Upload folder using huggingface_hub (part 2)

.gitattributes

@@ -1,3 +1,4 @@
 weight/**/*.npz filter=lfs diff=lfs merge=lfs -text
 weight/**/*.tar filter=lfs diff=lfs merge=lfs -text
 scripts/paper_resources/extras/top1_benchmark_1_2_pdbs.zip filter=lfs diff=lfs merge=lfs -text
+scripts/paper_resources/figures/data/benchmark3/pairs_validation.json filter=lfs diff=lfs merge=lfs -text

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7EGF.json

@@ -0,0 +1,92 @@
+{
+  "cF": {
+    "name": "cF",
+    "chain_names": [
+      "c"
+    ],
+    "start_res": 1,
+    "end_res": 929,
+    "sequence": "MCESYSRSLLRVSVAQICQALGWDSVQLSACHLLTDVLQRYLQQLGRGCHRYSELYGRTDPILDDVGEAFQLMGVSLHELEDYIHNIEPVTFPHQIPSFPVSKNNVLQFPQPGSKDAEERKEYIPDYLPPIVSSQEEEEEEQVPTDGGTSAEAMQVPLEEDDELEEEEIINDENFLGKRPLDSPEAEELPAMKRPRLLSTKGDTLDVVLLEAREPLSSINTQKIPPMLSPVHVQDSTDLAPPSPEPPMLAPVAKSQMPTAKPLETKSFTPKTKTKTSSPGQKTKSPKTAQSPAMVGSPIRSPKTVSKEKKSPGRSKSPKSPKSPKVTTHIPQTPVRPETPNRTPSATLSEKISKETIQVKQIQTPPDAGKLNSENQPKKAVVADKTIEASIDAVIARACAEREPDPFEFSSGSESEGDIFTSPKRISGPECTTPKASTSANNFTKSGSTPLPLSGGTSSSDNSWTMDASIDEVVRKAKLGTPSNMPPNFPYISSPSVSPPTPEPLHKVYEEKTKLPSSVEVKKKLKKELKTKMKKKEKQRDREREKDKNKDKSKEKDKVKEKEKDKETGRETKYPWKEFLKEEEADPYKFKIKEFEDVDPKVKLKDGLVRKEKEKHKDKKKDREKGKKDKDKREKEKVKDKGREDKMKAPAPPLVLPPKELALPLFSPATASRVPAMLPSLLPVLPEKLFEEKEKVKEKEKKKDKKEKKKKKEKEKEKKEKEREKEKREREKREKEKEKHKHEKIKVEPVALAPSPVIPRLTLRVGAGQDKIVISKVVPAPEAKPAPSQNRPKTPPPAPAPAPGPMLVSPAPVPLPLLAQAAAGPALLPSPGPAASGASAKAPVRSVVTETVSTYVIRDEWGNQIWICPGCNKPDDGSPMIGCDDCDDWYHWPCVGIMTAPPEEMQWFCPKCANKKKDKKHKKRKHRAH"
+  },
+  "jF": {
+    "name": "jF",
+    "chain_names": [
+      "j"
+    ],
+    "start_res": 1,
+    "end_res": 218,
+    "sequence": "MSCSGSGADPEAAPASAASAPGPAPPVSAPAALPSSTAAENKASPAGTAGGPGAGAAAGGTGPLAARAGEPAERRGAAPVSAGGAAPPEGAISNGVYVLPSAANGDVKPVVSSTPLVDFLMQLEDYTPTIPDAVTGYYLNRAGFEASDPRIIRLISLAAQKFISDIANDALQHCKMKGTASGSSRSKSKDRKYTLTMEDLTPALSEYGINVKKPHYFT"
+  },
+  "iF": {
+    "name": "iF",
+    "chain_names": [
+      "i"
+    ],
+    "start_res": 1,
+    "end_res": 264,
+    "sequence": "MESGKTASPKSMPKDAQMMAQILKDMGITEYEPRVINQMLEFAFRYVTTILDDAKIYSSHAKKATVDADDVRLAIQCRADQSFTSPPPRDFLLDIARQRNQTPLPLIKPYSGPRLPPDRYCLTAPNYRLKSLQKKASTSAGRITVPRLSVGSVTSRPSTPTLGTPTPQTMSVSTKVGTPMSLTGQRFTVQMPTSQSPAVKASIPATSAVQNVLINPSLIGSKNILITTNMMSSQNTANESSNALKRKREDDDDDDDDDDDYDNL"
+  },
+  "eF": {
+    "name": "eF",
+    "chain_names": [
+      "e"
+    ],
+    "start_res": 1,
+    "end_res": 800,
+    "sequence": "MAALAEEQTEVAVKLEPEGPPTLLPPQAGDGAGEGSGGTTNNGPNGGGGNVAASSSTGGDGGTPKPTVAVSAAAPAGAAPVPAAAPDAGAPHDRQTLLAVLQFLRQSKLREAEEALRREAGLLEEAVAGSGAPGEVDSAGAEVTSALLSRVTASAPGPAAPDPPGTGASGATVVSGSASGPAAPGKVGSVAVEDQPDVSAVLSAYNQQGDPTMYEEYYSGLKHFIECSLDCHRAELSQLFYPLFVHMYLELVYNQHENEAKSFFEKFHGDQECYYQDDLRVLSSLTKKEHMKGNETMLDFRTSKFVLRISRDSYQLLKRHLQEKQNNQIWNIVQEHLYIDIFDGMPRSKQQIDAMVGSLAGEAKREANKSKVFFGLLKEPEIEVPLDDEDEEGENEEGKPKKKKPKKDSIGSKSKKQDPNAPPQNRIPLPELKDSDKLDKIMNMKETTKRVRLGPDCLPSICFYTFLNAYQGLTAVDVTDDSSLIAGGFADSTVRVWSVTPKKLRSVKQASDLSLIDKESDDVLERIMDEKTASELKILYGHSGPVYGASFSPDRNYLLSSSEDGTVRLWSLQTFTCLVGYKGHNYPVWDTQFSPYGYYFVSGGHDRVARLWATDHYQPLRIFAGHLADVNCTRFHPNSNYVATGSADRTVRLWDVLNGNCVRIFTGHKGPIHSLTFSPNGRFLATGATDGRVLLWDIGHGLMVGELKGHTDTVCSLRFSRDGEILASGSMDNTVRLWDAIKAFEDLETDDFTTATGHINLPENSQELLLGTYMTKSTPVVHLHFTRRNLVLAAGAYSPQ"
+  },
+  "fF": {
+    "name": "fF",
+    "chain_names": [
+      "f"
+    ],
+    "start_res": 1,
+    "end_res": 677,
+    "sequence": "MAEEKKLKLSNTVLPSESMKVVAESMGIAQIQEETCQLLTDEVSYRIKEIAQDALKFMHMGKRQKLTTSDIDYALKLKNVEPLYGFHAQEFIPFRFASGGGRELYFYEEKEVDLSDIINTPLPRVPLDVCLKAHWLSIEGCQPAIPENPPPAPKEQQKAEATEPLKSAKPGQEEDGPLKGKGQGATTADGKGKEKKAPPLLEGAPLRLKPRSIHELSVEQQLYYKEITEACVGSCEAKRAEALQSIATDPGLYQMLPRFSTFISEGVRVNVVQNNLALLIYLMRMVKALMDNPTLYLEKYVHELIPAVMTCIVSRQLCLRPDVDNHWALRDFAARLVAQICKHFSTTTNNIQSRITKTFTKSWVDEKTPWTTRYGSIAGLAELGHDVIKTLILPRLQQEGERIRSVLDGPVLSNIDRIGADHVQSLLLKHCAPVLAKLRPPPDNQDAYRAEFGSLGPLLCSQVVKARAQAALQAQQVNRTTLTITQPRPTLTLSQAPQPGPRTPGLLKVPGSIALPVQTLVSARAAAPPQPSPPPTKFIVMSSSSSAPSTQQVLSLSTSAPGSGSTTTSPVTTTVPSVQPIVKLVSTATTAPPSTAPSGPGSVQKYIVVSLPPTGEGKGGPTSHPSPVPPPASSPSPLSGSALCGGKQEAGDSPPPAPGTPKANGSQPNSGSPQPAP"
+  },
+  "dF": {
+    "name": "dF",
+    "chain_names": [
+      "d"
+    ],
+    "start_res": 1,
+    "end_res": 1085,
+    "sequence": "MAAGSDLLDEVFFNSEVDEKVVSDLVGSLESQLAASAAHHHHLAPRTPEVRAAAAGALGNHVVSGSPAGAAGAGPAAPAEGAPGAAPEPPPAGRARPGGGGPQRPGPPSPRRPLVPAGPAPPAAKLRPPPEGSAGSCAPVPAAAAVAAGPEPAPAGPAKPAGPAALAARAGPGPGPGPGPGPGPGPGKPAGPGAAQTLNGSAALLNSHHAAAPAVSLVNNGPAALLPLPKPAAPGTVIQTPPFVGAAAPPAPAAPSPPAAPAPAAPAAAPPPPPPAPATLARPPGHPAGPPTAAPAVPPPAAAQNGGSAGAAPAPAPAAGGPAGVSGQPGPGAAAAAPAPGVKAESPKRVVQAAPPAAQTLAASGPASTAASMVIGPTMQGALPSPAAVPPPAPGTPTGLPKGAAGAVTQSLSRTPTATTSGIRATLTPTVLAPRLPQPPQNPTNIQNFQLPPGMVLVRSENGQLLMIPQQALAQMQAQAHAQPQTTMAPRPATPTSAPPVQISTVQAPGTPIIARQVTPTTIIKQVSQAQTTVQPSATLQRSPGVQPQLVLGGAAQTASLGTATAVQTGTPQRTVPGATTTSSAATETMENVKKCKNFLSTLIKLASSGKQSTETAANVKELVQNLLDGKIEAEDFTSRLYRELNSSPQPYLVPFLKRSLPALRQLTPDSAAFIQQSQQQPPPPTSQATTALTAVVLSSSVQRTAGKTAATVTSALQPPVLSLTQPTQVGVGKQGQPTPLVIQQPPKPGALIRPPQVTLTQTPMVALRQPHNRIMLTTPQQIQLNPLQPVPVVKPAVLPGTKALSAVSAQAAAAQKNKLKEPGGGSFRDDDDINDVASMAGVNLSEESARILATNSELVGTLTRSCKDETFLLQAPLQRRILEIGKKHGITELHPDVVSYVSHATQQRLQNLVEKISETAQQKNFSYKDDDRYEQASDVRAQLKFFEQLDQIEKQRKDEQEREILMRAAKSRSRQEDPEQLRLKQKAKEMQQQELAQMRQRDANLTALAAIGPRKKRKVDCPGPGSGAEGSGPGSVVPGSSGVGTPRQFTRQRITRVNLRDLIFCLENERETSHSLLLYKAFLK"
+  },
+  "kF": {
+    "name": "kF",
+    "chain_names": [
+      "k"
+    ],
+    "start_res": 1,
+    "end_res": 211,
+    "sequence": "MDDAHESPSDKGGETGESDETAAVPGDPGATDTDGIPEETDGDADVDLKEAAAEEGELESQDVSDLTTVEREDSSLLNPAAKKLKIDTKEKKEKKQKVDEDEIQKMQILVSSFSEEQLNRYEMYRRSAFPKAAIKRLIQSITGTSVSQNVVIAMSGISKVFVGEVVEEALDVCEKWGEMPPLQPKHMREAVRRLKSKGQIPNSKHKKIIFF"
+  },
+  "mF": {
+    "name": "mF",
+    "chain_names": [
+      "m"
+    ],
+    "start_res": 1,
+    "end_res": 124,
+    "sequence": "MADEEEDPTFEEENEEIGGGAEGGQGKRKRLFSKELRCMMYGFGDDQNPYTESVDILEDLVIEFITEMTHKAMSIGRQGRVQVEDIVFLIRKDPRKFARVKDLLTMNEELKRARKAFDEANYGS"
+  },
+  "PF": {
+    "name": "PF",
+    "chain_names": [
+      "P"
+    ],
+    "start_res": 1,
+    "end_res": 339,
+    "sequence": "MDQNNSLPPYAQGLASPQGAMTPGIPIFSPMMPYGTGLTPQPIQNTNSLSILEEQQRQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQAVAAAAVQQSTSQQATQGTSGQAPQLFHSQTLTTAPLPGTTPLYPSPMTPMTPITPATPASESSGIVPQLQNIVSTVNLGCKLDLKTIALRARNAEYNPKRFAAVIMRIREPRTTALIFSSGKMVCTGAKSEEQSRLAARKYARVVQKLGFPAKFLDFKIQNMVGSCDVKFPIRLEGLVLTHQQFSSYEPELFPGLIYRMIKPRIVLLIFVSGKVVLTGAKVRAEIYEAFENIYPILKGFRKTT"
+  },
+  "lF": {
+    "name": "lF",
+    "chain_names": [
+      "l"
+    ],
+    "start_res": 1,
+    "end_res": 161,
+    "sequence": "MNQFGPSALINLSNFSSIKPEPASTPPQGSMANSTAVVKIPGTPGAGGRLSPENNQVLTKKKLQDLVREVDPNEQLDEDVEEMLLQIADDFIESVVTAACQLARHRKSSTLEVKDVQLHLERQWNMWIPGFGSEEIRPYKKACTTEAHKQRMALIRKTTKK"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7JG5.json

@@ -0,0 +1,94 @@
+{
+  "HF": {
+    "name": "HF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "end_res": 121,
+    "sequence": "MADLNVEIVAVERELWSGPATFVFTRTTAGEIGILPRHIPLVAQLVDDAMVRVEREGEDDLRIAVDGGFLSVTEETVRILVENAQFESEIDADAAKEDAASDDERTAAWGRARLRALGQID"
+  },
+  "GF": {
+    "name": "GF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "end_res": 307,
+    "sequence": "MAATLRELRGRIRSAGSIKKITKAQELIATSRIAKAQARVEAARPYAAEITNMLTELAGASALDHPLLVERKQPKRAGVLVVSSDRGLCGAYNANVLRRAEELFSLLRDEGKDPVLYVVGRKALGYFSFRQRTVVESWTGFSERPTYENAREIADTLVNAFMAGADDEGDDAGADGILGVDELHIVFTEFRSMLSQTAVARRAAPMEVEYVGEVETGPRTLYSFEPDPETLFDALLPRYIATRVYAALLEAAASESASRRRAMKSATDNADDLIKALTLAANRERQAQITQEISEIVGGANALAGSK"
+  },
+  "1F": {
+    "name": "1F",
+    "chain_names": [
+      "1",
+      "2",
+      "3",
+      "4",
+      "5",
+      "6",
+      "7",
+      "8",
+      "9"
+    ],
+    "start_res": 1,
+    "end_res": 86,
+    "sequence": "MDLDPNAIITAGALIGGGLIMGGGAIGAGIGDGIAGNALISGIARQPEAQGRLFTPFFITVGLVEAAYFINLAFMALFVFATPGLQ"
+  },
+  "dF": {
+    "name": "dF",
+    "chain_names": [
+      "d"
+    ],
+    "start_res": 1,
+    "end_res": 445,
+    "sequence": "MSIFIGQLIGFAVIAFIIVKWVVPPVRTLMRNQQEAVRAALAESAEAAKKLADADAMHAKALADAKAESEKVTEEAKQDSERIAAQLSEQAGSEAERIKAQGAQQIQLMRQQLIRQLRTGLGAEAVNKAAEIVRAHVADPQAQSATVDRFLSELEQMAPSSVVIDTAATSRLRAASRQSLAALVEKFDSVAGGLDADGLTNLADELASVAKLLLSETALNKHLAEPTDDSAPKVRLLERLLSDKVSATTLDLLRTAVSNRWSTESNLIDAVEHTARLALLKRAEIAGEVDEVEEQLFRFGRVLDAEPRLSALLSDYTTPAEGRVALLDKALTGRPGVNQTAAALLSQTVGLLRGERADEAVIDLAELAVSRRGEVVAHVSAAAELSDAQRTRLTEVLSRIYGRPVSVQLHVDPELLGGLSITVGDEVIDGSIASRLAAAQTGLPD"
+  },
+  "DF": {
+    "name": "DF",
+    "chain_names": [
+      "D",
+      "E",
+      "F"
+    ],
+    "start_res": 1,
+    "end_res": 475,
+    "sequence": "MTATAEKTAGRVVRITGPVVDVEFPRGSVPELFNALHAEITFGALAKTLTLEVAQHLGDSLVRCISMQPTDGLVRGVEVTDTGASISVPVGDGVKGHVFNALGDCLDDPGYGKDFEHWSIHRKPPAFSDLEPRTEMLETGLKVVDLLTPYVRGGKIALFGGAGVGKTVLIQEMINRIARNFGGTSVFAGVGERTREGNDLWVELADANVLKDTALVFGQMDEPPGTRMRVALSALTMAEFFRDEQGQDVLLFIDNIFRFTQAGSEVSTLLGRMPSAVGYQPTLADEMGELQERITSTRGRSITSMQAVYVPADDYTDPAPATTFAHLDATTELSRAVFSKGIFPAVDPLASSSTILDPAIVGDEHYRVAQEVIRILQRYKDLQDIIAILGIDELSEEDKQLVNRARRIERFLSQNMMAAEQFTGQPGSTVPLKETIEAFDKLTKGEFDHLPEQAFFLIGGLDDLAKKAESLGAKL"
+  },
+  "bF": {
+    "name": "bF",
+    "chain_names": [
+      "b"
+    ],
+    "start_res": 1,
+    "end_res": 170,
+    "sequence": "MGEFSATILAASQAAEEGGGGSNFLIPNGTFFAVLIIFLIVLGVISKWVVPPISKVLAEREAMLAKTAADNRKSAEQVAAAQADYEKEMAEARAQASALRDEARAAGRSVVDEKRAQASGEVAQTLTQADQQLSAQGDQVRSGLESSVDGLSAKLASRILGVDVNSGGTQ"
+  },
+  "aF": {
+    "name": "aF",
+    "chain_names": [
+      "a"
+    ],
+    "start_res": 1,
+    "end_res": 252,
+    "sequence": "MLAAEEGGAAIHVGHHTLVFELFGMTFNGDTILATAVTAVIVIALAFYLRAKVTSTGVPSGVQLFWEALTIQMRQQIEGSIGMKIAPFVLPLSVTIFVFILISNWLAVLPLQYGGADGAAAELYKAPASDINFVLALALFVFVCYHAAGIWRRGIVGHPIKVVKGHVAFLAPINIVEELAKPISLALRLFGNIFAGGILVALIAMFPWYIQWFPNAVWKTFDLFVGLIQAFIFSLLTILYFSQSMELDHEDH"
+  },
+  "CF": {
+    "name": "CF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "end_res": 548,
+    "sequence": "XXXXXXXXXXXXXXXXXXXXXXSADTEREEIGTVIDAGDGIAHVEGLPSVMTQELLEFPGGVLGVALNLDEHSVGAVILGEFEKIEEGQQVKRTGEVLSVPVGDAFLGRVVNPLGQPIDGQGDIAAETRRALELQAPSVVQRQSVSEPLQTGIKAIDAMTPIGRGQRQLIIGDRKTGKTAVCVDTILNQREAWLTGDPKQQVRCVYVAIGQKGTTIASVKRALEEGGAMEYTTIVAAPASDAAGFKWLAPYTGSAIGQHWMYNGKHVLIVFDDLSKQADAYRAISLLLRRPPGREAFPGDVFYLHSRLLERCAKLSDELGGGSMTGLPIIETKANDISAFIPTNVISITDGQCFLESDLFNQGVRPAINVGVSVSRVGGAAQIKAMKEVAGSLRLDLSQYRELEAFAAFASDLDAASKAQLDRGARLVELLKQPQYSPLAVEEQVVAIFLGTQGHLDSVPVEDVQRFESELLEHVKASHSDIFDGIRETKKLSEEAEEKLVSVINEFKKGFQASDGSSVVVSENAEALDPEDLEKESVKVRKPAPKKA"
+  },
+  "AF": {
+    "name": "AF",
+    "chain_names": [
+      "A",
+      "B"
+    ],
+    "start_res": 1,
+    "end_res": 548,
+    "sequence": "MAELTISAADIEGAIEDYVSSFSADTEREEIGTVIDAGDGIAHVEGLPSVMTQELLEFPGGVLGVALNLDEHSVGAVILGEFEKIEEGQQVKRTGEVLSVPVGDAFLGRVVNPLGQPIDGQGDIAAETRRALELQAPSVVQRQSVSEPLQTGIKAIDAMTPIGRGQRQLIIGDRKTGKTAVCVDTILNQREAWLTGDPKQQVRCVYVAIGQKGTTIASVKRALEEGGAMEYTTIVAAPASDAAGFKWLAPYTGSAIGQHWMYNGKHVLIVFDDLSKQADAYRAISLLLRRPPGREAFPGDVFYLHSRLLERCAKLSDELGGGSMTGLPIIETKANDISAFIPTNVISITDGQCFLESDLFNQGVRPAINVGVSVSRVGGAAQIKAMKEVAGSLRLDLSQYRELEAFAAFASDLDAASKAQLDRGARLVELLKQPQYSPLAVEEQVVAIFLGTQGHLDSVPVEDVQRFESELLEHVKASHSDIFDGIRETKKLSEEAEEKLVSVINEFKKGFQASDGSSVVVSENAEALDPEDLEKESVKVRKPAPKKA"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7K01.json

