISSYDAIRVYMWVGMMPDSDPQKARMLNRFKPMATFTEKNGYPPEKVDVATGKAQGKGPVGFSAAMLPFLQNRDAQAVQRQRVADNFPGSDAYYNYVLTLFGQGWDQHRFRFSTKGELLPDWGQECANSH,brenda,P37651,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,0.16,17.76757651139449,40.0,7.0,3.2.1.4,562.0,-0.7958800173440752,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,-0.7958800173440752,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO__MNVLRSGIVTMLLLAAFSVQAACTWPAWEQFKKDYISQEGRVIDPSDARKITTSEGQSYGMFSALAANDRAAFDNILDWTQNNLAQGSLKERLPAWLWGKKENSKWEVLDSNSASDGDVWMAWSLLEAGRLWKEQRYTDIGSALLKRIAREEVVTVPGLGSMLLPGKVGFAEDNSWRFNPSYLPPTLAQYFTRFGAPWTTLRETNQRLLLETAPKGFSPDWVRYEKDKGWQLKAEKTLISSYDAIRVYMWVGMMPDSDPQKARMLNRFKPMATFTEKNGYPPEKVDVATGKAQGKGPVGFSAAMLPFLQNRDAQAVQRQRVADNFPGSDAYYNYVLTLFGQGWDQHRFRFSTKGELLPDWGQECANSH,./data/raw/alphafold//AF-P37651-F1-model_v4.pdb,1427,945,748,1044
+1668,8308,8437,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,uniprot_search,Q05957,CC[C@](O)(C(=O)O)[C@H](C)C(=O)O.O>>,8.4,99.48766029828415,25.0,7.5,3.7.1.1,3570.0,0.9242792860618816,CC[C@](O)(C(=O)O)[C@H](C)C(=O)O.O,,0.9242792860618816,CC[C@](O)(C(=O)O)[C@H](C)C(=O)O.O__MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,./data/raw/alphafold//AF-Q05957-F1-model_v4.pdb,3390,2273,3968,2848
+1681,18817,19094,MEHKEVVLLLLLFLKSGQGEPLDDYVNTQGASLFSVTKKQLGAGSIEECAAKCEEDEEFTCRAFQYHSKEQQCVIMAENRKSSIIIRMRDVVLFEKKVYLSECKTGNGKNYRGTMSKTKNGITCQKWSSTSPHRPRFSPATHPSEGLEENYCRNPDNDPQGPWCYTTDPEKRYDYCDILECEEECMHCSGENYDGKISKTMSGLECQAWDSQSPHAHGYIPSKFPNKNLKKNYCRNPDRELRPWCFTTDPNKRWELCDIPRCTTPPPSSGPTYQCLKGTGENYRGNVAVTVSGHTCQHWSAQTPHTHNRTPENFPCKNLDENYCRNPDGKRAPWCHTTNSQVRWEYCKIPSCDSSPVSTEQLAPTAPPELTPVVQDCYHGDGQSYRGTSSTTTTGKKCQSWSSMTPHRHQKTPENYPNAGLTMNYCRNPDADKGPWCFTTDPSVRWEYCNLKKCSGTEASVVAPPPVVLLPDVETPSEEDCMFGNGKGYRGKRATTVTGTPCQDWAAQEPHRHSIFTPETNPRAGLEKNYCRNPDGDVGGPWCYTTNPRKLYDYCDVPQCAAPSFDCGKPQVEPKKCPGRVVGGCVAHPHSWPWQVSLRTRFGMHFCGGTLISPEWVLTAAHCLEKSPRPSSYKVILGAHQEVNLEPHVQEIEVSRLFLEPTRKDIALLKLSSPAVITDKVIPACLPSPNYVVADRTECFITGWGETQGTFGAGLLKEAQLPVIENKVCNRYEFLNGRVQSTELCAGHLAGGTDSCQGDSGGPLVCFEKDKYILQGVTSWGLGCARPNKPGVYVRVSRFVTWIEGVMRNN,sabio,P00747,O>>O=[N+]([O-])c1ccc(O)cc1,0.011,76.58181818181816,21.0,6.2,3.4.21.7,9606.0,-1.958607314841775,O,O=[N+]([O-])c1ccc(O)cc1,-1.958607314841775,O__MEHKEVVLLLLLFLKSGQGEPLDDYVNTQGASLFSVTKKQLGAGSIEECAAKCEEDEEFTCRAFQYHSKEQQCVIMAENRKSSIIIRMRDVVLFEKKVYLSECKTGNGKNYRGTMSKTKNGITCQKWSSTSPHRPRFSPATHPSEGLEENYCRNPDNDPQGPWCYTTDPEKRYDYCDILECEEECMHCSGENYDGKISKTMSGLECQAWDSQSPHAHGYIPSKFPNKNLKKNYCRNPDRELRPWCFTTDPNKRWELCDIPRCTTPPPSSGPTYQCLKGTGENYRGNVAVTVSGHTCQHWSAQTPHTHNRTPENFPCKNLDENYCRNPDGKRAPWCHTTNSQVRWEYCKIPSCDSSPVSTEQLAPTAPPELTPVVQDCYHGDGQSYRGTSSTTTTGKKCQSWSSMTPHRHQKTPENYPNAGLTMNYCRNPDADKGPWCFTTDPSVRWEYCNLKKCSGTEASVVAPPPVVLLPDVETPSEEDCMFGNGKGYRGKRATTVTGTPCQDWAAQEPHRHSIFTPETNPRAGLEKNYCRNPDGDVGGPWCYTTNPRKLYDYCDVPQCAAPSFDCGKPQVEPKKCPGRVVGGCVAHPHSWPWQVSLRTRFGMHFCGGTLISPEWVLTAAHCLEKSPRPSSYKVILGAHQEVNLEPHVQEIEVSRLFLEPTRKDIALLKLSSPAVITDKVIPACLPSPNYVVADRTECFITGWGETQGTFGAGLLKEAQLPVIENKVCNRYEFLNGRVQSTELCAGHLAGGTDSCQGDSGGPLVCFEKDKYILQGVTSWGLGCARPNKPGVYVRVSRFVTWIEGVMRNN,./data/raw/alphafold//AF-P00747-F1-model_v4.pdb,178,2687,2993,5843
