diff --git "a/datasets/splits/kcat-seq_test_sequence_20cluster.csv" "b/datasets/splits/kcat-seq_test_sequence_20cluster.csv"
new file mode 100644--- /dev/null
+++ "b/datasets/splits/kcat-seq_test_sequence_20cluster.csv"
@@ -0,0 +1,106 @@
+,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_20cluster,sequence_40cluster,sequence_60cluster,sequence_80cluster,sequence_99cluster
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+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,1178,2266,3931,1275,5981
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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,1276,2400,4101,1464,6183
+372,12766,12938,STLSSNDAKVVDGKATPLGSFPHVKRAGDFLYVSGTSSRRPDNTIAGAELDSTS,brenda,P81593,N/C(=C/C=C\C(=O)O)C(=O)O.O>>N.O=C(O)/C=C/C=C(\O)C(=O)O,208.0,0.0,25.0,6.6,3.5.99.11,301.0,2.318063334962761,N/C(=C/C=C\C(=O)O)C(=O)O.O,N.O=C(O)/C=C/C=C(\O)C(=O)O,2.318063334962761,N/C(=C/C=C\C(=O)O)C(=O)O.O__STLSSNDAKVVDGKATPLGSFPHVKRAGDFLYVSGTSSRRPDNTIAGAELDSTS,./data/raw/alphafold//AF-P81593-F1-model_v4.pdb,478,3231,2536,692,4051
+406,3198,3240,MCQATNGPSRVVTKKHRKFFERHLQLLPSSHQGHDVNRMAIIFYSISGLSIFDVNVSAKYGDHLGWMRKHYIKTVLDDTENTVISGFVGSLVMNIPHATTINLPNTLFALLSMIMLRDYEYFETILDKRSLARFVSKCQRPDRGSFVSCLDYKTNCGSSVDSDDLRFCYIAVAILYICGCRSKEDFDEYIDTEKLLGYIMSQQCYNGAFGAHNEPHSGYTSCALSTLALLSSLEKLSDKFKEDTITWLLHRQVSSHGCMKFESELNASYDQSDDGGFQGRENKFADTCYAFWCLNSLHLLTKDWKMLCQTELVTNYLLDRTQKTLTGGFSKNDEEDADLYHSCLGSAALALIEGKFNGELCIPQEIFNDFSKRCCF,uniprot_search,A0A8H4C2F5,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.CC(C)C[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N)CS)C(C)C)C(O)=N[C@@H](CO)C(=O)O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CSC[C@H](N)C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CO)C(=O)O)C(C)C.O=P(O)(O)OP(=O)(O)O,0.34,0.0,30.0,7.1,2.5.1.59,4932.0,-0.4685210829577448,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.CC(C)C[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N)CS)C(C)C)C(O)=N[C@@H](CO)C(=O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CSC[C@H](N)C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CO)C(=O)O)C(C)C.O=P(O)(O)OP(=O)(O)O,-0.4685210829577448,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.CC(C)C[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N)CS)C(C)C)C(O)=N[C@@H](CO)C(=O)O__MCQATNGPSRVVTKKHRKFFERHLQLLPSSHQGHDVNRMAIIFYSISGLSIFDVNVSAKYGDHLGWMRKHYIKTVLDDTENTVISGFVGSLVMNIPHATTINLPNTLFALLSMIMLRDYEYFETILDKRSLARFVSKCQRPDRGSFVSCLDYKTNCGSSVDSDDLRFCYIAVAILYICGCRSKEDFDEYIDTEKLLGYIMSQQCYNGAFGAHNEPHSGYTSCALSTLALLSSLEKLSDKFKEDTITWLLHRQVSSHGCMKFESELNASYDQSDDGGFQGRENKFADTCYAFWCLNSLHLLTKDWKMLCQTELVTNYLLDRTQKTLTGGFSKNDEEDADLYHSCLGSAALALIEGKFNGELCIPQEIFNDFSKRCCF,./data/raw/esmfold//ESMFold-A0A8H4C2F5-v1.pdb,2118,852,4570,3410,1537