@@ -0,0 +1,65 @@
+{
+  "5F": {
+    "name": "5F",
+    "chain_names": [
+      "5"
+    ],
+    "start_res": 1,
+    "end_res": 72,
+    "sequence": "MARARKGALVQCDPSIKALILQIDAKMSDIVLEELDDTHLLVNPSKVEFVKHELNRLLSKNIYNPMDEEENQ"
+  },
+  "0F": {
+    "name": "0F",
+    "chain_names": [
+      "0"
+    ],
+    "start_res": 1,
+    "end_res": 778,
+    "sequence": "MKFYIDDLPVLFPYPKIYPEQYNYMCDIKKTLDVGGNSILEMPSGTGKTVSLLSLTIAYQMHYPEHRKIIYCSRTMSEIEKALVELENLMDYRTKELGYQEDFRGLGLTSRKNLCLHPEVSKERKGTVVDEKCRRMTNGQAKRKLEEDPEANVELCEYHENLYNIEVEDYLPKGVFSFEKLLKYCEEKTLCPYFIVRRMISLCNIIIYSYHYLLDPKIAERVSNEVSKDSIVIFDEAHNIDNVCIESLSLDLTTDALRRATRGANALDERISEVRKVDSQKLQDEYEKLVQGLHSADILTDQEEPFVETPVLPQDLLTEAIPGNIRRAEHFVSFLKRLIEYLKTRMKVLHVISETPKSFLQHLKQLTFIERKPLRFCSERLSLLVRTLEVTEVEDFTALKDIATFATLISTYEEGFLLIIEPYEIENAAVPNPIMRFTCLDASIAIKPVFERFSSVIITSGTISPLDMYPRMLNFKTVLQKSYAMTLAKKSFLPMIITKGSDQVAISSRFEIRNDPSIVRNYGSMLVEFAKITPDGMVVFFPSYLYMESIVSMWQTMGILDEVWKHKLILVETPDAQETSLALETYRKACSNGRGAILLSVARGKVSEGIDFDHQYGRTVLMIGIPFQYTESRILKARLEFMRENYRIRENDFLSFDAMRHAAQCLGRVLRGKDDYGVMVLADRRFSRKRSQLPKWIAQGLSDADLNLSTDMAISNTKQFLRTMAQPTDPKDQEGVSVWSYEDLIKHQNSRKDQGGFIENENKEGEQDEDEDEDIEMQ"
+  },
+  "4F": {
+    "name": "4F",
+    "chain_names": [
+      "4"
+    ],
+    "start_res": 1,
+    "end_res": 338,
+    "sequence": "MDAISDPTFKHARSRKQVTEESPSLLTVIIEIAPKLWTTFDEEGNEKGSIIKVLEALIVFLNAHLAFNSANKVAVIAAYSQGIKYLYPESTSALKASESENKTRSDLKIINSDMYRRFRNVDETLVEEIYKLFELEKKQIEQNSQRSTLAGAMSAGLTYVNRISKESVTTSLKSRLLVLTCGSGSSKDEIFQYIPIMNCIFSATKMKCPIDVVKIGGSKESTFLQQTTDATNGVYLHVESTEGLIQYLATAMFIDPSLRPIIVKPNHGSVDFRTSCYLTGRVVAVGFICSVCLCVLSIIPPGNKCPACDSQFDEHVIAKLKRKPVVPRLKAKKKVTKP"
+  },
+  "6F": {
+    "name": "6F",
+    "chain_names": [
+      "6"
+    ],
+    "start_res": 1,
+    "end_res": 461,
+    "sequence": "MAPVVISESEEDEDRVAITRRTKRQVHFDGEGDDRVDQQQQQHSSSHRDRDKHVQRKKKKRLSNRNLQGSNGGYAWEDEIKRSWDLVKVDDEGDMASLVASIVEARKKRTAKKNITPYQRGIIRSLILTLDCSEAMLEKDLRPNRHAMIIQYAIDFVHEFFDQNPISQMGIIIMRNGLAQLVSQVSGNPQDHIDALKSIRKQEPKGNPSLQNALEMARGLLLPVPAHCTREVLIVFGSLSTTDPGDIHQTIDSLVSEKIRVKVLGLSAQVAICKELCKATNYGDESFYKILLDETHLKELFNEAVTPLPVNKINKGFTLVKMGFPTRIFEDTPTFCSCHSKLVYGGYFCPNCHSKVCSLPTVCPCCDLMLILSTHLARSYHHLMPLKTFAEVPTTEKFRSEDCFSCQSRFPILKNHKNGKLLTSSRYRCEDCKQEFCVDCDVFIHEILHNCPGCESKPVIT"
+  },
+  "1F": {
+    "name": "1F",
+    "chain_names": [
+      "1"
+    ],
+    "start_res": 1,
+    "end_res": 642,
+    "sequence": "MSHSGAAIFEKVSGIIAINEDVSPAELTWRSTDGDKVHTVVLSTIDKLQATPASSEKMMLRLIGKVDESKKRKDNEGNEVVPKPQRHMFSFNNRTVMDNIKMTLQQIISRYKDADIYEEKRRREESAQHTETPMSSSSVTAGTPTPHLDTPQLNNGAPLINTAKLDDSLSKEKLLTNLKLQQSLLKGNKVLMKVFQETVINAGLPPSEFWSTRIPLLRAFALSTSQKVGPYNVLSTIKPVASSENKVNVNLSREKILNIFENYPIVKKAYTDNVPKNFKEPEFWARFFSSKLFRKLRGEKIMQNDRGDVIIDRYLTLDQEFDRKDDDMLLHPVKKIIDLDGNIQDDPVVRGNRPDFTMQPGVDINGNSDGTVDILKGMNRLSEKMIMALKNEYSRTNLQNKSNITNDEEDEDNDERNELKIDDLNESYKTNYAIIHLKRNAHEKTTDNDAKSSADSIKNADLKVSNQQMLQQLSLVMDNLINKLDLNQVVPNNEVSNKINKRVITAIKINAKQAKHNNVNSALGSFVDNTSQANELEVKSTLPIDLLESCRMLHTTCCEFLKHFYIHFQSGEQKQASTVKKLYNHLKDCIEKLNELFQDVLNGDGESMSNTCTAYLKPVLNSITLATHKYDEYFNEYNNNSN"
+  },
+  "7F": {
+    "name": "7F",
+    "chain_names": [
+      "7"
+    ],
+    "start_res": 1,
+    "end_res": 843,
+    "sequence": "MTDVEGYQPKSKGKIFPDMGESFFSSDEDSPATDAEIDENYDDNRETSEGRGERDTGAMVTGLKKPRKKTKSSRHTAADSSMNQMDAKDKALLQDTNSDIPADFVPDSVSGMFRSHDFSYLRLRPDHASRPLWISPSDGRIILESFSPLAEQAQDFLVTIAEPISRPSHIHEYKITAYSLYAAVSVGLETDDIISVLDRLSKVPVAESIINFIKGATISYGKVKLVIKHNRYFVETTQADILQMLLNDSVIGPLRIDSDHQVQPPEDVLQQQLQQTAGKPATNVNPNDVEAVFSAVIGGDNEREEEDDDIDAVHSFEIANESVEVVKKRCQEIDYPVLEEYDFRNDHRNPDLDIDLKPSTQIRPYQEKSLSKMFGNGRARSGIIVLPCGAGKTLVGITAACTIKKSVIVLCTSSVSVMQWRQQFLQWCTLQPENCAVFTSDNKEMFQTESGLVVSTYSMVANTRNRSHDSQKVMDFLTGREWGFIILDEVHVVPAAMFRRVVSTIAAHAKLGLTATLVREDDKIGDLNFLIGPKLYEANWMELSQKGHIANVQCAEVWCPMTAEFYQEYLRETARKRMLLYIMNPTKFQACQFLIQYHERRGDKIIVFSDNVYALQEYALKMGKPFIYGSTPQQERMNILQNFQYNDQINTIFLSKVGDTSIDLPEATCLIQISSHYGSRRQEAQRLGRILRAKRRNDEGFNAFFYSLVSKDTQEMYYSTKRQAFLVDQGYAFKVITHLHGMENIPNLAYASPRERRELLQEVLLKNEEAAGIEVGDDADNSVGRGSNGHKRFKSKAVRGEGSLSGLAGGEDMAYMEYSTNKNKELKEHHPLIRKMYYKNLKK"
+  },
+  "2F": {
+    "name": "2F",
+    "chain_names": [
+      "2"
+    ],
+    "start_res": 1,
+    "end_res": 513,
+    "sequence": "MSDYSLKHSVTQYLEEIPQQVQNRLYTSPATCLAIYRILPPLAKFFIMAMVFNENEVPLLDLDKWVNSNGKLQFQNAIKSMKSLHLLIPNKSSGTLMINLNPTFKISLRNALTGGEVQNSFGVVVEENVVSLDLLDEYSANKWETILHFMVGTPLAKIPSEKVLNLLKHSKLMEEVNSTGEFKITNEGFQFLLQEINSQLWTLLLQYLKMIETSKMDLVDVLHFIFMLGALEVGKAYKIDALSETQRIMLQDMRDYGLVFQKHSNDSIFYPTKLALMLTSDTKTIRSASNAMDSVLRQNREEPSVNEDGANGKSTTDITTSDDLNKAGLKNQDIPDGSLIVETNFKIYSYSNSPLQIAVLSLFVHLKARFVNMVLGQITRESIRRALTNGITADQIIAYLETHAHPQMRRLAEEKLEKKLELDPNCKEPLQVLPPTVVDQIRLWQLELDRVITYEGSLYSDFETSQEYNLLSKYAQDIGVLLWKDDKKKKFFISKEGNSQVLDFAKRKLKKKQ"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7K36.json

@@ -0,0 +1,51 @@
+{
+  "HF": {
+    "name": "HF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "end_res": 225,
+    "sequence": "MVMAEGTAVLRRNRPGTKAQDFYNWPDESFDEMDSTLAVQQYIQQNIRADCSNIDKILEPPEGQDEGVWKYEHLRQFCLELNGLAVKLQSECHPDTCTQMTATEQWIFLCAAHKTPKECPAIDYTRHTLDGAACLLNSNKYFPSRVSIKESSVAKLGSVCRRIYRIFSHAYFHHRQIFDEYENETFLCHRFTKFVMKYNLMSKDNLIVPILEEEVQNSVSGESEA"
+  },
+  "IF": {
+    "name": "IF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "end_res": 837,
+    "sequence": "MEPAVGGPGPLIVNNKQPQPPPPPPPAAAQPPPGAPRAAAGLLPGGKAREFNRNQRKDSEGYSESPDLEFEYADTDKWAAELSELYSYTEGPEFLMNRKCFEEDFRIHVTDKKWTELDTNQHRTHAMRLLDGLEVTAREKRLKVARAILYVAQGTFGECSSEAEVQSWMRYNIFLLLEVGTFNALVELLNMEIDNSAACSSAVRKPAISLADSTDLRVLLNIMYLIVETVHQECEGDKAEWRTMRQTFRAELGSPLYNNEPFAIMLFGMVTKFCSGHAPHFPMKKVLLLLWKTVLCTLGGFEELQSMKAEKRSILGLPPLPEDSIKVIRNMRAASPPASASDLIEQQQKRGRREHKALIKQDNLDAFNERDPYKADDSREEEEENDDDNSLEGETFPLERDEVMPPPLQHPQTDRLTCPKGLPWAPKVREKDIEMFLESSRSKFIGYTLGSDTNTVVGLPRPIHESIKTLKQHKYTSIAEVQAQMEEEYLRSPLSGGEEEVEQVPAETLYQGLLPSLPQYMIALLKILLAAAPTSKAKTDSINILADVLPEEMPTTVLQSMKLGVDVNRHKEVIVKAISAVLLLLLKHFKLNHVYQFEYMAQHLVFANCIPLILKFFNQNIMSYITAKNSISVLDYPHCVVHELPELTAESLEAGDSNQFCWRNLFSCINLLRILNKLTKWKHSRTMMLVVFKSAPILKRALKVKQAMMQLYVLKLLKVQTKYLGRQWRKSNMKTMSAIYQKVRHRLNDDWAYGNDLDARPWDFQAEECALRANIERFNARRYDRAHSNPDFLPVDNCLQSVLGQRVDLPEDFQMNYDLWLEREVFSKPISWEELLQ"
+  },
+  "BF": {
+    "name": "BF",
+    "chain_names": [
+      "B",
+      "D",
+      "E",
+      "F",
+      "G"
+    ],
+    "start_res": 1,
+    "end_res": 713,
+    "sequence": "MDELAGGGGGGPGMAAPPRQQQGPGGNLGLSPGGNGAAGGGGPPASEGAGPAAGPELSRPQQYTIPGILHYIQHEWARFEMERAHWEVERAELQARIAFLQGERKGQENLKKDLVRRIKMLEYALKQERAKYHKLKYGTELNQGDLKMPTFESEETKDTEAPTAPQNSQLTWKQGRQLLRQYLQEVGYTDTILDVRSQRVRSLLGLSNSEPNGSVETKNLEQILNGGESPKQKGQEIKRSSGDVLETFNFLENADDSDEDEENDMIEGIPEGKDKHRMNKHKIGNEGLAADLTDDPDTEEALKEFDFLVTAEDGEGAGEARSSGDGTEWAEPITFPSGGGKSFIMGSDDVLLSVLGLGDLADLTVTNDADYSYDLPANKDAFRKTWNPKYTLRSHFDGVRALAFHPVEPVLVTASEDHTLKLWNLQKTVPAKKSASLDVEPIYTFRAHIGPVLSLAISSNGEQCFSGGIDATIQWWNMPSPSVDPYDTYEPNVLAGTLVGHTDAVWGLAYSGIKNQLLSCSADGTVRLWNPQEKLPCICTYNGDKKHGIPTSVDFIGCDPAHMVTSFNTGSAVIYDLETSQSLVILSSQVDSGLQSNNHINRVVSHPTLPVTITAHEDRHIKFFDNKTGKMIHSMVAHLDAVTSLAVDPNGIYLMSGSHDCSIRLWNLDSKTCVQEITAHRKKLDESIYDVAFHSSKAYIASAGADALAKVFV"
+  },
+  "CF": {
+    "name": "CF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "end_res": 309,
+    "sequence": "MDEKVFTKELDQWIEQLNECKQLSESQVKSLCEKAKEILTKESNVQEVRCPVTVCGDVHGQFHDLMELFRIGGKSPDTNYLFMGDYVDRGYYSVETVTLLVALKVRYRERITILRGNHESRQITQVYGFYDECLRKYGNANVWKYFTDLFDYLPLTALVDGQIFCLHGGLSPSIDTLDHIRALDRLQEVPHEGPMCDLLWSDPDDRGGWGISPRGAGYTFGQDISETFNHANGLTLVSRAHQLVMEGYNWCHDRNVVTIFSAPNYCYRCGNQAAIMELDDTLKYSFLQFDPAPRRGEPHVTRRTPDYFL"
+  },
+  "AF": {
+    "name": "AF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "end_res": 589,
+    "sequence": "MAAADGDDSLYPIAVLIDELRNEDVQLRLNSIKKLSTIALALGVERTRSELLPFLTDTIYDEDEVLLALAEQLGTFTTLVGGPEYVHCLLPPLESLATVEETVVRDKAVESLRAISHEHSPSDLEAHFVPLVKRLAGGDWFTSRTSACGLFSVCYPRVSSAVKAELRQYFRNLCSDDTPMVRRAAASKLGEFAKVLELDNVKSEIIPMFSNLASDEQDSVRLLAVEACVNIAQLLPQEDLEALVMPTLRQAAEDKSWRVRYMVADKFTELQKAVGPEITKTDLVPAFQNLMKDCEAEVRAAASHKVKEFCENLSADCRENVIMSQILPCIKELVSDANQHVKSALASVIMGLSPILGKDNTIEHLLPLFLAQLKDECPEVRLNIISNLDCVNEVIGIRQLSQSLLPAIVELAEDAKWRVRLAIIEYMPLLAGQLGVEFFDEKLNSLCMAWLVDHVYAIREAATSNLKKLVEKFGKEWAHATIIPKVLAMSGDPNYLHRMTTLFCINVLSEVCGQDITTKHMLPTVLRMAGDPVANVRFNVAKSLQKIGPILDNSTLQSEVKPILEKLTQDQDVDVKYFAQEALTVLSLA"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7LIV.json