+1683,17937,18186,MSTEGGGRRCQAQVSRRISFSASHRLYSKFLSDEENLKLFGKCNNPNGHGHNYKVVVTVHGEIDPATGMVMNLADLKKYMEEAIMQPLDHKNLDMDVPYFADVVSTTENVAVYIWDNLQKVLPVGVLYKVKVYETDNNIVVYKGE,sabio,Q03393,Nc1nc2c(c(=O)[nH]1)N=C(C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CN2>>CC(=O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O,0.032,1.7201960229912993e-14,37.0,7.4,4.2.3.12,9606.0,-1.494850021680094,Nc1nc2c(c(=O)[nH]1)N=C(C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CN2,CC(=O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O,-1.4814860601221125,Nc1nc2c(c(=O)[nH]1)N=C(C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CN2__MSTEGGGRRCQAQVSRRISFSASHRLYSKFLSDEENLKLFGKCNNPNGHGHNYKVVVTVHGEIDPATGMVMNLADLKKYMEEAIMQPLDHKNLDMDVPYFADVVSTTENVAVYIWDNLQKVLPVGVLYKVKVYETDNNIVVYKGE,./data/raw/alphafold//AF-Q03393-F1-model_v4.pdb,2860,2444,2723,5564
+1685,18997,19282,MTREKNPLPITFYQKTALELAPSLLGCLLVKETDEGTASGYIVETEAYMGAGDRAAHSFNNRRTKRTEIMFAEAGRVYTYVMHTHTLLNVVAAEEDVPQAVLIRAIEPHEGQLLMEERRPGRSPREWTNGPGKLTKALGVTMNDYGRWITEQPLYIESGYTPEAISTGPRIGIDNSGEARDYPWRFWVTGNRYVSR,sabio,P94378,O>>O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,3.18,87.10852097868015,37.0,7.5,3.2.2.21,1423.0,0.5024271199844327,O,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,0.7781512503836436,O__MTREKNPLPITFYQKTALELAPSLLGCLLVKETDEGTASGYIVETEAYMGAGDRAAHSFNNRRTKRTEIMFAEAGRVYTYVMHTHTLLNVVAAEEDVPQAVLIRAIEPHEGQLLMEERRPGRSPREWTNGPGKLTKALGVTMNDYGRWITEQPLYIESGYTPEAISTGPRIGIDNSGEARDYPWRFWVTGNRYVSR,./data/raw/alphafold//AF-P94378-F1-model_v4.pdb,223,2741,5053,5910
+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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+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
+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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+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
+2174,13661,13839,MTENIHKHRILILDFGSQYTQLVARRVRELGVYCELWAWDVTEAQIRDFNPSGIILSGGPESTTEENSPRAPQYVFEAGVPVFGVCYGMQTMAMQLGGHVEASNEREFGYAQVEVVNDSALVRGIEDALTADGKPLLDVWMSHGDKVTAIPSDFITVASTESCPFAIMANEEKRFYGVQFHPEVTHTRQGMRMLERFVRDICQCEALWTPAKIIDDAVARIREQVGDDKVILGLSGGVDSSVTAMLLHRAIGKNLTCVFVDNGLLRLNEAEQVLDMFGDHFGLNIVHVPAEDRFLSALAGENDPEAKRKIIGRVFVEVFDEEALKLEDVKWLAQGTIYPDVIESAASATGKAHVIKSHHNVGGLPKEMKMGLVEPLKELFKDEVRKIGLELGLPYDMLYRHPFPGPGLGVRVLGEVKKEYCDLLRRADAIFIEELRKADLYDKVSQAFTVFLPVRSVGVMGDGRKYDWVVSLRAVETIDFMTAHWAHLPYDFLGRVSNRIINEVNGISRVVYDISGKPPATIEWE,brenda,P04079,N=C(O)CC[C@H](N)