+441,17386,17622,MVSIMNKNELITEILKNEVVKALGCTEVGLIGYTVAKAKPEDLYSIKEIKLILDKGTFKNAFSVGVPNTNKFGILPAVVGGLLGREENKLEVFKDIKYDEKLEEFIENKLKIEVIDSDVYCKVIIKANKVYEAETKGSHSGKSLSDDLKNAYKSLTLKDFIDYIEDIPEEVIKIIKETIETNKNLSTPEVPEDFISLDLKDEILNHMLKKTVSAVYNRMIGINKPAMAIAGSGNMGLTATLPIIAYDEIKGHDEEKLTKSITLSALTTIYSAYHSSYISAMCGCVNRGGIGAVSGLSYYIFGFDRIEESIKSFTANLPGIVCDGGKIGCALKIASGVFAIYLSLFSKVPYTNGIVGKDFKECIENIGKIGKAMKPVDDEIIEILKNKK,brenda,Q58431,N[C@@H](CS)C(=O)O.O>>CC(=O)C(=O)O.N.[S-2],39.6,0.7269160873453212,65.0,6.6,4.4.1.28,2190.0,1.5976951859255124,N[C@@H](CS)C(=O)O.O,CC(=O)C(=O)O.N.[S-2],1.5976951859255124,N[C@@H](CS)C(=O)O.O__MVSIMNKNELITEILKNEVVKALGCTEVGLIGYTVAKAKPEDLYSIKEIKLILDKGTFKNAFSVGVPNTNKFGILPAVVGGLLGREENKLEVFKDIKYDEKLEEFIENKLKIEVIDSDVYCKVIIKANKVYEAETKGSHSGKSLSDDLKNAYKSLTLKDFIDYIEDIPEEVIKIIKETIETNKNLSTPEVPEDFISLDLKDEILNHMLKKTVSAVYNRMIGINKPAMAIAGSGNMGLTATLPIIAYDEIKGHDEEKLTKSITLSALTTIYSAYHSSYISAMCGCVNRGGIGAVSGLSYYIFGFDRIEESIKSFTANLPGIVCDGGKIGCALKIASGVFAIYLSLFSKVPYTNGIVGKDFKECIENIGKIGKAMKPVDDEIIEILKNKK,./data/raw/alphafold//AF-Q58431-F1-model_v4.pdb,952,3856,3572,5192,5557
+450,19542,19828,MMFNKQIFTILILSLSLALAGSGCISEGAEDNVAQEITVDEFSNIRENPVTPWNPEPSAPVIDPTAYIDPQASVIGEVTIGANVMVSPMASIRSDEGMPIFVGDRSNVQDGVVLHALETINEEGEPIEDNIVEVDGKEYAVYIGNNVSLAHQSQVHGPAAVGDDTFIGMQAFVFKSKVGNNCVLEPRSAAIGVTIPDGRYIPAGMVVTSQAEADKLPEVTDDYAYSHTNEAVVYVNVHLAEGYKETS,brenda,P40881,O.O=C=O>>O=C(O)O,22900.0,5.682159936665122e-15,37.0,7.5,4.2.1.1,2210.0,4.359835482339888,O.O=C=O,O=C(O)O,4.798650645445269,O.O=C=O__MMFNKQIFTILILSLSLALAGSGCISEGAEDNVAQEITVDEFSNIRENPVTPWNPEPSAPVIDPTAYIDPQASVIGEVTIGANVMVSPMASIRSDEGMPIFVGDRSNVQDGVVLHALETINEEGEPIEDNIVEVDGKEYAVYIGNNVSLAHQSQVHGPAAVGDDTFIGMQAFVFKSKVGNNCVLEPRSAAIGVTIPDGRYIPAGMVVTSQAEADKLPEVTDDYAYSHTNEAVVYVNVHLAEGYKETS,./data/raw/alphafold//AF-P40881-F1-model_v4.pdb,1247,2360,4048,1404,6121
+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,32,1622,260,5974,2972
+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,771,3661,3281,4833,4957
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+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,1159,2240,3898,1238,5942
+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,994,2047,3655,5284,5663
+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,1195,2285,3952,1298,6009
+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,246,2898,739,216,3514
+1709,13885,14066,MEREMTPSEDFVVTDRGGIVENSHRVHAAVVDAKGRLLYALGNPTRMTLARSAAKPAQALAILETEGVAGYGFDDADIALMCASHSSEDRHIARTRAMLSKIKAEEADLRCGGHPSLSEMVNRSWIKQDFIPTAVCSNCSGKHVGMLAGARAIGAGTDGYHLPDHPMQGRVKRTVAELCDLDAGDVEWGTDGCNLPTPAFPLDRLGRIYAKLASAADGSDAGEGQSTRCAALAHIFRAMARHPEMVAGEGRYCTMLMRAFDGALVGKLGADASYAIGVRASDATRQLGTDGALGISVKIEDGNLEMLYAVVTELLERLGIGSPDVRSQLASFHHPQRVNTMGVTTGGVSFPFKLRGSKSNVDDPRLAAVAR,brenda,Q9RFN5,N=C(O)C[C@H](N)C(=O)O.O>>N.