@@ -0,0 +1,54 @@
+{
+  "pF": {
+    "name": "pF",
+    "chain_names": [
+      "p"
+    ],
+    "start_res": 1,
+    "end_res": 290,
+    "sequence": "MDARAVAKRPRDPADEDNELVTALKAKREVNTISVRYLYHADHQALTARFFVPEGLVEFEAQPGALLIRMETGCDSPRHLYISLYLLGIRASNVSASTRCLLESVYTASAARAALQWLDLGPHLLHRRLETLGCVKTVSLGITSLLTCVMRGYLYNTLKTEVFALMIPKDMYLTWEETRGRLQYVYLIIVYDYDGPETRPGIYVLTSSIAHWQTLVDVARGKFARERCSFVNRRITRPRQIPLCTGVIQKLGWCLADDIHTSFLVHKELKLSVVRLDNFSVELGDFREFV"
+  },
+  "4F": {
+    "name": "4F",
+    "chain_names": [
+      "4",
+      "5",
+      "6"
+    ],
+    "start_res": 1,
+    "end_res": 285,
+    "sequence": "MSLQFIGLQRRDVVALVNFLRHLTQKPDVDLEAHPKILKKCGEKRLHRRTVLFNELMLWLGYYRELRFHNPDLSSVLEEFEVRCVAVARRGYTYPFGDRGKARDHLAVLDRTEFDTDVRHDAEIVERALVSAVILAKMSVRETLVTAIGQTEPIAFVHLKDTEVQRIEENLEGVRRNMFCVKPLDLNLDRHANTALVNAVNKLVYTGRLIMNVRRSWEELERKCLARIQERCKLLVKELRMCLSFDSNYCRNILKHAVENGDSADTLLELLIEDFDIYVDSFPQS"
+  },
+  "DF": {
+    "name": "DF",
+    "chain_names": [
+      "D",
+      "E",
+      "Z"
+    ],
+    "start_res": 1,
+    "end_res": 75,
+    "sequence": "MSNTAPGPTVANKRDEKHRHVVNVVLELPTEISEATHPVLATMLSKYTRMSSLFNDKCAFKLDLLRMVAVSRTRR"
+  },
+  "qF": {
+    "name": "qF",
+    "chain_names": [
+      "q",
+      "r"
+    ],
+    "start_res": 1,
+    "end_res": 306,
+    "sequence": "MAAMEANIFCTFDHKLSIADVGKLTKLVAAVVPIPQRLHLIKHYQLGLHQFVDHTRGYVRLRGLLRNMTLTLMRRVEGNQILLHVPTHGLLYTVLNTGPVTWEKGDALCVLPPLFHGPLARENLLTLGQWELVLPWIVPMPLALEINQRLLIMGLFSLDRSYEEVKAAVQQLQTITFRDATFTIPDPVIDQHLLIDMKTACLSMSMVANLASELTMTYVRKLALEDSSMLLVKCQELLMRLDRERSVGEPRTPARPQHVSPDDEIARLSALFVMLRQLDDLIREQVVFTVCDVSPDNKSATCIFKG"
+  },
+  "AF": {
+    "name": "AF",
+    "chain_names": [
+      "A",
+      "C",
+      "J"
+    ],
+    "start_res": 1,
+    "end_res": 1370,
+    "sequence": "MENWSALELLPKVGIPTDFLTHVKTSAGEEMFEALRIYYGDDPERYNIHFEAIFGTFCNRLEWVYFLTSGLAAAAHAIKFHDLNKLTTGKMLFHVQVPRVASGAGLPTSRQTTIMVTKYSEKSPITIPFELSAACLTYLRETFEGTILDKILNVEAMHTVLRALKNTADAMERGLIHSFLQTLLRKAPPYFVVQTLVENATLARQALNRIQRSNILQSFKAKMLATLFLLNRTRDRDYVLKFLTRLAEAATDSILDNPTTYTTSSGAKISGVMVSTANVMQIIMSLLSSHITKETVSAPATYGNFVLSPENAVTAISYHSILADFNSYKAHLTSGQPHLPNDSLSQAGAHSLTPLSMDVIRLGEKTVIMENLRRVYKNTDTKDPLERNVDLTFFFPVGLYLPEDRGYTTVESKVKLNDTVRNALPTTAYLLNRDRAVQKIDFVDALKTLCHPVLHEPAPCLQTFTERGPPSEPAMQRLLECRFQQEPMGGAARRIPHFYRVRREVPRTVNEMKQDFVVTDFYKVGNITLYTELHPFFDFTHCQENSETVALCTPRIVIGNLPDGLAPGPFHELRTWEIMEHMRLRPPPDYEETLRLFKTTVTSPNYPELCYLVDVLVHGNVDAFLLIRTFVARCIVNMFHTRQLLVFAHSYALVTLIAEHLADGALPPQLLFHYRNLVAVLRLVTRISALPGLNNGQLAEEPLSAYVNALHDHRLWPPFVTHLPRNMEGVQVVADRQPLNPANIEARHHGVSDVPRLGAMDADEPLFVDDYRATDDEWTLQKVFYLCLMPAMTNNRACGLGLNLKTLLVDLFYRPAFLLMPAATAVSTSGTTSKESTSGVTPEDSIAAQRQAVGEMLTELVEDVATDAHTPLLQACRELFLAVQFVGEHVKVLEVRAPLDHAQRQGLPDFISRQHVLYNGCCVVTAPKTLIEYSLPVPFHRFYSNPTICAALSDDIKRYVTEFPHYHRHDGGFPLPTAFAHEYHNWLRSPFSRYSATCPNVLHSVMTLAAMLYKISPVSLVLQTKAHIHPGFALTAVRTDTFEVDMLLYSGKSCTSVIINNPIVTKEERDISTTYHVTQNINTVDMGLGYTSNTCVAYVNRVRTDMGVRVQDLFRVFPMNVYRHDEVDRWIRHAAGVERPQLLDTETISMLTFGSMSERNAAATVHGQKAACELILTPVTMDVNYFKIPNNPRGRASCMLAVDPYDTEAATKAIYDHREADAQTFAATHNPWASQAGCLSDVLYNTRHRERLGYNSKFYSPCAQYFNTEEIIAANKTLFKTIDEYLLRAKDCIRGDTDTQYVCVEGTEQLIENPCRLTQEALPILSTTTLALMETKLKGGAGAFATSETHFGNYVVGEIIPLQQSMLFNS"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7NYR.json

@@ -0,0 +1,119 @@
+{
+  "MF": {
+    "name": "MF",
+    "chain_names": [
+      "M"
+    ],
+    "start_res": 1,
+    "end_res": 509,
+    "sequence": "MLLPWLILIPFIGGFLCWQTERFGVKVPRWIALITMGLTLALSLQLWLQGGYSLTQSAGIPQWQSEFDMPWIPRFGISIHLAIDGLSLLMVVLTGLLGVLAVLCSWKEIEKYQGFFHLNLMWILGGVIGVFLAIDMFLFFFFWEMMLVPMYFLIALWGHKASDGKTRITAATKFFIYTQASGLVMLIAILALVFVHYNATGVWTFNYEELLNTPMSSGVEYLLMLGFFIAFAVKMPVVPLHGWLPDAHSQAPTAGSVDLAGILLKTAAYGLLRFSLPLFPNASAEFAPIAMWLGVIGIFYGAWMAFAQTDIKRLIAYTSVSHMGFVLIAIYTGSQLAYQGAVIQMIAHGLSAAGLFILCGQLYERIHTRDMRMMGGLWSKMKWLPALSLFFAVATLGMPGTGNFVGEFMILFGSFQVVPVITVISTFGLVFASVYSLAMLHRAYFGKAKSQIASQELPGMSLRELFMILLLVVLLVLLGFYPQPILDTSHSAIGNIQQWFVNSVTTTRP"
+  },
+  "HF": {
+    "name": "HF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "end_res": 325,
+    "sequence": "MSWISPELIEILLTILKAVVILLVVVTCGAFMSFGERRLLGLFQNRYGPNRVGWGGSLQLVADMIKMFFKEDWIPKFSDRVIFTLAPMIAFTSLLLAFAIVPVSPGWVVADLNIGILFFLMMAGLAVYAVLFAGWSSNNKYSLLGAMRASAQTLSYEVFLGLSLMGVVAQAGSFNMTDIVNSQAHVWNVIPQFFGFITFAIAGVAVCHRHPFDQPEAEQELADGYHIEYSGMKFGLFFVGEYIGIVTISALMVTLFFGGWQGPLLPPFIWFALKTAFFMMMFILIRASLPRPRYDQVMSFGWKICLPLTLINLLVTAAVILWQAQ"
+  },
+  "GF": {
+    "name": "GF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "end_res": 908,
+    "sequence": "MATIHVDGKEYEVNGADNLLEACLSLGLDIPYFCWHPALGSVGACRQCAVKQYQNAEDTRGRLVMSCMTPASDGTFISIDDEEAKQFRESVVEWLMTNHPHDCPVCEEGGNCHLQDMTVMTGHSFRRYRFTKRTHRNQDLGPFISHEMNRCIACYRCVRYYKDYADGTDLGVYGAHDNVYFGRPEDGTLESEFSGNLVEICPTGVFTDKTHSERYNRKWDMQFAPSICQQCSIGCNISPGERYGELRRIENRYNGTVNHYFLCDRGRFGYGYVNLKDRPRQPVQRRGDDFITLNAEQAMQGAADILRQSKKVIGIGSPRASVESNFALRELVGEENFYTGIAHGEQERLQLALKVLREGGIYTPALREIESYDAVLVLGEDVTQTGARVALAVRQAVKGKAREMAAAQKVADWQIAAILNIGQRAKHPLFVTNVDDTRLDDIAAWTYRAPVEDQARLGFAIAHALDNSAPAVDGIEPELQSKIDVIVQALAGAKKPLIISGTNAGSLEVIQAAANVAKALKGRGADVGITMIARSVNSMGLGIMGGGSLEEALTELETGRADAVVVLENDLHRHASAIRVNAALAKAPLVMVVDHQRTAIMENAHLVLSAASFAESDGTVINNEGRAQRFFQVYDPAYYDSKTVMLESWRWLHSLHSTLLSREVDWTQLDHVIDAVVAKIPELAGIKDAAPDATFRIRGQKLAREPHRYSGRTAMRANISVHEPRQPQDIDTMFTFSMEGNNQPTAHRSQVPFAWAPGWNSPQAWNKFQDEVGGKLRFGDPGVRLFETSENGLDYFTSVPARFQPQDGKWRIAPYYHLFGSDELSQRAPVFQSRMPQPYIKLNPADAAKLGVNAGTRVSFSYDGNTVTLPVEIAEGLTAGQVGLPMGMSGIAPVLAGAHLEDLKEAQQ"
+  },
+  "IF": {
+    "name": "IF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "end_res": 180,
+    "sequence": "MTLKELLVGFGTQVRSIWMIGLHAFAKRETRMYPEEPVYLPPRYRGRIVLTRDPDGEERCVACNLCAVACPVGCISLQKAETKDGRWYPEFFRINFSRCIFCGLCEEACPTTAIQLTPDFEMGEYKRQDLVYEKEDLLISGPGKYPEYNFYRMAGMAIDGKDKGEAENEAKPIDVKSLLP"
+  },
+  "KF": {
+    "name": "KF",
+    "chain_names": [
+      "K"
+    ],
+    "start_res": 1,
+    "end_res": 100,
+    "sequence": "MIPLQHGLILAAILFVLGLTGLVIRRNLLFMLIGLEIMINASALAFVVAGSYWGQTDGQVMYILAISLAAAEASIGLALLLQLHRRRQNLNIDSVSEMRG"
+  },
+  "LF": {
+    "name": "LF",
+    "chain_names": [
+      "L"
+    ],
+    "start_res": 1,
+    "end_res": 613,
+    "sequence": "MNMLALTIILPLIGFVLLAFSRGRWSENVSAIVGVGSVGLAALVTAFIGVDFFANGEQTYSQPLWTWMSVGDFNIGFNLVLDGLSLTMLSVVTGVGFLIHMYASWYMRGEEGYSRFFAYTNLFIASMVVLVLADNLLLMYLGWEGVGLCSYLLIGFYYTDPKNGAAAMKAFVVTRVGDVFLAFALFILYNELGTLNFREMVELAPAHFADGNNMLMWATLMLLGGAVGKSAQLPLQTWLADAMAGPTPVSALIHAATMVTAGVYLIARTHGLFLMTPEVLHLVGIVGAVTLLLAGFAALVQTDIKRVLAYSTMSQIGYMFLALGVQAWDAAIFHLMTHAFFKALLFLASGSVILACHHEQNIFKMGGLRKSIPLVYLCFLVGGAALSALPLVTAGFFSKDEILAGAMANGHINLMVAGLVGAFMTSLYTFRMIFIVFHGKEQIHAHAVKGVTHSLPLIVLLILSTFVGALIVPPLQGVLPQTTELAHGSMLTLEITSGVVAVVGILLAAWLWLGKRTLVTSIANSAPGRLLSTWWYNAWGFDWLYDKVFVKPFLGIAWLLKRDPLNSMMNIPAVLSRFAGKGLLLSENGYLRWYVASMSIGAVVVLALLMVLR"
+  },
+  "DF": {
+    "name": "DF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "end_res": 596,
+    "sequence": "MTDLTAQEPAWQTRDHLDDPVIGELRNRFGPDAFTVQATRTGVPVVWIKREQLLEVGDFLKKLPKPYVMLFDLHGMDERLRTHREGLPAADFSVFYHLISIDRNRDIMLKVALAENDLHVPTFTKLFPNANWYERETWDLFGITFDGHPNLRRIMMPQTWKGHPLRKDYPARATEFSPFELTKAKQDLEMEALTFKPEEWGMKRGTENEDFMFLNLGPNHPSAHGAFRIVLQLDGEEIVDCVPDIGYHHRGAEKMGERQSWHSYIPYTDRIEYLGGCVNEMPYVLAVEKLAGITVPDRVNVIRVMLSELFRINSHLLYISTFIQDVGAMTPVFFAFTDRQKIYDLVEAITGFRMHPAWFRIGGVAHDLPRGWDRLLREFLDWMPKRLASYEKAALQNTILKGRSQGVAAYGAKEALEWGTTGAGLRATGIDFDVRKARPYSGYENFDFEIPVGGGVSDCYTRVMLKVEELRQSLRILEQCLNNMPEGPFKADHPLTTPPPKERTLQHIETLITHFLQVSWGPVMPANESFQMIEATKGINSYYLTSDGSTMSYRTRVRTPSFAHLQQIPAAIRGSLVSDLIVYLGSIDFVMSDVDR"
+  },
+  "EF": {
+    "name": "EF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "end_res": 166,
+    "sequence": "MHENQQPQTEAFELSAAEREAIEHEMHHYEDPRAASIEALKIVQKQRGWVPDGAIHAIADVLGIPASDVEGVATFYSQIFRQPVGRHVIRYCDSVVCHINGYQGIQAALEKKLNIKPGQTTFDGRFTLLPTCCLGNCDKGPNMMIDEDTHAHLTPEAIPELLERYK"
+  },
+  "JF": {
+    "name": "JF",
+    "chain_names": [
+      "J"
+    ],
+    "start_res": 1,
+    "end_res": 184,
+    "sequence": "MEFAFYICGLIAILATLRVITHTNPVHALLYLIISLLAISGVFFSLGAYFAGALEIIVYAGAIMVLFVFVVMMLNLGGSEIEQERQWLKPQVWIGPAILSAIMLVVIVYAILGVNDQGIDGTPISAKAVGITLFGPYVLAVELASMLLLAGLVVAFHVGREERAGEVLSNRKDDSAKRKTEEHA"
+  },
+  "NF": {
+    "name": "NF",
+    "chain_names": [
+      "N"
+    ],
+    "start_res": 1,
+    "end_res": 485,
+    "sequence": "MTITPQNLIALLPLLIVGLTVVVVMLSIAWRRNHFLNATLSVIGLNAALVSLWFVGQAGAMDVTPLMRVDGFAMLYTGLVLLASLATCTFAYPWLEGYNDNKDEFYLLVLIAALGGILLANANHLASLFLGIELISLPLFGLVGYAFRQKRSLEASIKYTILSAAASSFLLFGMALVYAQSGDLSFVALGKNLGDGMLNEPLLLAGFGLMIVGLGFKLSLVPFHLWTPDVYQGAPAPVSTFLATASKIAIFGVVMRLFLYAPVGDSEAIRVVLAIIAFASIIFGNLMALSQTNIKRLLGYSSISHLGYLLVALIALQTGEMSMEAVGVYLAGYLFSSLGAFGVVSLMSSPYRGPDADSLFSYRGLFWHRPILAAVMTVMMLSLAGIPMTLGFIGKFYVLAVGVQAHLWWLVGAVVVGSAIGLYYYLRVAVSLYLHAPEQPGRDAPSNWQYSAGGIVVLISALLVLVLGVWPQPLISIVRLAMPLM"
+  },
+  "FF": {
+    "name": "FF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "end_res": 445,
+    "sequence": "MKNIIRTPETHPLTWRLRDDKQPVWLDEYRSKNGYEGARKALTGLSPDEIVNQVKDAGLKGRGGAGFSTGLKWSLMPKDESMNIRYLLCNADEMEPGTYKDRLLMEQLPHLLVEGMLISAFALKAYRGYIFLRGEYIEAAVNLRRAIAEATEAGLLGKNIMGTGFDFELFVHTGAGRYICGEETALINSLEGRRANPRSKPPFPATSGAWGKPTCVNNVETLCNVPAILANGVEWYQNISKSKDAGTKLMGFSGRVKNPGLWELPFGTTAREILEDYAGGMRDGLKFKAWQPGGAGTDFLTEAHLDLPMEFESIGKAGSRLGTALAMAVDHEINMVSLVRNLEEFFARESCGWCTPCRDGLPWSVKILRALERGEGQPGDIETLEQLCRFLGPGKTFCAHAPGAVEPLQSAIKYFREEFEAGIKQPFSNTHLINGIQPNLLKERW"
+  },
+  "BF": {
+    "name": "BF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "end_res": 220,
+    "sequence": "MDYTLTRIDPNGENDRYPLQKQEIVTDPLEQEVNKNVFMGKLNDMVNWGRKNSIWPYNFGLSCCYVEMVTSFTAVHDVARFGAEVLRASPRQADLMVVAGTCFTKMAPVIQRLYDQMLEPKWVISMGACANSGGMYDIYSVVQGVDKFIPVDVYIPGCPPRPEAYMQALMLLQESIGKERRPLSWVVGDQGVYRANMQSERERKRGERIAVTNLRTPDEI"
+  },
+  "AF": {
+    "name": "AF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "end_res": 147,
+    "sequence": "MSMSTSTEVIAHHWAFAIFLIVAIGLCCLMLVGGWFLGGRARARSKNVPFESGIDSVGSARLRLSAKFYLVAMFFVIFDVEALYLFAWSTSIRESGWVGFVEAAIFIFVLLAGLVYLVRIGALDWTPARSRRERMNPETNSIANRQR"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7PKN.json