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.O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O>>N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,13.3,0.0,37.0,8.5,6.3.5.2,562.0,1.1238516409670858,N=C(O)CC[C@H](N)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.O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,1.3617278360175928,N=C(O)CC[C@H](N)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.O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O__MTENIHKHRILILDFGSQYTQLVARRVRELGVYCELWAWDVTEAQIRDFNPSGIILSGGPESTTEENSPRAPQYVFEAGVPVFGVCYGMQTMAMQLGGHVEASNEREFGYAQVEVVNDSALVRGIEDALTADGKPLLDVWMSHGDKVTAIPSDFITVASTESCPFAIMANEEKRFYGVQFHPEVTHTRQGMRMLERFVRDICQCEALWTPAKIIDDAVARIREQVGDDKVILGLSGGVDSSVTAMLLHRAIGKNLTCVFVDNGLLRLNEAEQVLDMFGDHFGLNIVHVPAEDRFLSALAGENDPEAKRKIIGRVFVEVFDEEALKLEDVKWLAQGTIYPDVIESAASATGKAHVIKSHHNVGGLPKEMKMGLVEPLKELFKDEVRKIGLELGLPYDMLYRHPFPGPGLGVRVLGEVKKEYCDLLRRADAIFIEELRKADLYDKVSQAFTVFLPVRSVGVMGDGRKYDWVVSLRAVETIDFMTAHWAHLPYDFLGRVSNRIINEVNGISRVVYDISGKPPATIEWE,./data/raw/alphafold//AF-P04079-F1-model_v4.pdb,2281,4605,4629,4456
+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
+2182,5036,5121,MRATLATLAVLALATAVQSDSRARIVCYFSNWAVYRPGVGRYGIEDIPVEKCTHIIYSFIGVTEGNSEVLIIDPELDVDKNGFRNFTSLRSSHPSVKFMVAVGGWAEGSSKYSHMVAQKSTRMSFIRSVVSFLKKYDFDGLDLDWEYPGAADRGGSFSDKDKFLYLVQELRRAFIRVGKGWELTAAVPLANFRLMEGYHVPELCQELDAIHVMSYDLRGNWAGFADVHSPLYKRPHDQWAYEKLNVNDGLHLWEEKGCPSNKLVVGIPFYGRSFTLSAGNNNYGLGTFINKEAGGGDPAPYTNATGFWAYYEICTEVDKDDSGWTKKWDEQGKCPYAYKGTQWVGYEDPRSVEIKMNWIKQKGYLGAMTWAIDMDDFQGLCGEKNPLIKILHKHMSSYTVPPPHTENTTPTPEWARPPSTPSDPSEGDPIPTTTTAKPASTTKTTVKTTTTTTAKPPQSVIDEENDINVRPEPKPEPQPEPEVEVPPTENEVDGSEICNSDQDYIPDKKHCDKYWRCVNGEAMQFSCQHGTVFNVELNVCDWPSNATRRECQQP,uniprot_search,P36362,CC(O)=N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O.O>>CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.Cc1cc(=O)oc2cc(O)ccc12,0.17,1.4135442131430816e-14,30.0,7.4,3.2.1.14,7130.0,-0.7695510786217261,CC(O)=N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.Cc1cc(=O)oc2cc(O)ccc12,-0.1191864077192086,CC(O)=N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O.O__MRATLATLAVLALATAVQSDSRARIVCYFSNWAVYRPGVGRYGIEDIPVEKCTHIIYSFIGVTEGNSEVLIIDPELDVDKNGFRNFTSLRSSHPSVKFMVAVGGWAEGSSKYSHMVAQKSTRMSFIRSVVSFLKKYDFDGLDLDWEYPGAADRGGSFSDKDKFLYLVQELRRAFIRVGKGWELTAAVPLANFRLMEGYHVPELCQELDAIHVMSYDLRGNWAGFADVHSPLYKRPHDQWAYEKLNVNDGLHLWEEKGCPSNKLVVGIPFYGRSFTLSAGNNNYGLGTFINKEAGGGDPAPYTNATGFWAYYEICTEVDKDDSGWTKKWDEQGKCPYAYKGTQWVGYEDPRSVEIKMNWIKQKGYLGAMTWAIDMDDFQGLCGEKNPLIKILHKHMSSYTVPPPHTENTTPTPEWARPPSTPSDPSEGDPIPTTTTAKPASTTKTTVKTTTTTTAKPPQSVIDEENDINVRPEPKPEPQPEPEVEVPPTENEVDGSEICNSDQDYIPDKKHCDKYWRCVNGEAMQFSCQHGTVFNVELNVCDWPSNATRRECQQP,./data/raw/alphafold//AF-P36362-F1-model_v4.pdb,3074,1829,3456,2264
+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