N[C@@H](CC(=O)O)C(=O)O,106.0,9.434028649044713e-15,37.0,7.5,3.5.1.1,29449.0,2.0253058652647704,N=C(O)C[C@H](N)C(=O)O.O,N.N[C@@H](CC(=O)O)C(=O)O,2.0253058652647704,N=C(O)C[C@H](N)C(=O)O.O__MEREMTPSEDFVVTDRGGIVENSHRVHAAVVDAKGRLLYALGNPTRMTLARSAAKPAQALAILETEGVAGYGFDDADIALMCASHSSEDRHIARTRAMLSKIKAEEADLRCGGHPSLSEMVNRSWIKQDFIPTAVCSNCSGKHVGMLAGARAIGAGTDGYHLPDHPMQGRVKRTVAELCDLDAGDVEWGTDGCNLPTPAFPLDRLGRIYAKLASAADGSDAGEGQSTRCAALAHIFRAMARHPEMVAGEGRYCTMLMRAFDGALVGKLGADASYAIGVRASDATRQLGTDGALGISVKIEDGNLEMLYAVVTELLERLGIGSPDVRSQLASFHHPQRVNTMGVTTGGVSFPFKLRGSKSNVDDPRLAAVAR,./data/raw/alphafold//AF-Q9RFN5-F1-model_v4.pdb,571,3353,2832,983,4376
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+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,0,1576,204,5901,2890
+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,1451,2669,1114,4009,6667
+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,1014,2071,3688,1007,5706
+2030,2181,2213,MSLPDGFYIRRMEEGDLEQVTETLKVLTTVGTITPESFSKLIKYWNEATVWNDNEDKKIMQYNPMVIVDKRTETVAATGNIIIERKIIHELGLCGHIEDIAVNSKYQGQGLGKLLIDQLVTIGFDYGCYKIILDCDEKNVKFYEKCGFSNAGVEMQIRK,sabio,P43577,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC1C(O)OC(COP(=O)(O)O)C(O)C1O>>CC(=O)NC1C(O)OC(COP(=O)(O)O)C(O)C1O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,747.0,0.0,30.0,7.5,2.3.1.4,4932.0,2.873320601815399,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC1C(O)OC(COP(=O)(O)O)C(O)C1O,CC(=O)NC1C(O)OC(COP(=O)(O)O)C(O)C1O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,2.873320601815399,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC1C(O)OC(COP(=O)(O)O)C(O)C1O__MSLPDGFYIRRMEEGDLEQVTETLKVLTTVGTITPESFSKLIKYWNEATVWNDNEDKKIMQYNPMVIVDKRTETVAATGNIIIERKIIHELGLCGHIEDIAVNSKYQGQGLGKLLIDQLVTIGFDYGCYKIILDCDEKNVKFYEKCGFSNAGVEMQIRK,./data/raw/alphafold//AF-P43577-F1-model_v4.pdb,2007,683,2339,3120,1204
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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,1164,2248,3908,1251,5955
+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,564,3343,2816,965,4357
+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,1164,2248,3908,1251,5955
+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,1469,2693,1143,4040,6702
+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,971,2016,3617,5245,5624
+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,187,1944,647,1543,5284
+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,376,3085,966,468,3801
+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,1145,2227,3879,1216,5919
+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,1068,2139,3769,1097,5799
+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,1442,2651,1090,1980,6637
+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,353,3048,924,422,3749