@@ -0,0 +1,101 @@
+{
+  "OF": {
+    "name": "OF",
+    "chain_names": [
+      "O"
+    ],
+    "start_res": 1,
+    "end_res": 300,
+    "sequence": "MEQANPLRPDGESKGGVLAHLERLETQVSRSRKQSEELQSVQAQEGALGTKIHKLRRLRDELRAVVRHRRASVKACIANVEPNQTVEINEQEALEEKLENVKAILQAYHFTGLSGKLTSRGVCVCISTAFEGNLLDSYFVDLVIQKPLRIHHHSVPVFIPLEEIAAKYLQTNIQHFLFSLCEYLNAYSGRKYQADRLQSDFAALLTGPLQRNPLCNLLSFTYKLDPGGQSFPFCARLLYKDLTATLPTDVTVTCQGVEVLSTSWEEQRASHETLFCTKPLHQVFASFTRKGEKLDMSLVS"
+  },
+  "MF": {
+    "name": "MF",
+    "chain_names": [
+      "M"
+    ],
+    "start_res": 1,
+    "end_res": 180,
+    "sequence": "MSVLRPLDKLPGLNTATILLVGTEDALLQQLADSMLKEDCASELKVHLAKSLPLPSSVNRPRIDLIVFVVNLHSKYSLQNTEESLRHVDASFFLGKVCFLATGAGRESHCSIHRHTVVKLAHTYQSPLLYCDLEVEGFRATMAQRLVRVLQICAGHVPGVSALNLLSLLRSSEGPSLEDL"
+  },
+  "HF": {
+    "name": "HF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "end_res": 247,
+    "sequence": "MEEQPQMQDADEPADSGGEGRAGGPPQVAGAQAACSEDRMTLLLRLRAQTKQQLLEYKSMVDASEEKTPEQIMQEKQIEAKIEDLENEIEEVKVAFEIKKLALDRMRLSTALKKNLEKISRQSSVLMDNMKHLLELNKLIMKSQQESWDLEEKLLDIRKKRLQLKQASESKLLEIQTEKNKQKIDLDSMENSERIKIIRQNLQMEIKITTVIQHVFQNLILGSKVNWAEDPALKEIVLQLEKNVDMM"
+  },
+  "IF": {
+    "name": "IF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "end_res": 756,
+    "sequence": "MSPQKRVKNVQAQNRTSQGSSSFQTTLSAWKVKQDPSNSKNISKHGQNNPVGDYEHADDQAEEDALQMAVGYFEKGPIKASQNKDKTLEKHLKTVENVAWKNGLASEEIDILLNIALSGKFGNAVNTRILKCMIPATVISEDSVVKAVSWLCVGKCSGSTKVLFYRWLVAMFDFIDRKEQINLLYGFFFASLQDDALCPYVCHLLYLLTKKENVKPFRVRKLLDLQAKMGMQPHLQALLSLYKFFAPALISVSLPVRKKIYFKNSENLWKTALLAVKQRNRGPSPEPLKLMLGPANVRPLKRKWNSLSVIPVLNSSSYTKECGKKEMSLSDCLNRSGSFPLEQLQSFPQLLQNIHCLELPSQMGSVLNNSLLLHYINCVRDEPVLLRFYYWLSQTLQEECIWYKVNNYEHGKEFTNFLDTIIRAECFLQEGFYSCEAFLYKSLPLWDGLCCRSQFLQLVSWIPFSSFSEVKPLLFDHLAQLFFTSTIYFKCSVLQSLKELLQNWLLWLSMDIHMKPVTNSPLETTLGGSMNSVSKLIHYVGWLSTTAMRLESNNTFLLHFILDFYEKVCDIYINYNLPLVVLFPPGIFYSALLSLDTSILNQLCFIMHRYRKNLTAAKKNELVQKTKSEFNFSSKTYQEFNHYLTSMVGCLWTSKPFGKGIYIDPEILEKTGVAEYKNSLNVVHHPSFLSYAVSFLLQESPEERTVNVSSIRGKKWSWYLDYLFSQGLQGLKLFIRSSVHHSSIPRAEGINCNNQY"
+  },
+  "UF": {
+    "name": "UF",
+    "chain_names": [
+      "U"
+    ],
+    "start_res": 1,
+    "end_res": 418,
+    "sequence": "MAPRGRRRPRPHRSEGARRSKNTLERTHSMKDKAGQKCKPIDVFDFPDNSDVSSIGRLGENEKDEETYETFDPPLHSTAIYADEEEFSKHCGLSLSSTPPGKEAKRSSDTSGNEASEIESVKISAKKPGRKLRPISDDSESIEESDTRRKVKSAEKISTQRHEVIRTTASSELSEKPAESVTSKKTGPLSAQPSVEKENLAIESQSKTQKKGKISHDKRKKSRSKAIGSDTSDIVHIWCPEGMKTSDIKELNIVLPEFEKTHLEHQQRIESKVCKAAIATFYVNVKEQFIKMLKESQMLTNLKRKNAKMISDIEKKRQRMIEVQDELLRLEPQLKQLQTKYDELKERKSSLRNAAYFLSNLKQLYQDYSDVQAQEPNVKETYDSSSLPALLFKARTLLGAESHLRNINHQLEKLLDQG"
+  },
+  "LF": {
+    "name": "LF",
+    "chain_names": [
+      "L"
+    ],
+    "start_res": 1,
+    "end_res": 344,
+    "sequence": "MDSYSAPESTPSASSRPEDYFIGATPLQKRLESVRKQSSFILTPPRRKIPQCSQLQEDVDPQKVAFLLHKQWTLYSLTPLYKFSYSNLKEYSRLLNAFIVAEKQKGLAVEVGEDFNIKVIFSTLLGMKGTQRDPEAFLVQIVSKSQLPSENREGKVLWTGWFCCVFGDSLLETVSEDFTCLPLFLANGAESNTAIIGTWFQKTFDCYFSPLAINAFNLSWMAAMWTACKMDHYVATTEFLWSVPCSPQSLDISFAIHPEDAKALWDSVHKTPGEVTQEEVDLFMDCLYSHFHRHFKIHLSATRLVRVSTSVASAHTDGKIKILCHKYLIGVLAYLTELAIFQIE"
+  },
+  "RF": {
+    "name": "RF",
+    "chain_names": [
+      "R"
+    ],
+    "start_res": 1,
+    "end_res": 177,
+    "sequence": "MPVKRSLKLDGLLEENSFDPSKITRKKSVITYSPTTGTCQMSLFASPTSSEEQKHRNGLSNEKRKKLNHPSLTESKESTTKDNDEFMMLLSKVEKLSEEIMEIMQNLSSIQALEGSRELENLIGISCASHFLKREMQKTKELMTKVNKQKLFEKSTGLPHKASRHLDSYEFLKAILN"
+  },
+  "QF": {
+    "name": "QF",
+    "chain_names": [
+      "Q"
+    ],
+    "start_res": 1,
+    "end_res": 268,
+    "sequence": "MSGKANASKKNAQQLKRNPKRKKDNEEVVLSENKVRNTVKKNKNHLKDLSSEGQTKHTNLKHGKTAASKRKTWQPLSKSTRDHLQTMMESVIMTILSNSIKEKEEIQYHLNFLKKRLLQQCETLKVPPKKMEDLTNVSSLLNMERARDKANEEGLALLQEEIDKMVETTELMTGNIQSLKNKIQILASEVEEEEERVKQMHQINSSGVLSLPELSQKTLKAPTLQKEILALIPNQNALLKDLDILHNSSQMKSMSTFIEEAYKKLDAS"
+  },
+  "NF": {
+    "name": "NF",
+    "chain_names": [
+      "N"
+    ],
+    "start_res": 1,
+    "end_res": 339,
+    "sequence": "MDETVAEFIKRTILKIPMNELTTILKAWDFLSENQLQTVNFRQRKESVVQHLIHLCEEKRASISDAALLDIIYMQFHQHQKVWEVFQMSKGPGEDVDLFDMKQFKNSFKKILQRALKNVTVSFRETEENAVWIRIAWGTQYTKPNQYKPTYVVYYSQTPYAFTSSSMLRRNTPLLGQALTIASKHHQIVKMDLRSRYLDSLKAIVFKQYNQTFETHNSTTPLQERSLGLDINMDSRIIHENIVEKERVQRITQETFGDYPQPQLEFAQYKLETKFKSGLNGSILAEREEPLRCLIKFSSPHLLEALKSLAPAGIADAPLSPLLTCIPNKRMNYFKIRDK"
+  },
+  "PF": {
+    "name": "PF",
+    "chain_names": [
+      "P"
+    ],
+    "start_res": 1,
+    "end_res": 288,
+    "sequence": "MDAELAEVRALQAEIAALRRACEDPPAPWEEKSRVQKSFQAIHQFNLEGWKSSKDLKNQLGHLESELSFLSTLTGINIRNHSKQTEDLTSTEMTEKSIRKVLQRHRLSGNCHMVTFQLEFQILEIQNKERLSSAVTDLNIIMEPTECSELSEFVSRAEERKDLFMFFRSLHFFVEWFEYRKRTFKHLKEKYPDAVYLSEGPSSCSMGIRSASRPGFELVIVWRIQIDEDGKVFPKLDLLTKVPQRALELDKNRAIETAPLSFRTLVGLLGIEAALESLIKSLCAEENN"
+  },
+  "KF": {
+    "name": "KF",
+    "chain_names": [
+      "K"
+    ],
+    "start_res": 1,
+    "end_res": 269,
+    "sequence": "MNQEDLDPDSTTDVGDVTNTEEELIRECEEMWKDMEECQNKLSLIGTETLTDSNAQLSLLIMQVKCLTAELSQWQKKTPETIPLTEDVLITLGKEEFQKLRQDLEMVLSTKESKNEKLKEDLEREQRWLDEQQQIMESLNVLHSELKNKVETFSESRIFNELKTKMLNIKEYKEKLLSTLGEFLEDHFPLPDRSVKKKKKNIQESSVNLITLHEMLEILINRLFDVPHDPYVKISDSFWPPYVELLLRNGIALRHPEDPTRIRLEAFHQ"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7RJA.json

@@ -0,0 +1,92 @@
+{
+  "HF": {
+    "name": "HF",
+    "chain_names": [
+      "H",
+      "R"
+    ],
+    "start_res": 1,
+    "end_res": 135,
+    "sequence": "MSFFRDLLESVVPTAYAEEPVEDVEVEQPEDAPEEEVSEETVEEEEEDDEDDDEDDEEEEETADPLDTLREECTKTAACKPFDHHFHECIERVTKEQEEPDYEHKHYKEDCIEEFFHLQHCVNDCVAPRLFNRLK"
+  },
+  "GF": {
+    "name": "GF",
+    "chain_names": [
+      "G",
+      "Q"
+    ],
+    "start_res": 1,
+    "end_res": 127,
+    "sequence": "MVQSMTSVVKAANFILARPTLSKIITPLAQKFTAYAGYREMGLKFNDLLLEETPIMQTAIKRLPSELNYSRNFRILTAHQLALSHQLLPAEKAVKPEEDDNYLIPYILEAEKEAFEKAELDNIEVKA"
+  },
+  "IF": {
+    "name": "IF",
+    "chain_names": [
+      "I",
+      "S"
+    ],
+    "start_res": 1,
+    "end_res": 65,
+    "sequence": "MLTVLGRLLERNSIYVATIFGGAFAFQGFFDVAVNKWWEEHNKAKLWKNVKGKFLEGEGEEEDDE"
+  },
+  "KF": {
+    "name": "KF",
+    "chain_names": [
+      "K",
+      "T"
+    ],
+    "start_res": 1,
+    "end_res": 387,
+    "sequence": "MPTRKSNTYLSLVNSYLIDSPQPSSINYWWNLGSLLGLCLVIQIASGVFLAMHYSSNIELAFDSVEHIMRDVNAGWLIRYIHANGASFFFICMYLHIGKALYYGSYKQPRVMLWVIGVVIFILTMAIAFMGYCLVYGQMSHWGATVITNLLSAIPFIGNDIVPFIWGGFSVSNPTIQRFFALHFLLPFILAALVCMHLMALHVHGSSNPVGITGNIDRLPMHPYFIFKDLITVFVFLLIFSLFVFYSPNTLGHPDNYIPGNPMVTPPSIVPEWYLLPFYAILRSIPDKLGGVIAMFGAILILLSLPYTDRSIIRGNSFKVLSKLAFYLFVFNFILLGNLGQLHVEVPYIQLGQFATAYYFAHYIIVVPVISTLENILYYIGTQTRVK"
+  },
+  "DF": {
+    "name": "DF",
+    "chain_names": [
+      "D",
+      "N"
+    ],
+    "start_res": 1,
+    "end_res": 288,
+    "sequence": "MFRTAYKTMNQSMVQKFIAGGVGVTGLTASYLLYQDSMTADAMTAAEHGLHPPAYNWPHNGMFETFDHASIRRGFQVYREVCAACHSLDRIAWRNLVGVSHTTSEAKAMAEELEYDDEPDDEGKPRKRPGKLADYIPGPYENEQAARAANQGAYPPDLSLIVKARHGGSDYIFSLLTGYPDEPPAGVVLPEGSNYNPYFPGGAIAMGRVLFDDLVEYEDGTPATTSQMAKDVSTFLNWASEPEHDDRKKWGLKALVVLSSLYLLSIWVKRFKWTPIKNRKFRFDPPKK"
+  },
+  "FF": {
+    "name": "FF",
+    "chain_names": [
+      "F",
+      "P"
+    ],
+    "start_res": 1,
+    "end_res": 95,
+    "sequence": "MAGAPHPHTYMGWWGSLGSPKQKYITQYTISPYAAKPLKGAAYNAVFNTFRRTKNQFLYVAIPFVVVWSIWTRARDYNEYLYTKEGREELERVNV"
+  },
+  "BF": {
+    "name": "BF",
+    "chain_names": [
+      "B",
+      "L"
+    ],
+    "start_res": 1,
+    "end_res": 374,
+    "sequence": "MLSRASIRAYSSIPNSVKIAAKESATDLTKLSVIINNAGSKTGKSGVSHLLSKFTFLNNGAKSALRFTRESELLGGTFESKVTRDALILNTTFLKQDLPYYVEALGNVVSNTQFAPHEFNEIVLPTANAETKLANANPAFKGVEKLHEITFRRGLGNPLFYNESTPIKLEEVAQFSKEQFSGENISIVAEGANEEDLTKFVSESAFCYLPSSSSNGAKALPTNTFTGQEARVPSSGASSALIGIPVKPADFGKYEVLSAAIGTSTLPSTSTPLAQIPGATSHLYKYQDAGLFVISVSGEASQVAQGIKQAKSVAESVSSSALSEAVKAAELSVALQSTVDSPLNVKVVAEEAPISKFNYVAVGDLDVLPYADEL"
+  },
+  "CF": {
+    "name": "CF",
+    "chain_names": [
+      "C",
+      "M"
+    ],
+    "start_res": 1,
+    "end_res": 213,
+    "sequence": "MSSLAFRTLRNGLGLKSSVRALSTTTTTLSNYQQPDYSSYLNNKSGQGSRNFTYFMVGSMGLLSAAGAKSTVEAFLSSFAASADVLAMAKVEVKLGAIPEGKNVIIKWQGKPVFIRHRTADEIEEANQVDIKTLRDPQNDADRVKKPEWLIMLGICTHLGCVPIGEAGDFGGWFCPCHGSHYDISGRIRKGPAPLNLEIPEYDFTDDETLLVG"
+  },
+  "AF": {
+    "name": "AF",
+    "chain_names": [
+      "A",
+      "J"
+    ],
+    "start_res": 1,
+    "end_res": 439,
+    "sequence": "MIRGSSALKSLTSRRLYSTGVKYTTLSNGVTVATETNPAAKTSSVGLFFGAGSRSEHSHSNGISALTTNVLASQSAKGSLLTAKNDREFNGIIAQTTNDNITEAGKLIASIASNAVDIVEKTDLTKHKQYLSAQASAVEADPKSKVLSHLYSSAFQGYSLALPTLGTTESVENLENQDSLRHLAKHLVNNNTVIAASGNFDHDKLADAIEANLKIAEGVKPEIKPASFLGSEVRMRDDTLPKAYISIAVHGEGLNSPNYYLAKVAAAIYGDFYLHSTIAKFTSPKLASIVQEYNIVESYNHYSKSFSDTGIWGYYAEIADKFTVDDFTHFSLKEWNRLSISISEAEVARAKAQVKTALAKELANSFAVTSDIAEKVLLVGHRQSLREAFEKIDAIKVNDVKEWGKSKVWDRDIVISGTGLIEDLLDYNRNRNEMAMMRW"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7T2R.json

@@ -0,0 +1,52 @@
+{
+  "DF": {
+    "name": "DF",
+    "chain_names": [
+      "D",
+      "I"
+    ],
+    "start_res": 1,
+    "end_res": 475,
+    "sequence": "MTEVFKLEINPVTRIEGHGKITVMLDESGHVRETRFHVTQYRGFEVFTHGRDFREMPVITPRICGICPVSHHLASAKACDEILGVTITPAAHKLRELMHMGQIVQSHALSFFHLSSPDILWGFDAPVKIRNVAGLVDRYPELAKKGIMLRKFGQEIIKTLGGKKIHPWHSIPGGVNRSLTPQERDAIAAQLPEMKSIAMEAIKLIKDYLQEGGEELKEFATLDTAYMGLVRDGYLELYDGEVRIKAPRGRILDQFDPKDYLDHIGEHVEPWSYLKFPFYKALGFPHGSYRVGPLARLNAADAVSTPEASKEFALYKEMGEDGIVPYTLYYHYARLIEALYGLERIEQLLADPDITSSDLRVTSKEINPEGIGVIEAPRGTLIHHYQVNESGVITKVNLIVATGHNNFAMNKGVEMVAKKYITGTNVPEGVFNRLEHVIRAYDPCLSCSTHAVGKMPLKLELVGPTGEILKEVTRD"
+  },
+  "EF": {
+    "name": "EF",
+    "chain_names": [
+      "E",
+      "J"
+    ],
+    "start_res": 1,
+    "end_res": 179,
+    "sequence": "MAKAKVATFWLEACAGCHMSFLDLDERLIDLFQNVEILFSPIVDAKDIPNIDVGVLSGGLGNVEEVELAKKMRERCKYLVAWGDCAVFGGINCMRNFIPKDVVLREGYIETASTVNPQGIVPSEDIPELLPRALPIDYEVKVDVYVPGCPPDADTIYYVFKELLAGRVPKVPSEMMRYD"
+  },
+  "BF": {
+    "name": "BF",
+    "chain_names": [
+      "B",
+      "G"
+    ],
+    "start_res": 1,
+    "end_res": 597,
+    "sequence": "MAIYRAHVLVCRGTGCTASGAPGVMKAFKEELAKKGLDREVMLVETGCHGMCEMGPVVVVYPEGAFYCRVTPEDVPEIVEEHLYKGRIVQRLLYTVPEDMEKVPYYKDIPFYSKQHRIVLSNCGYIDPEKIEEYIARDGYMALGKALLEMTPEEVLEEVKKSGLRGRGGAGFPTGLKWEFAKKASGDKKYVICNADEGDPGAFMDRSTLEGDPHSVIEGMTIGAYVIGADEGYIYCRAEYPLAIKRLKIAIAQAEEMGLLGDHIMGTNFSFHLHLKEGAGAFVCGEETALMASIEGRRGMPRPRPPFPAQHGLWGKPTNINNVETWANVPRIILNGADWFASMGTEKSKGTKIFALTGKITNTGLIEVPMGITIREIIYELGGGILNGKEFKAVQIGGPSGGCLTKEHLDLPIDYESLTAAGAIMGSGGLVVMDEDTCMVDVAKFFLEFTQRESCGKCVPCREGTKQMLLMLQKICNGEGTMDDLSKLEELAHMVKETSLCGLGQTAPNPVITTIRYFRDEYVAHIKDKRCPAKICPALIKYVVDPEKCRKCGLCARNCPVKCISGDRQTPYLINQEKCIKCGTCMQVCPFGAIGKV"
+  },
+  "CF": {
+    "name": "CF",
+    "chain_names": [
+      "C",
+      "H"
+    ],
+    "start_res": 1,
+    "end_res": 156,
+    "sequence": "MALSTVDVVEKVKEIVAPWKGKQGGLIPILQEVQRELGYLPEEALLTISRELKMPKAEVYGVATFYAQFHLKPRGRHVIRVCRGTACHVRGSLQILEKVKQMLGIEENETTDDLRFTLEPVACLGACGLAPVMMVDEDTHGRMTPDKIQAILDKYQ"
+  },
+  "AF": {
+    "name": "AF",
+    "chain_names": [
+      "A",
+      "F"
+    ],
+    "start_res": 1,
+    "end_res": 692,
+    "sequence": "MKEITLTIDGKVCKGVQGDTILDVANKNDVYIPTLCYQKGLTPIGACRMCVVQLEGNPKMLPSCTTPAQDGMVVVTKNEKLKDYRRQILELLFAGRNHFCMYCSQSGDCELQRLAIEHEMDSVRFPYLYEDFEVDATDPNLMMDHNRCVLCQRCIRTCSEIVGAHTLDLERRGWQAKVIADLGKRLRESDTCVNCGACAQSCPTGTITIREFAYRGRRSECDAVVESVCPLCAVGCKIKTYVRTGSIVRVEGTGVEEPDGGQLCHMGRWWLPESTERERVTVPLIREGASYREATWEEALALASAEFKKAYDQEKAGAILSSLCTDEELTLFSALFRNALKMKHIDTFDGDIIRGFFKGFMPFREQGVRPFTAAHHILDSDLIITMFADPQKEAPVVASYIRVACLHRNAKLMNLSYGPSPFPGLVDLDIRLPEGQAVPKALSNLAEIIGKISLGPSDMASFGEFEAGAGKALSSYRESIEESARAMGLDPKIAEEVALMLISARRPIFIIGGRATKSHELVTAACNLAVASKAFFEDGLGVVPLLVSANSLGARNTVVSENPWLGRERRDFLYVFSTAMVPEEEEILAAISATRFVVVQTPFKVRPLVNLADILLPAPAWYERSGHFCTIEGERRKLNTIVPPKGEIKSLHYVMDEFAKKLGVKLERPEVSPCEEIFKSQLRASEARIVTL"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7USE.json

@@ -0,0 +1,65 @@
+{
+  "GF": {
+    "name": "GF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "end_res": 188,
+    "sequence": "MQAIKCVVVGDGAVGKTCLLISYTTNAFSGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGLEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVLCPPPVKKRKRK"
+  },
+  "FF": {
+    "name": "FF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "end_res": 188,
+    "sequence": "MQAIKCVVVGDGAVGKTCLLISYTTNAFSGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVLCPPPVKKRKRK"
+  },
+  "DF": {
+    "name": "DF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "end_res": 75,
+    "sequence": "MAGQEDPVQREIHQDWANREYIEIITSSIKKIADFLNSFDMSCRSRLATLNEKLTALERRIEYIEARVTKGETLT"
+  },
+  "EF": {
+    "name": "EF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "end_res": 158,
+    "sequence": "MAELQMLLEEEIPGGRRALFDSYTNLERVADYCENNYIQSADKQRALEETKAYTTQSLASVAYLINTLANNVLQMLDIQASQLRRMESSINHISQTVDIHKEKVARREIGILTTNKNTSRTHKIIAPANLERPVRYIRKPIDYTILDDIGHGVKVSTQ"
+  },
+  "BF": {
+    "name": "BF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "end_res": 1128,
+    "sequence": "MSRSVLQPSQQKLAEKLTILNDRGVGMLTRLYNIKKACGDPKAKPSYLIDKNLESAVKFIVRKFPAVETRNNNQQLAQLQKEKSEILKNLALYYFTFVDVMEFKDHVCELLNTIDVCQVFFDITVNFDLTKNYLDLIITYTTLMILLSRIEERKAIIGLYNYAHEMTHGASDREYPRLGQMIVDYENPLKKMMEEFVPHSKSLSDALISLQMVYPRRNLSADQWRNAQLLSLISAPSTMLNPAQSDTMPCEYLSLDAMEKWIIFGFILCHGILNTDATALNLWKLALQSSSCLSLFRDEVFHIHKAAEDLFVNIRGYNKRINDIRECKEAAVSHAGSMHRERRKFLRSALKELATVLSDQPGLLGPKALFVFMALSFARDEIIWLLRHADNMPKKSADDFIDKHIAELIFYMEELRAHVRKYGPVMQRYYVQYLSGFDAVVLNELVQNLSVCPEDESIIMSSFVNTMTSLSVKQVEDGEVFDFRGMRLDWFRLQAYTSVSKASLGLADHRELGKMMNTIIFHTKMVDSLVEMLVETSDLSIFCFYSRAFEKMFQQCLELPSQSRYSIAFPLLCTHFMSCTHELCPEERHHIGDRSLSLCNMFLDEMAKQARNLITDICTEQCTLSDQLLPKHCAKTISQAVNKKSKKQTGKKGEPEREKPGVESMRKNRLVVTNLDKLHTALSELCFSINYVPNMVVWEHTFTPREYLTSHLEIRFTKSIVGMTMYNQATQEIAKPSELLTSVRAYMTVLQSIENYVQIDITRVFNNVLLQQTQHLDSHGEPTITSLYTNWYLETLLRQVSNGHIAYFPAMKAFVNLPTENELTFNAEEYSDISEMRSLSELLGPYGMKFLSESLMWHISSQVAELKKLVVENVDVLTQMRTSFDKPDQMAALFKRLSSVDSVLKRMTIIGVILSFRSLAQEALRDVLSYHIPFLVSSIEDFKDHIPRETDMKVAMNVYELSSAAGLPCEIDPALVVALSSQKSENISPEEEYKIACLLMVFVAVSLPTLASNVMSQYSPAIEGHCNNIHCLAKAINQIAAALFTIHKGSIEDRLKEFLALASSSLLKIGQETDKTTTRNRESVYLLLDMIVQESPFLTMDLLESCFPYVLLRNAYHAVYKQSVTSSA"
+  },
+  "CF": {
+    "name": "CF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "end_res": 323,
+    "sequence": "MPLVKRNIDPRHLCHTALPRGIKNELECVTNISLANIIRQLSSLSKYAEDIFGELFNEAHSFSFRVNSLQERVDRLSVSVTQLDPKEEELSLQDITMRKAFRSSTIQDQQLFDRKTLPIPLQETYDVCEQPPPLNILTPYRDDGKEGLKFYTNPSYFFDLWKEKMLQDTEDKRKEKRKQKQKNLDRPHEPEKVPRAPHDRRREWQKLAQGPELAEDDANLLHKHIEVANGGGSGGSGGSGGSGGSGGSKRHPSTLPVISDARSVLLEAIRKGIQLRKVEEQREQEAKHERIENDVATILSRRIAVEYSDSEDDSEFDEVDWLE"
+  },
+  "AF": {
+    "name": "AF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "end_res": 1253,
+    "sequence": "MAAQVTLEDALSNVDLLEELPLPDQQPCIEPPPSSLLYQPNFNTNFEDRNAFVTGIARYIEQATVHSSMNEMLEEGQEYAVMLYTWRSCSRAIPQVKCNEQPNRVEIYEKTVEVLEPEVTKLMNFMYFQRNAIERFCGEVRRLCHAERRKDFVSEAYLITLGKFINMFAVLDELKNMKCSVKNDHSAYKRAAQFLRKMADPQSIQESQNLSMFLANHNKITQSLQQQLEVISGYEELLADIVNLCVDYYENRMYLTPSEKHMLLKVMGFGLYLMDGSVSNIYKLDAKKRINLSKIDKYFKQLQVVPLFGDMQIELARYIKTSAHYEENKSRWTCTSSGSSPQYNICEQMIQIREDHMRFISELARYSNSEVVTGSGRQEAQKTDAEYRKLFDLALQGLQLLSQWSAHVMEVYSWKLVHPTDKYSNKDCPDSAEEYERATRYNYTSEEKFALVEVIAMIKGLQVLMGRMESVFNHAIRHTVYAALQDFSQVTLREPLRQAIKKKKNVIQSVLQAIRKTVCDWETGHEPFNDPALRGEKDPKSGFDIKVPRRAVGPSSTQLYMVRTMLESLIADKSGSKKTLRSSLEGPTILDIEKFHRESFFYTHLINFSETLQQCCDLSQLWFREFFLELTMGRRIQFPIEMSMPWILTDHILETKEASMMEYVLYSLDLYNDSAHYALTRFNKQFLYDEIEAEVNLCFDQFVYKLADQIFAYYKVMAGSLLLDKRLRSECKNQGATIHLPPSNRYETLLKQRHVQLLGRSIDLNRLITQRVSAAMYKSLELAIGRFESEDLTSIVELDGLLEINRMTHKLLSRYLTLDGFDAMFREANHNVSAPYGRITLHVFWELNYDFLPNYCYNGSTNRFVRTVLPFSQEFQRDKQPNAQPQYLHGSKALNLAYSSIYGSYRNFVGPPHFQVICRLLGYQGIAVVMEELLKVVKSLLQGTILQYVKTLMEVMPKICRLPRHEYGSPGILEFFHHQLKDIVEYAELKTVCFQNLREVGNAILFCLLIEQSLSLEEVCDLLHAAPFQNILPRVHVKEGERLDAKMKRLESKYAPLHLVPLIERLGTPQQIAIAREGDLLTKERLCCGLSMFEVILTRIRSFLDDPIWRGPLPSNGVMHVDECVEFHRLWSAMQFVYCIPVGTHEFTVEQCFGDGLHWAGCMIIVLLGQQRRFAVLDFCYHLLKVQKHDGKDEIIKNVPLKKMVERIRKFQILNDEIITILDKYLKSGDGEGTPVEHVRCFQPPIHQSLASS"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7WFF.json

@@ -0,0 +1,155 @@
+{
+  "cF": {
+    "name": "cF",
+    "chain_names": [
+      "c"
+    ],
+    "start_res": 1,
+    "end_res": 204,
+    "sequence": "MGSVQLSGSGLVASLPPNHSFSHKTKLNKPNSYFFRSKHNAARTKTVRAISTAPASQPPAADEPDEPPAVDFAFVHSVLLPDGTPDVHWRRANGGQKLRDIMLDSNIELYGPYSKPLSNCAGVGTCATCMVEIVNGKELLNPRTDIEKEKLKRKPKNWRLACQTNVGNPDSTGLVVIQQLPEWKAHEWNIPKNIPNDDDLETST"
+  },
+  "jF": {
+    "name": "jF",
+    "chain_names": [
+      "j"
+    ],
+    "start_res": 1,
+    "end_res": 255,
+    "sequence": "MATLSMTLSLSAPPRRLSPINTSAFTSTSFRLRTKSSFDSISFSSSTPFSASSLLLHTSYTKRNHRCFSVQSNAEVVTEPQSKITHKVYFDISVGNPVGKLAGRIVIGLYGDDVPQTVENFRALCTGEKGFGYKGSTFHRVIRDFMIQGGDFEKGNGTGGKSVYGRTFKDENFKLSHVGPGVLSMANAGPNTNGSQFFICTIKTSWLDGRHVVFGQVIEGMEVVKLIEEQETDRGDRPRKKVVIADCGQLPMSEA"
+  },
+  "iF": {
+    "name": "iF",
+    "chain_names": [
+      "i"
+    ],
+    "start_res": 1,
+    "end_res": 217,
+    "sequence": "MAISTLTLTQSLYTRSFRPTIFFSSSSSSSFSCLCSSSSDCEPKLSVKKRVFGVGLGFLASSILSLTPLDADATRIDYYATVGDPLCEYSYAKSGLGFCDLDVGFGDEAPRGVLVNIHYTARFADGTLFDSSYKRARPLTMRIGVGKVIRGLDQGILGGEGVPPMRVGGKRKLQIPPKLAYGPEPAGCFSGDCNIPGNATLLYDINFVEIYPGSNTR"
+  },
+  "eF": {
+    "name": "eF",
+    "chain_names": [
+      "e"
+    ],
+    "start_res": 1,
+    "end_res": 212,
+    "sequence": "MATVTILSPKSIPKVTDSKFGARVSDQIVNVVKCGKSGRRLKLAKLVSAAGLSQIEPDINEDPIGQFETNSIEMEDFKYGYYDGAHTYYEGEVQKGTFWGAIADDIAAVDQTNGFQGLISCMFLPAIALGMYFDAPGEYLFIGAALFTVVFCIIEMDKPDQPHNFEPQIYKLERGARDKLINDYNTMSIWDFNDKYGDVWDFTIEKDDIATR"
+  },
+  "fF": {
+    "name": "fF",
+    "chain_names": [
+      "f"
+    ],
+    "start_res": 1,
+    "end_res": 238,
+    "sequence": "MAVSSLSIRCGGFSPTISHKTEILCPNPSLKACCLLSSGGKADSSESTYQKGSGNNWKRRQALVGVGTLVATSIPATLLLAEEIPKSYSPFVDREDGYSYYYPSDWREFDFRAHDSAFKDRYLQLQNVRVRFIPTEKNDIHEVGPMEEVVYDLVKHKFAAPNQVATIYDMKERVEDGKNYYTFEYGLRTPIYATTSFATVAVGNNRYYTLIVGANERRWRKVKKQLQVVADSLKILQI"
+  },
+  "GF": {
+    "name": "GF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "end_res": 176,
+    "sequence": "MDLPGPIHDFLLVFLGSGLLVGGLGVVLLPNPIFSAFSLGFVLVCISLLYILSNSHFVAAAQLLIYVGAINVLIIFAVMFMNDSEYSTDFNLWTIGNGITSLVCTTILFLLMSTILDTSWYGVIWTTKLNQILEQDLISNSQQIGIHLSTDFFLPFELISIILLVALIGAISVARQ"
+  },
+  "dF": {
+    "name": "dF",
+    "chain_names": [
+      "d"
+    ],
+    "start_res": 1,
+    "end_res": 161,
+    "sequence": "MAEAFTSFTFTNLHIPSSYNHSPKQNSGPNHGYWLSNVNEKRERNLMRGSLCVRKALPHDLPLMAVMVQQIEGMRDIITEKHVWHLSDKAIKNVYMFYIMFTCWGCLYFGSAKDPFYDSEEYRGDGGDGTGYWVYETVCISPFLILLGKKEKNLEMHTNYN"
+  },
+  "hF": {
+    "name": "hF",
+    "chain_names": [
+      "h"
+    ],
+    "start_res": 1,
+    "end_res": 220,
+    "sequence": "MAHFIDLNSLTNTLPSLPKLPESRKTGKSSGFACRRTEEFQEPDSVQITRRMTLGFAVSIGLTGILGENNVSLAQDNGFWIDGPLPIPPIYNNIVNEKTGTRTFIKKGVYVADIGTKGRMYRVKKNAFDLLAMEDLIGPDTLNYVKKYLRLKSTFLFYDFDNLISAAASEDKQPLTDLANRLFDNFEKLEDAAKTKNLAETESCYKDTKFLLQEVMTRMA"
+  },
+  "FF": {
+    "name": "FF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "end_res": 746,
+    "sequence": "MEHTYQYSWIIPFIPLPVPILLGVGLLLFPTATKNLRRMWTFLSIFLLSIVMIFSIYLSIQQIFLSCIHQNVWSWTINNEFSFEFGYFIDPLTSIMSILITTVGILVLIYSDNYMSHDQGYLRFFAYMGFFNTSMLGLVTSSNLIQVYFFWELVGMCSYLLIGFWFTRPIAANACQKAFVTNRVGDFGLLLGILGLYWITGSFEFQDLFEIFNNLILNNRVNLLFLTLCAFLLFVGPIAKSAQFPLHVWLPDAMEGPTPISALIHAATMVAAGIFLVARLLPLFIVIPSIMYIISLIGIITVLLGATLALAQKDIKRGLAYSTMSQLGYMMLALGMGSYRSALFHLITHAYSKALLFLGSGSIIHSMEAIVGYSPDKSQNMILMGGLTKHVPITKTAFLIGTLSLCGIPPLACFWSKDEILNDSLLFSPIFAIIACSTAGLTAFYMFRIYLLTFEGHLNTYFLNYSGKKSGSFYSLSLWGKEEEKKLNKNFGLVPLLTMNNTKRASFFCNKTYKISNNVRNQIFITVENFGLNTRTFYYPHESDNTILFPMLILVLFTLFIGAIGIPFNQEGIDFDILSKFFTPSINLLHKNSQNFVDWYEFLRNATFSVSIAFFGIFIAYCLYKPFYSSLLNLTLLNSFQKWNSKRIHWEKLINFVYNWSYNRGYIDSFFKTSLIESIRRLAKQTTFFDKRIIDGITNGVGITSFFVGEVTKYIGGSRISSYLFLYLSYVLIFLMILFFFYFEKF"
+  },
+  "DF": {
+    "name": "DF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "end_res": 506,
+    "sequence": "MYLVFTTNDFPWLTIIVVFPISAGSLMLFLPHRGNKVNKWYTICICILELLLTTYAFCYNFKMDDPLIQLSEDYKWIDFFDFYWRMGIDGLSIGTILLTGFITTLATLAAFPVTRDSRFFHFLMLAMYSGQIGSFSSRDLLLFFIMWELELIPVYLLLSMWGGKKRLYSATKFILYTAGSSIFLLIGVLGISLYGSNEPTLNLELLANKSYPVTLEILFYIGFLIAFAVKSPIIPLHTWLPDTHGEAHYSTCMLLAGILLKMGAYGLVRINMELLPHAHSMFSPWLLVVGTIQIIYAASTSPGQRNLKKRIAYSSVSHMGFIIIGISSITDPGLNGAILQIISHGFIGAALFFLAGTSYDRIRLVYLDEMGGMAISIPKIFTMFTILSMASLALPGMSGFIAEFIVFFGIITSQKYFLISKIFIIFVMAIGMILTPIYLLSMLRQMFYGYKLINIKNFSFFDSGPRELFLSISILLPIIGIGIYPDFVLSLASDKVESILSNYFYG"
+  },
+  "bF": {
+    "name": "bF",
+    "chain_names": [
+      "b"
+    ],
+    "start_res": 1,
+    "end_res": 348,
+    "sequence": "MASLISFSLLPKPKAVRSSISAPQTQTINTEKLEDKFGRKGIKFSESNNIPMVELKVRNGSSLKLSLSDAHVLSYKPKVYWKDEGFEEVLYTVDGDESRGGVGVVIVNGEEPKGGSSVISGCDWSVKDTDSDAIDALQIELSCTAGVLDITYIVSLYPVSMATALVVKNNGRKPVTLKPGIMSYLRFKKRSGAGIQGLKGCSYCPNPPLSSPFELLSPSEAMKAESSGWFGSEEGEKPGIWAVEDSVITLLEKKMSRIYGAPPAERLKAVYNTPPSKFETIDQGRGLFFRMIRIGFEEMYVGSPGSMWDKYGKQHYFVCTGPTSMLVPVDVASGETWRGAMVIEHDNL"
+  },
+  "gF": {
+    "name": "gF",
+    "chain_names": [
+      "g"
+    ],
+    "start_res": 1,
+    "end_res": 190,
+    "sequence": "MSSFTTTNTPPPYLLRKIYHRRVNQPFSVVCCTGEPQQDIFTRRRTLTSLITFTVIGGATSSALAQEKWGTRSFIKEKYFMPGLSPEDAAARIKQTAEGLRDMREMLDHMSWRYVIFYIRLKQAYLSQDLTNAMNILPESRRNDYVQAANELVENMSELDFYVRTPKVYESYLYYEKTLKSIDNVVEFLA"
+  },
+  "aF": {
+    "name": "aF",
+    "chain_names": [
+      "a"
+    ],
+    "start_res": 1,
+    "end_res": 461,
+    "sequence": "MASSLPLLPKPISPFFKTPPFSTSKPLVFLNFQTRLTSRSSDVSVNLKKKNNPWLDPFDSGEDPDNEYGSLFADGKQDEDPRPPDNPDNPYGFLKFPKGYTVELASLPLKIRGDVRRCCCVISGGVYENLLFFPTIQLIKDRYPGVQVDILTTERGKQTYELNKNVRWANVYDPDDHWPEPAEYTDMIGLLKGRYYDMVLSTKLAGLGHAAFLFMTTARDRVSYIYPNVNSAGAGLMLSETFTAENTNLSELGYSMYTQMEDWLGRPFRSVPRTPLLPLRVSISRKVKEVVAAKYRNAGAVTGKFIVIHGIESDSKASMQSKGDADSLLSLEKWAKIIKGVRGFKPVFVIPHEKERENVEDFVGDDTSIVFITTPGQLAALINDSAGVIATNTAAIQLANARDKPCIGLFSSEEKGKLFVPYAEEKSNCVIIASKTGKLADIDIGTVKNAMQVFEGSLALV"
+  },
+  "EF": {
+    "name": "EF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "end_res": 101,
+    "sequence": "MILEHVLVLSAYLFLIGLYGLITSRNMVRALMCLELILNAVNMNFVTFSDFFDNSQLKGEIFCIFVIAIAAAEAAIGLAIVSSIYRNRKSIRINQSTLLNK"
+  },
+  "BF": {
+    "name": "BF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "end_res": 512,
+    "sequence": "MIWHVQNENFILDSTRIFMKAFHLLLFDGSFIFPECILIFGLILLLMIDSTSDQKDIPWLYFISSTSFVMSITALLFRWREEPMISFSGNFQTNNFNEIFQFLILLCSTLCIPLSVEYIECTEMAITEFLLFILTATLGGMFLCGANDLITIFVAPECFSLCSYLLSGYTKKDIRSNEATMKYLLMGGASSSILVHGFSWLYGSSGGEIELQEIVNGLINTQMYNSPGISIALIFITVGIGFKLSLAPSHQWTPDVYEDSPTPVVAFLSVTSKVAASASATRIFDIPFYFSSNEWHLLLEILAILSMIFGNLIAITQTSMKRMLAYSSIGQIGYVIIGIIVGDSNGGYASMITYMLFYIAMNLGTFACIILFGLRTGTDNIRDYAGLYTKDPFLALSLALCLLSLGGLPPLAGFFGKLHLFWCGWQAGLYFLVSIGLLTSVLSIYYYLKIIKLLMTGRNQEITPHMRNYRISPLRSNNSIELSMIVCVIASTIPGISMNPIIAIAQDTLFSF"
+  },
+  "CF": {
+    "name": "CF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "end_res": 120,
+    "sequence": "MFLLYEYDIFWAFLLISSAIPVLAFLISGVLSPIRKGPEKLSSYESGIEPIGDAWLQFRIRYYMFALVFVVFDVETVFLYPWAMSFDVLGVSAFIEAFIFVLILILGLVYAWRKGALEWS"
+  },
+  "AF": {
+    "name": "AF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "end_res": 360,
+    "sequence": "MIIYATAVQTINSFVKLESLKEVYGLIWIFVPIFSLVLGIITGVLVIVWLEREISAGIQQRIGPEYAGPLGILQALADGTKLLFKENLRPSRGNTPLFSIGPSIAVISILLSYSVIPFSNHLVLADLNIGIFLWIAISSIAPIGLLMSGYGSNNKYSFLGGLRAAAQSISYEIPLTLCVLSISLLSNSLSTVDIVEAQSKYGFWGWNLWRQPIGFIIFLISSLAECERLPFDLPEAEEELIAGYQTEYSGIKFGLFYVASYLNLLISSLFVTVLYLGGWNISIPYISILELFQRDQIFGTTIGIFITLAKTYLFLFVSIATRWTLPRLRMDQLLNLGWKFLLPISLGNLLLTTSFQLFSL"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/pdb_infos/7Z15.json

@@ -0,0 +1,62 @@
+{
+  "IF": {
+    "name": "IF",
+    "chain_names": [
+      "I",
+      "J"
+    ],
+    "start_res": 1,
+    "end_res": 291,
+    "sequence": "MNQPLLSVNNLTHLYAPGKGFSDVSFDLWPGEVLGIVGESGSGKTTLLKSISARLTPQQGEIHYENRSLYAMSEADRRRLLRTEWGVVHQHPLDGLRRQVSAGGNIGERLMATGARHYGDIRATAQKWLEEVEIPANRIDDLPTTFSGGMQQRLQIARNLVTHPKLVFMDEPTGGLDVSVQARLLDLLRGLVVELNLAVVIVTHDLGVARLLADRLLVMKQGQVVESGLTDRVLDDPHHPYTQLLVSSVLQNENLYFQGQFGSWSHPQFEKGGGSGGGSGGGSWSHPQFEK"
+  },
+  "DF": {
+    "name": "DF",
+    "chain_names": [
+      "D",
+      "H"
+    ],
+    "start_res": 1,
+    "end_res": 281,
+    "sequence": "MANLSGYNFAYLDEQTKRMIRRAILKAVAIPGYQVPFGGREMPMPYGWGTGGIQLTASVIGESDVLKVIDQGADDTTNAVSIRNFFKRVTGVNTTERTDDATLIQTRHRIPETPLTEDQIIIFQVPIPEPLRFIEPRETETRTMHALEEYGVMQVKLYEDIARFGHIATTYAYPVKVNGRYVMDPSPIPKFDNPKMDMMPALQLFGAGREKRIYAVPPFTRVESLDFDDHPFTVQQWDEPCAICGSTHSYLDEVVLDDAGNRMFVCSDTDYCRQQSEAKNQ"
+  },
+  "KF": {
+    "name": "KF",
+    "chain_names": [
+      "K",
+      "L"
+    ],
+    "start_res": 1,
+    "end_res": 226,
+    "sequence": "MINVQNVSKTFILHQQNGVRLPVLNRASLTVNAGECVVLHGHSGSGKSTLLRSLYANYLPDEGQIQIKHGDEWVDLVTAPARKVVEIRKTTVGWVSQFLRVIPRISALEVVMQPLLDTGVPREACAAKAARLLTRLNVPERLWHLAPSTFSGGEQQRVNIARGFIVDYPILLLDEPTASLDAKNSAAVVELIREAKTRGAAIVGIFHDEAVRNDVADRLHPMGASS"
+  },
+  "BF": {
+    "name": "BF",
+    "chain_names": [
+      "B",
+      "F"
+    ],
+    "start_res": 1,
+    "end_res": 194,
+    "sequence": "MTLETAFMLPVQDAQHSFRRLLKAMSEPGVIVALHQLKRGWQPLNIATTSVLLTLADNDTPVWLSTPLNNDIVNQSLRFHTNAPLVSQPEQATFAVTDEAISSEQLNALSTGTAVAPEAGATLILQVASLSGGRMLRLTGAGIAEERMIAPQLPECILHELTERPHPFPLGIDLILTCGERLLAIPRTTHVEVC"
+  },
+  "CF": {
+    "name": "CF",
+    "chain_names": [
+      "C",
+      "G"
+    ],
+    "start_res": 1,
+    "end_res": 354,
+    "sequence": "MYVAVKGGEKAIDAAHALQESRRRGDTDLPELSVAQIEQQLNLAVDRVMTEGGIADRELAALALKQASGDNVEAIFLLRAYRTTLAKLAVSEPLDTTGMRLERRISAVYKDIPGGQLLGPTYDYTHRLLDFTLLANGEAPTLTTADSEQQPSPHVFSLLARQGLAKFEEDSGAQPDDITRTPPVYPCSRSSRLQQLMRGDEGYLLALAYSTQRGYGRNHPFAGEIRSGYIDVSIVPEELGFAVNVGELLMTECEMVNGFIDPPDEPPHFTRGYGLVFGMSERKAMAMALVDRALQAPEYGEHATGPAQDEEFVLAHADNVEAAGFVSHLKLPHYVDFQAELELLKRLQQEKNHG"
+  },
+  "AF": {
+    "name": "AF",
+    "chain_names": [
+      "A",
+      "E"
+    ],
+    "start_res": 1,
+    "end_res": 150,
+    "sequence": "MHADTATRQHWMSVLAHSQPAELAARLNALNITADYEVIRAAETGLVQIQARMGGTGERFFAGDATLTRAAVRLTDGTLGYSWVLGRDKQHAERCALIDALMQQSRHFQNLSETLIAPLDADRMARIAARQAEVNASRVDFFTMVRGDNA"
+  }
+}

scripts/paper_resources/figures/data/benchmark1/runtimes/duration_simple.json

@@ -0,0 +1 @@
+{"ptm_7K36_AF_BF_BF_BF_BF_BF_CF_HF_IF": [], "multimer_7K36_AF_BF_BF_BF_BF_BF_CF_HF_IF": [], "ptm_7NYR_AF_BF_DF_EF_FF_GF_HF_IF_JF_KF_LF_MF_NF": [], "multimer_7NYR_AF_BF_DF_EF_FF_GF_HF_IF_JF_KF_LF_MF_NF": [], "ptm_7CK6_AF_AF_CF_CF_EF_EF_GF_GF_IF_IF": ["797.8s", "783.8s", "793.2s", "786.5s", "1411.2s"], "multimer_7CK6_AF_AF_CF_CF_EF_EF_GF_GF_IF_IF": ["723.8s", "701.8s", "701.8s", "701.9s", "701.6s"], "ptm_7RJA_AF_AF_BF_BF_CF_CF_DF_DF_FF_FF_GF_GF_HF_HF_IF_IF_KF_KF": [], "multimer_7RJA_AF_AF_BF_BF_CF_CF_DF_DF_FF_FF_GF_GF_HF_HF_IF_IF_KF_KF": [], "multimer_7JG5_1F_1F_1F_1F_1F_1F_1F_1F_1F_AF_AF_CF_DF_DF_DF_GF_HF_aF_bF_dF": [], "ptm_7JG5_1F_1F_1F_1F_1F_1F_1F_1F_1F_AF_AF_CF_DF_DF_DF_GF_HF_aF_bF_dF": [], "multimer_7AQW_LF_MF_TF_cF_gF_iF_jF_kF_lF_mF_nF_oF_pF": ["2495.5s", "2468.8s", "2474.9s", "2475.0s", "2473.1s"], "ptm_7AQW_LF_MF_TF_cF_gF_iF_jF_kF_lF_mF_nF_oF_pF": ["2561.6s", "2547.2s", "2545.1s", "2547.7s", "2546.1s"], "multimer_6RDB_AF_AF_AF_AF_AF_AF_AF_AF_AF_AF_PF_QF_RF_SF_TF_TF_TF_XF_XF_XF": [], "ptm_6RDB_AF_AF_AF_AF_AF_AF_AF_AF_AF_AF_PF_QF_RF_SF_TF_TF_TF_XF_XF_XF": [], "ptm_6YY0_AF_AF_AF_DF_DF_DF_GF_HF_IF_JF_SF_bF_dF_hF": [], "multimer_6YY0_AF_AF_AF_DF_DF_DF_GF_HF_IF_JF_SF_bF_dF_hF": [], "ptm_6QLF_LF_NF_OF_PF_QF_UF_YF_ZF": ["3519.3s", "3490.2s", "3489.0s", "3490.1s", "3491.2s"], "multimer_6QLF_LF_NF_OF_PF_QF_UF_YF_ZF": ["3452.6s", "3428.4s", "3426.4s", "3427.1s", "3426.9s"], "ptm_6SWY_1F_4F_5F_8F_9F": ["8535.8s", "8578.1s", "8703.6s", "8706.2s", "8691.9s"], "multimer_6SWY_1F_4F_5F_8F_9F": ["dup", ["8425.3s", "8491.3s", "8456.5s", "8770.4s", "8491.6s"], []], "multimer_7PKN_HF_IF_KF_LF_MF_NF_OF_PF_QF_RF_UF": ["12087.7s", "12085.7s"], "ptm_7PKN_HF_IF_KF_LF_MF_NF_OF_PF_QF_RF_UF": ["12873.7s"], "multimer_7D3U_AF_CF_DF_EF_FF_GF": ["1803.0s", "1782.4s", "1783.3s", "1782.1s", "1781.9s"], "ptm_7D3U_AF_CF_DF_EF_FF_GF": ["1899.4s", "1886.9s", "1886.6s", "1890.2s", "1888.5s"], "ptm_7ARC_BF_CF_DF_EF_FF_GF_IF_PF_QF_RF_SF_UF_VF_WF_qF_rF": [], "multimer_7ARC_BF_CF_DF_EF_FF_GF_IF_PF_QF_RF_SF_UF_VF_WF_qF_rF": [], "ptm_6YBD_3F_4F_5F_6F_8F_GF_HF_IF_KF_LF_MF_NF_OF_PF_QF_uF_vF_xF_yF": [], "multimer_6YBD_3F_4F_5F_6F_8F_GF_HF_IF_KF_LF_MF_NF_OF_PF_QF_uF_vF_xF_yF": [], "multimer_7JR7_AF_BF_CF_DF_EF_FF": ["2317.7s", "2295.7s", "2294.4s", "2291.3s", "2287.2s"], "ptm_7JR7_AF_BF_CF_DF_EF_FF": ["dup", [], ["2400.6s", "2383.0s", "2379.2s", "2377.4s", "2383.1s"]], "multimer_7T2R_AF_AF_BF_BF_CF_CF_DF_DF_EF_EF": [], "ptm_7T2R_AF_AF_BF_BF_CF_CF_DF_DF_EF_EF": [], "ptm_7CGP_AF_BF_CF_DF_DF_DF_DF_DF_GF_GF_GF_GF_GF_GF_JF": ["1867.7s", "1848.3s", "1848.5s", "1849.2s", "1857.2s"], "multimer_7CGP_AF_BF_CF_DF_DF_DF_DF_DF_GF_GF_GF_GF_GF_GF_JF": ["1771.2s", "1746.9s", "1748.7s", "1747.9s", "1748.4s"], "ptm_7A6H_AF_BF_CF_DF_EF_FF_GF_HF_IF_JF_KF_LF_MF_NF_OF_PF_QF": [], "multimer_7A6H_AF_BF_CF_DF_EF_FF_GF_HF_IF_JF_KF_LF_MF_NF_OF_PF_QF": [], "multimer_6RD7_0F_1F_3F_5F_6F_8F_9F_AF_AF_AF_AF_AF_AF_AF_AF_AF_AF_MF": ["dup", ["7144.9s", "7389.7s", "6918.9s", "6857.8s", "6918.4s"], []], "ptm_6RD7_0F_1F_3F_5F_6F_8F_9F_AF_AF_AF_AF_AF_AF_AF_AF_AF_AF_MF": [], "multimer_6TDX_0F_GF_HF_IF_OF_OF_OF_OF_OF_OF_OF_OF_OF_OF": ["1345.9s", "1321.5s", "1321.2s", "1323.4s", "1321.9s"], "ptm_6TDX_0F_GF_HF_IF_OF_OF_OF_OF_OF_OF_OF_OF_OF_OF": ["1431.4s", "1411.5s", "1411.1s", "1411.4s", "1411.0s"], "multimer_6K15_AF_CF_DF_DF_EF_FF_GF_IF_JF_KF_LF_MF_XF": [], "ptm_6K15_AF_CF_DF_DF_EF_FF_GF_IF_JF_KF_LF_MF_XF": [], "multimer_6Z16_AF_AF_BF_BF_CF_CF_DF_DF_EF_EF_FF_FF_GF_GF": [], "ptm_6Z16_AF_AF_BF_BF_CF_CF_DF_DF_EF_EF_FF_FF_GF_GF": [], "multimer_6I3M_AF_AF_CF_CF_EF_EF_GF_GF_IF_IF_KF_KF_MF_MF_OF_OF": [], "ptm_6I3M_AF_AF_CF_CF_EF_EF_GF_GF_IF_IF_KF_KF_MF_MF_OF_OF": [], "multimer_7BKD_AF_AF_BF_BF_CF_CF_DF_EF_FF": ["11645.8s"], "ptm_7BKD_AF_AF_BF_BF_CF_CF_DF_EF_FF": [], "multimer_7USE_AF_BF_CF_DF_EF_FF_GF": ["dup", ["9490.8s", "9382.5s", "9481.4s", "9409.4s", "9493.5s"], []], "ptm_7USE_AF_BF_CF_DF_EF_FF_GF": [], "multimer_7K01_0F_1F_2F_4F_5F_6F_7F": ["dup", [], ["12839.7s", "13694.3s"]], "ptm_7K01_0F_1F_2F_4F_5F_6F_7F": ["dup", ["13783.0s", "13166.9s", "13049.2s", "13083.1s", "13219.7s"], []], "ptm_6RIC_AF_BF_CF_EF_FF_GF_IF_JF_SF": [], "multimer_6RIC_AF_BF_CF_EF_FF_GF_IF_JF_SF": [], "multimer_6F0K_AF_BF_CF_DF_EF_FF_HF": ["4261.2s", "4223.7s", "4223.7s", "4227.9s", "4226.7s"], "ptm_6F0K_AF_BF_CF_DF_EF_FF_HF": [], "ptm_7LIV_4F_4F_4F_AF_AF_AF_DF_DF_DF_pF_qF_qF": [], "multimer_7LIV_4F_4F_4F_AF_AF_AF_DF_DF_DF_pF_qF_qF": [], "multimer_6SZ9_AF_BF_CF_DF_EF": ["1607.3s", "1587.5s", "1585.5s", "1583.6s", "1584.2s"], "ptm_6SZ9_AF_BF_CF_DF_EF": ["1695.2s", "1672.0s", "1671.8s", "1670.6s", "1671.5s"], "multimer_6VQC_HF_LF_aF_bF_cF_dF_eF_fF_gF_gF_gF_gF_gF_gF_gF_gF_gF_pF": [], "ptm_6VQC_HF_LF_aF_bF_cF_dF_eF_fF_gF_gF_gF_gF_gF_gF_gF_gF_gF_pF": [], "multimer_7WFF_AF_BF_CF_DF_EF_FF_GF_aF_bF_cF_dF_eF_fF_gF_hF_iF_jF": [], "ptm_7WFF_AF_BF_CF_DF_EF_FF_GF_aF_bF_cF_dF_eF_fF_gF_hF_iF_jF": [], "multimer_7EGF_PF_cF_dF_eF_fF_iF_jF_kF_lF_mF": [], "ptm_7EGF_PF_cF_dF_eF_fF_iF_jF_kF_lF_mF": [], "ptm_7Z15_AF_AF_BF_BF_CF_CF_DF_DF_IF_IF_KF_KF": [], "multimer_7Z15_AF_AF_BF_BF_CF_CF_DF_DF_IF_IF_KF_KF": ["5285.4s", "5203.4s", "5198.0s", "5201.6s", "5203.1s"], "multimer_6ZBB_8F_KF_KF_KF_KF_KF_KF_KF_KF_aF_bF_dF_eF_fF_gF_jF_kF": ["1121.5s", "1097.0s", "1096.5s", "1096.1s", "1096.4s"], "ptm_6ZBB_8F_KF_KF_KF_KF_KF_KF_KF_KF_aF_bF_dF_eF_fF_gF_jF_kF": ["1211.3s", "1191.0s", "1190.2s", "1190.0s", "1190.4s"], "ptm_6TMI_AF_BF_CF_GF_RF": ["2080.4s", "2055.0s", "2055.5s", "2054.1s", "2053.9s"], "multimer_6TMI_AF_BF_CF_GF_RF": ["1999.9s", "1975.0s", "1973.6s", "1975.7s", "1973.0s"]}

scripts/paper_resources/figures/data/benchmark1/runtimes/runtime_summary.csv

@@ -0,0 +1,36 @@
+PDB ID, #subunits, #unique subunits, AFM runtime, CombFold pairs average, CombFold groups average, CombFold pairs total, CombFold Groups total, CombFold assembly runtime
+6F0K, 7, 7, 4232.64, 1254.6073333333336, 741.8755555555556, 18819.110000000004, 6676.88, 73.3
+6I3M, 16, 8, -, 1180.6079591836733, 1120.135, 16528.511428571426, 13441.62, 624.0
+6K15, 13, 12, -, 1816.9092307692308, -, 47239.64, -, -
+6QLF, 8, 8, 3432.28, 281.03277777777777, 2985.5456410256415, 5058.59, 38812.09333333334, 162.9
+6RD7, 18, 9, 7045.94, 141.89538461538461, 950.3808333333333, 3689.2799999999993, 22809.14, -
+6RDB, 20, 7, -, 317.3285714285715, 598.2360000000001, 4442.6, 5982.359999999999, 3327.8
+6RIC, 9, 9, -, 1214.5657983193278, 6354.49, 20647.61857142857, 50835.92, 98.4
+6SWY, 5, 5, 8527.02, 4199.573205128206, -, 25197.439230769232, -, 18.4
+6SZ9, 5, 5, 1589.62, 472.91499999999996, 1583.3300000000002, 3783.32, 6333.320000000001, 27.2
+6TDX, 14, 5, 1326.78, 81.44, 294.0377777777778, 651.52, 2646.34, 836.3
+6TMI, 5, 5, 1979.44, 757.5514285714286, 3400.024, 5302.86, 17000.12, 17.6
+6VQC, 18, 10, -, 232.83294117647057, 508.92842105263156, 3958.1600000000008, 9669.640000000001, 4771.7
+6YBD, 19, 19, -, 901.4617708333333, 1384.3425, 28846.77666666667, 33224.22, 298.1
+6YY0, 14, 10, -, 211.571, 2768.6293333333333, 4231.420000000001, 41529.44000000001, 687.2
+6Z16, 14, 7, -, 161.4, 590.3561904761905, 2259.6, 12397.48, 295.3
+6ZBB, 17, 10, 1101.5, 60.037894736842105, 179.58380952380952, 1140.7199999999998, 3771.2599999999998, 962.2
+7A6H, 17, 17, -, 1546.3500877192982, 2106.39, 58761.30333333333, 50553.36, 1199.4
+7AQW, 13, 13, 2477.46, 244.2997142857143, 1276.0638709677417, 8550.49, 39557.979999999996, 452.2
+7ARC, 16, 16, -, 311.4165957446809, 1294.3288235294117, 14636.58, 44007.17999999999, 994.0
+7BKD, 9, 6, 11645.8, 525.5088888888889, 2991.775, 4729.58, 23934.199999999993, 260.8
+7CGP, 15, 6, 1752.6200000000001, 136.15333333333334, 167.12444444444444, 1633.84, 3008.2400000000002, 1693.7
+7CK6, 10, 5, 706.18, 295.85200000000003, 347.40000000000003, 1479.2600000000002, 2431.8, 33.1
+7D3U, 6, 6, 1786.5399999999997, 1192.3607936507933, 3206.9700000000003, 10731.24714285714, 25655.76, 9.9
+7EGF, 10, 10, -, 897.5239285714285, 2883.7181818181816, 25130.670000000002, 63441.799999999996, 592.9
+7JG5, 20, 9, -, 579.4894736842105, 1874.5573015873015, 11010.3, 39365.703333333324, 2214.4
+7K01, 7, 7, 13267.0, 1220.8875, 784.6080000000001, 14650.650000000001, 3923.0400000000004, 291.4
+7K36, 9, 5, -, 2485.1685714285713, 4761.099999999999, 17396.18, 14283.3, 314.9
+7LIV, 12, 5, -, 506.54799999999994, 2305.8488888888883, 5065.48, 20752.639999999996, 121.6
+7NYR, 13, 13, -, 452.3552873563218, 2563.856, 13118.303333333335, 51277.12, 47.4
+7PKN, 11, 11, 12086.7, 270.3095652173913, 1418.9017391304346, 6217.12, 32634.739999999998, 150.8
+7RJA, 18, 9, -, 200.3691304347826, 1197.221818181818, 4608.489999999999, 26338.879999999997, 2206.8
+7T2R, 10, 5, -, 629.4642857142857, 1990.9899999999998, 4406.25, 19909.899999999998, 129.9
+7USE, 7, 7, 9451.52, 752.0560000000002, 1777.9199999999996, 7520.56, 8889.599999999999, 19.6
+7WFF, 17, 17, -, 355.93068181818177, 1652.6624242424243, 15660.949999999999, 54537.86, 1274.5
+7Z15, 12, 6, 5218.3, 179.9275, 762.649090909091, 1439.4199999999998, 8389.14, 704.6

scripts/paper_resources/figures/data/benchmark2/AFMv3_results.json

@@ -0,0 +1 @@
+{"7T3B_AA_BB_CC_DD_EE_FF_GG_HH_II_JJ_unrelaxed_alphafold2_multimer_v3_model_3_seed_000.pdb": {"tm_score": 0.45768, "rmsd": 5.78}, "8A5O_GG_UU_VV_WW_XX_unrelaxed_rank_001_alphafold2_multimer_v3_model_5_seed_000.pdb": {"tm_score": 0.96694, "rmsd": 1.47}, "7ARC_BB_CC_DD_EE_FF_GG_II_PP_QQ_RR_SS_UU_VV_WW_qq_rr_unrelaxed_alphafold2_multimer_v3_model_2_seed_000.pdb": {"tm_score": 0.60313, "rmsd": 5.71}, "7ZKQ_22_AA_CC_TT_bb_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_000.pdb": {"tm_score": 0.52308, "rmsd": 9.5}, "8BEL_CC_CM_DD_DN_EE_EO_GG_GQ_HH_HR_II_IS_JJ_JT_unrelaxed_rank_004_alphafold2_multimer_v3_model_3_seed_000.pdb": {"tm_score": 0.9624, "rmsd": 3.0}, "7QRU_AA_BB_CC_DD_EE_Ee_FF_GG_unrelaxed_rank_003_alphafold2_multimer_v3_model_1_seed_000.pdb": {"tm_score": 0.99529, "rmsd": 0.99}, "7USE_AA_BB_CC_DD_EE_FF_GG_unrelaxed_rank_002_alphafold2_multimer_v3_model_2_seed_000.pdb": {"tm_score": 0.92633, "rmsd": 1.99}, 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scripts/paper_resources/figures/data/benchmark2/pae_data/top1_used_pae_scores.json

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scripts/paper_resources/figures/data/benchmark2/pdb_infos/7ARC.json

@@ -0,0 +1,130 @@
+{
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MSKAVAAAKGADFIVSKVDTVVNWARAGSMWPMTFGLACCAVEMMHAGASRYDLDRFGIIFRPSPRQSDVMIVAGTLTNKMAPALRKVYDQMPEPKWVVSMGSCANGGGYYHYSYSVVRGCDRVVPVDVYVPGCPPTAEGLLYGLLQLQKKIYRSKNTQLWWNK"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MSYCYARKMTDKDYIAYDNIKNFGDNYLTDYIIKTVPKYVTMAVNGPAQSSVLYQEPTIYTTPEHIYALCAFLRDHVNLQYKTLIDITAVDYPERSARFEVVYHLLSPRLNNRIRIKVVVDEVTSVPSVSRIWNAANWFERETWDMFGVFFSNHPDLRRVLTDYGFTGHPLRKDFPLTGYTEVRYDYGKKRVISEPLELTQEFRYFDFSSPWDTLSR"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "sequence": "MKPLTPSKVSNFTINFGPQHPAAHGVLRLVLEMDGEIIKRADPHIGLLHRGTEKLLEYKTYNQGIPYFDRLDYVSMMCMEHSYVLAIEQLLNVAVPLRGQYIRVLFSEITRIMNHILAITCHSMDVGALTPFLWAFEEREKLFEFYERVSGARMHAAYFRVGGVAQDLPIGLLRDIYDWSRQFASRVDEMEELLTGNRIWKERTIDVGLVTAQQAWDWGCSGPILRGSGIDWDLRKNQPYDVYGRMDFNVPIAGHGDCYDRYLVRVQEMRESLRIIYQCLNEMPDGLYKTPDQKVSPPSRGQMKQSMESLIHHFKLFSEGYHVPAGETYRAVEAPKGEFGVYLVSRGGNRPYRCKIRSPGYAHLQMLDMVAKGAMLADVVTIIGTLDVVFGEIDR"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "sequence": "MFSRFTSLVVRAAVVASSHNKAATPIISVTLPSLRSFATNSTDVFNVHHDTPENNKDTKFDFTEANYKLVNKIMSNYPSNYKASAMIPLLDLAQQQNGGVVSLAVMNRVAQILEVPPIKVYEVATFFTMFNRSKMGKYHVCICGTTPCRLQGAQKIEEAITKHLGVGIGQTTADGTFTLGEMECMGACVNAPMIAVADYRNGVEGFSYNYYEDLTPQDAVNILEKLKKGEKPKLGSQHRQTAEPAGAVVGDKWIPSSGEQTLMGELPGPYCRDLSK"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MQRSTGAALRFAGFRSRCLSLLRTFSTQAPPAAAPEKTTFGGLRDQDRIFTNIYGRHDPYIKGAEARGDWYMTKDLVGKGRDWIIDQIKKSGLRGRGGAGFASGLKWSFMPKVSDGRPSYLVVNGDESEPGTCKDREIMRHEPHKLVEGCLVAGTAMGARAGYIYIRGEFVNERKAVERAVAEAYAKGYLGKNACGSGVDFDLFVHYGAGAYICGEETALIESLEGKQGKPRLKPPFPAGMGLYGCPTTVTNVETVAVSPTILRRGPEWFSSFGRKNNAGTKLFAISGHVNRPVTVEEEMSIPLRELIERHAGGVRGGWDNLLAIIPGGSSVPLLPKKMCDDVIMDFDALRTAQSGLGTAAVIVMNKDTDVIDAIARLSYFYKHESCGQCTPCREGTGWLYDIMSRMRKGDARLEEIDMLWEITKQIEGHTICALGDAAAWPVQGLIRHFRSEMEDRIKNADQQRISAH"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MISKKAIQAISQLGAKQPAVRAISSSVSALNQAAAAPALPADKMEVFVNGEAVVVPKNFTVLQACDAAGVDVPRFCYHQRLSIAGNCRMCLVEIEKAPKPVASCAFPAGPGMKIKTDTPVIKKAREGVMEFLLINHPLDCPICDQGGECDLQDQAMIFGSDRSRFIEYKRAVADKNLGPLIKTSMNRCIHCTRCVRFTHEVAGTSELGITGRGRDSEVGTYIEKLHSSELSGNVIDLCPVGALLSKPYAFTARSWELKGTETIDVSDALGSNIKVDCRGTEVMRITPRLNDAINEEWLSDKGRFQYDGLKRQRLNTPLVKGAKGLENATWSAAFDAIRTAIAGAKGNELKAIAGKLADAESMIALKDLFNKLGSGNLIHEDGSATLSADVRSSYIANTTIASIEKADVILLVGTNPRFESPVFNARLRKVFLDGAKVGLVGEKVDLTYAYQHLGADVAALESLASGKGAFFEALKGAKNPVVIVGSSVLRRDDREAVLKTVNDLVDAAGVVKEGWNGFNVLHDNASRVAALDIGFVPSASARTNPVPAKVVYLLGSDDFKDEEIPADAFVIYQGHHGDKGAARANVVLPGAAYTEKASLFANTEGRVQTTRTAVPVLGDAREDWKIIRALSEVVGQQLPYDSQPQVRARLAEVAPHFAEIGKAESALWLNGQYFKGVKDLVAKAARSTASLATNISNYYMTDAISRASRTMAKCTAVRQQ"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MSLINRAAQRLLSMPSVSSMGGLTQFTRSMGTERRPGQSGAWKQVDKQRYSSEWEQDPTFKQVPKNVSEVLDDSVSVLFLTDIVRGMMYSASGFFDDKVTILYPFEKGAVSPRFRGEHALRRYPTGEERCISCKLCEAICPAQAITIEAEEREDGSRKTTRYDIDMTKCIYCGFCQEACPVDAIVEGPNFEFSTETREELLYDKQKLLENGDKWEQEIAANLRTESLYR"
+  },
+  "PDF": {
+    "name": "PDF",
+    "chain_names": [
+      "P"
+    ],
+    "start_res": 1,
+    "sequence": "MSTLKPFDLNANNAVRNGPGGRSSIGGVVATVFGANGFIGSYVVNEISKRGNQVVCPYRCNENKVQPLKQMGDLGQVVLLPEFDIHDDEYIRRAISRSNVVINCVGIRQETKNYSYKDVHVDFPTRLAKIVAESGKVERFIQVSEMGADVSHASRRLQTKAVGDEAIMKYIPDATIIRPGNVVGIEDYFYNNLIFQLSYTIVAPVINNGANKVQPTYILDVADAVVKILKDKKTSGKTYYLGGPETLTMRQIYDHLIDTLRLSNDDTVNLRYELAKMLYKPLDTLRTKLPEFPFLGFMMSSDYAEEQVADSVAPAGSLGYKDLSISPAKVTEGLAIEGVRFIRVGGYDWGDMNKVSSNIPEHIRKYYNLK"
+  },
+  "QDF": {
+    "name": "QDF",
+    "chain_names": [
+      "Q"
+    ],
+    "start_res": 1,
+    "sequence": "MLRKAVSTLFNLEKRVLYQQAGFATAPQDFSLAMKKADEIYSGKTVKAGDIGFSAGVPLETYNRKVRIFCPAKAASQSGLGRTLHPSSKAPQWKIVFENLSKWENPLMGWTSTADPLENVGRSTLLFYTKEEAAAFCAKHGWEYVVDEPNPRKHIRQKRYLGYGDNYSIKRKGVPDLAHLPSNRS"
+  },
+  "RDF": {
+    "name": "RDF",
+    "chain_names": [
+      "R"
+    ],
+    "start_res": 1,
+    "sequence": "MSFVRSSFSLVRRFASEAVIAEKNKIPETVGGAAFKGDLRGTSAVGLGDGLYSHTSKWMQGNGKSPMDYINEVEPIKVKGLVVASHGSDDPALGCPVEYISLKGTSYENPAVCKYTGNRYYSDCWKHGAHHH"
+  },
+  "SDF": {
+    "name": "SDF",
+    "chain_names": [
+      "S"
+    ],
+    "start_res": 1,
+    "sequence": "MAWKTALTTTFQELRITLSQSSSSSAGAREFVLGQYAELKAANPLLPILVRESNAAQASLTARYDFGVEKKVSIENDSASGILSKLEGLVKHGQSLAK"
+  },
+  "UDF": {
+    "name": "UDF",
+    "chain_names": [
+      "U"
+    ],
+    "start_res": 1,
+    "sequence": "MAFLTSALRSAVLSNLRVAASTVEFKSISVVSAFTRNFSSFLPKEEVESRIIAQVKEQNLAAGIKVELSSRFDKDLGLDSLDKVELLISLEEDFGVEVPDAEIDKIHTVEDAVNFFISNPSS"
+  },
+  "VDF": {
+    "name": "VDF",
+    "chain_names": [
+      "V"
+    ],
+    "start_res": 1,
+    "sequence": "MIRNISSRFSTCLRQALPSASSNRTFKAVADVEIDFSNRAVLKKYVGVDHLSKEQGTKAKFIVSLNSLLEAVKSVPETAEYRKAIEATCQYRLKVCGENNSDAAIEEVLDAHLEELIAESKEELRILPVLLESKPWDVPADYSAPVFDYVDASTILDKK"
+  },
+  "WDF": {
+    "name": "WDF",
+    "chain_names": [
+      "W"
+    ],
+    "start_res": 1,
+    "sequence": "MTSRFAYVAKAAAPAAPVTCQKARNLYLEACRCLPFIHRLHKLEEITSLKEMRLIIKDKFRVNSPVTDSRVTDLLIFKGREELETYLFMYKQRHHAITEYIEPYQIKKLLIERKSSNSAFLDSFYEKAYPLVHSKYA"
+  },
+  "qDF": {
+    "name": "qDF",
+    "chain_names": [
+      "q"
+    ],
+    "start_res": 1,
+    "sequence": "MSLTKYLNNLVSTSGKKSLAGFFVSWEFAKMIVDGNLHNNVVRPQSGAQVGIDKFGNKYFEDNEESYGRRRWIVFADKFDYKISSIPPEWHGWLNYINDYKPSDYETIDNKKPMYHAEWTISATGTQECYNPKGSWFNPAKRNWKKVEIWQPPQV"
+  },
+  "rDF": {
+    "name": "rDF",
+    "chain_names": [
+      "r"
+    ],
+    "start_res": 1,
+    "sequence": "MSGILKTVQSIFYSVGLKEPWKMTGIRSLPDFEYYLPFGLTYRGISPGNQPIKAVVPHDVPKLVYDIKYFARDYRRNNSYTVRSVDSKTPFDYSKVFGSAPLKPADVKTVRIPEVMPHRGC"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7E8T.json

@@ -0,0 +1,91 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MSLRPCFVSLIDESDKPILIYVPNEAENEMNDVLKYNVLSNISLDYFESALVEWHSLDSKPLLKSIFQLEGVSVFAMLIKQTGLKIVIGFEQKSLSGADDEFEAINQIFETVRKIYIRVKCNPLLVSGDEKSIIKSLERKFDELFISTEVEL"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MSSTHSNNVGHPQSSPQGPLTEQQRAQQQYQIFENSLPKVSQSVYQMLLNEMVPLAMGIERQISGDVISSDSNVTSENGNINNMIKRLKIEEHHTVDIIRSHNLIHELYKADEEEKEKVLARLRNIGFQIGLKLSELLIFSNNPNLKFKEMDLLLIMKFICRDVWKQIFGKQIDNLKTNHRGTFYLLDYDYRPIQSFSLEEDAKNEELKMIEPFLEIPVGIIRGVLSSLGYSSEEVICLASFIDRPTDRPKTAFPKGVSFHVQVTMPQ"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C",
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MVSTTQSRSLKAMGEEIWKNKTEKINTELFTLTYGSIVAQLCQDYERDFNKVNDHLYSMGYNIGCRLIEDFLARTALPRCENLVKTSEVLSKCAFKIFLNITPNITNWSHNKDTFSLILDENPLADFVELPMDAMKSLWYSNILCGVLKGSLEMVQLDCDVWFVSDILRGDSQTEIKVKLNRILKDEIPIGED"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "sequence": "MGIYSFWIFDRHCNCIFDREWTLASNSASGTINSKQNEEDAKLLYGMIFSLRSITQKLSKGSVKNDIRSISTGKYRVHTYCTASGLWFVLLSDFKQQSYTQVLQYIYSHIYVKYVSNNLLSPYDFAENENEMRGQGTRKITNRNFISVLESFLAPMVNQ"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "sequence": "MAIETILVINKSGGLIYQRNFTNDEQKLNSNEYLILASTLHGVFAIASQLTPKALQLTQQTNIENTIPYIPYVGMSSNRSDTRNGGGNNNKHTNNEKLGSFKGDDFFKEPFTNWNKSGLRQLCTDQFTMFIYQTLTGLKFVAISSSVMPQRQPTIATTDKPDRPKSTSNLAIQIADNFLRKVYCLYSDYVMKDPSYSMEMPIRSNLFDEKVKKMVENLQ"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MSQRIIQPSASDQQFPGKSDGYEYTVGPKQAITSEASTTYIPSRIYSESLLFKRQEASLSAMAFLFQEMISQLHRTCKTAGDFETKLSDYGHNIGIRLLELLNFRASSSPSSLPRASAFLSQNESSSKLSNASNSPGMLANSSTATSASANERLQEKQTESLSNYITKMRRRDLKILDILQFIHGTLWSYLFNHVSDDLVKSSERDNEYMIVDNFPTLTQFIPGENVSCEYFVCGIIKGFLFNAGFPCGVTAHRMPQGGHSQRTVYLIQFDRQVLDREGLRFG"
+  },
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "sequence": "MPQYFAIIGKKDNPVYEIEFTNAENPQGFPQDLKELNPFILHASLDIVEDLQWQINPTSQLNGNGGNGSNGGGGFLRSRAVNNTDNCYLGKVDHFYGLAITAYISYSGMKFVMIHGNSANSSVVIDDNNMRSFYQEVHELYVKTLMNPFYKITDPIRSPAFDSRVRTLARKHLSK"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MDKEIYCGSVPVSYFDPFDLFESLRPEFQQILPLDNIHWKAFDGTVRTVNRLPIELIPEGRGEADKSNDEQPFIRFLIVNCISIDQYRAKVRPLVRQWLPNLESVSSSTGEKMIYKPIILLYANSEVVDSNLFKSVSLMEKFGKDFPHVQTLEVRSVYRSPKERQEFWNQFSQKIKASVLSIFQKRLTHLQHSLANLQKGNNFEEQLLTREKLYELYVVFNILEDASLELQKIKKEILRRNMNMPDGKLQVPFESSSKSDESLGSIIIEGTLDKFQLHKYFFIRRLRLLKLEDQTLTAFVGAFQLIKNFIESISIEYRKSVRLLEFKHYFITSMLSYFEFENVSNPLLCEIKAELLMLKRDNWVQGVMATSGYRLMDKNYPNSDVKYKFDLLKETFVDETVFQENFLTLTKEILSLFNKCEGKRQRIVDILSIEIGLLYYQGKKYEEAVSLFLSCYEYYTQTNKNSIGLKILQVFIDSLSHCPKLDVLQIDGESVSASAVLTNAFLNILKLCKDNDSKEIWWKKFMDLQMKNNIHLMYPLDGLFEVTLNSKVHLARANVSAIEVNLKSYGFPEDISTKTMRLSLKNMGGDVIVFGASDFLLKKGENKLILECRDIMYGEFSLLSFEIIVEGITFVKEFPENQDEFIVVPEIYCKESTKVLVKQAHNLNLGEYALELKSVQSDALESLQVEVEVQKNIGNMKNLPVSFSMDEIQARKRYNTPFENVRLEYYLLDQITAFDLIIKTSFTKKNDQGTFGETKKVRIQCYLQLSVSVEDIFKKDIFFFKFLLNSSVREEPVILYSSELSAPDTRNDYNIRGDYIATTPALITFDGNESFINCYEITANNNFDSKDIFNLKVRYNTLKEQLDCFITDAVLIEGDVEWFILFEKWKTFWELEILKKLKYDYDAFKENRIIRLLKTSIDLNKTKSKIRNLCIEKAVLDKILICLNKVSRGIAVCNTDMDEYVRNLVPKQLTVPVQLPGFEQFFHVQFEQMETSHDALHDTIATIGNSLSYTVIVENLSGQWGQDVIDDGGYIFEILSSNEWLIHGQKRCAIKEKRKEFEVHLIPLKKGYLNFPRVEITNINGKSCRVDHSNAFESILIF"
+  },
+  "JDF": {
+    "name": "JDF",
+    "chain_names": [
+      "J"
+    ],
+    "start_res": 1,
+    "sequence": "MNILKHFPSYVGPSKIRTLVIPIGHWTRKEFNNAVQKLSEFNEIHLSDVTPIDSPIFTPQGFPHGKLFFDFLTIDHDDALELFLYDFEPFRKTFVIIGLVNDYSDPLTNLNFMKEKYPTLISPNLVYASSTPTKELEQTIDTMENVFASSPDMQKNIETIMCDIARNFLTALNSYYSSYKHVTLRSPGAIGGNAVLKTTLIRQNSYTSSSSSTPMSAVQSSVSSSSKAGSVTTASKRLSSFEMTTNSLKRSASLKLATTLSTSENRSQQKSLGRQMKILGNFQLLAGRYVDALNSFVDAITTLYKVRDYLWLGSALDGISICFLLLSYLGLSYQIPQIVSLICPVEKLNFESSSTGISPVDSNSKATASTTASSTPRNSISIAAMQSPRNSIMSLSAPALNIDVENINLPLLIKCISDKVLYYYDLSLMHNSEYAPQVVYCEFLLKTLTFMTSCYKSSEFSKDVLDNIVKNQHRALSDIPNSPMFPRFEVYFYSNKLFELQLKEMQVEAQIKIYSTMAEVYRLLGYKRKQLFVLRLLMVALLATPNKIAWHPDYRTLIDTIIELLNINESEAKINVDDPSQSTWLILQKKILQLCIKVSRKINDFEYVAKFSSILITKYTHLLNQSEQDALFKEYIQPSITNESITSYWDPFILREVVINRILDSDPTSNEIPLESDVSSLESLENRQKTQDINPQEVFNPFKRVQPTSFVSNNSTKVPILVFLVGDKAEFTCRVQNPFKFDFTINDIQLDEEISEFCEIDRKAVSYSGPYNVKAESIRSITLPLIIKKPTYKKIYEISCLKISILKLPLQKFDIINDSRRSNPVEEEAEYSKCIYGKLKIKILPEQPQLELLSTSKMTRNSWMMLDGTKTDFHITVRNKSLSCAINHIKIIPMNNIEQMLKPDYWKKMPPDDLYIMEKQLDWLSKSCVRIIKLPTVIKPNETITFDLELDNTAVPFNFTGFDLLIEYGMSATDESCIYLKKLSIPYEVTLRRTIEVPSMDIIPLNELFSSQVENVDWIEYVMSKIRAESNLHSRDFILLLLDFRNSWIDGIKLNVQFEDFTSNEYHVEASHTSRIIVPIKKIDYKKYNFENTPIPRIYPGRQFIQSGLNEEQTIEMRQKFWCREHIISKLKCNWKLTTDQSVTGSVDFNKFIEKFDHKMVYTIYPGRLFYGVQLLLDEPKVKVGEIINLKIITEPTSTCRRKQNSTVNFLDIVIFDSKTSKILPRSNRRILYNGSLTKPISTTKVSEINLEIIPIEKGRYEFSVCISKSNNQDGIIQFDSENVILSVI"
+  },
+  "KDF": {
+    "name": "KDF",
+    "chain_names": [
+      "K"
+    ],
+    "start_res": 1,
+    "sequence": "MECFVPLRCDLDGSNIEQLRQSHLSRKFIIFDEQLNLWLWFQGNSQENKRFVLQNMIILINEAQVTRTSTIDDYFTQVENNENLWRLKNDCCSKILFKSNVVMNNGYNNQIKFVFEYKSVDANFNNQDSLQDPQAKYTLDKYSSEEILPSFEPVYSWSSAATKSSKNTNNHLEKNNRATHRVSSKNSEVHEADVSRNPNTFTLKLQYPIFSLLNMRLRNISLKSEHCILSSLDFQTSKASEQLTKKFIYPQEHNSFLKLNFQEISYKLIDGTSQIELDPICPLKVPLTAFSYDSISATFKLVLLPKSTQPHRVKITLAYELELHPNLKLPVRTSWETEVTLKRSMPISSTSSQYSSNNNNTNHSASFNGAANNVNSGGLANLRLGGVSSSRFSLGAASTTSLVNSKLSNVKFKFINSNIKVIKGEKFTMRLQIINSSSSPLDLVVYYNNTINPIPSANNVRNSNGINNCGMNNGTIPNSPLTLENQYQLHNKYRKIAEGIILLSNDYKIPVVPPRETYFADLRFIGIMSGYYGTLSGLKVLDLNTNELIEVGNGASVLIQ"
+  },
+  "LDF": {
+    "name": "LDF",
+    "chain_names": [
+      "L"
+    ],
+    "start_res": 1,
+    "sequence": "MSNEDYGYDYDYLFKIVLIGDSGVGKSNLLSRFTTDEFNIESKSTIGVEFATRTIEVENKKIKAQIWDTAGQERYRAITSAYYRGAVGALIVYDISKSSSYENCNHWLTELRENADDNVAVGLIGNKSDLAHLRAVPTDEAKNFAMENQMLFTETSALNSDNVDKAFRELIVAIFQMVSKHQVDLSGSGTNNMGSNGAPKGPTISLTPAPKEDKKKKSSNCC"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7OBA.json

@@ -0,0 +1,114 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MLISKNMPWRRLQGISFGMYSAEELKKLSVKSITNPRYLDSLGNPSANGLYDLALGPADSKEVCSTCVQDFSNCSGHLGHIELPLTVYNPLLFDKLYLLLRGSCLNCHMLTCPRAVIHLLLCQLRVLEVGALQAVYELERILNRFLEENPDPSASEIREELEQYTTEIVQNNLLGSQGAHVKNVCESKSKLIALFWKAHMNAKRCPHCKTGRSVVRKEHNSKLTITFPAMVHRTAGQKDSEPLGIEEAQIGKRGYLTPTSAREHLSALWKNEGFFLNYLFSGMDDDGMESRFNPSVFFLDFLVVPPSRYRPVSRLGDQMFTNGQTVNLQAVMKDVVLIRKLLALMAQEQKLPEEVATPTTDEEKDSLIAIDRSFLSTLPGQSLIDKLYNIWIRLQSHVNIVFDSEMDKLMMDKYPGIRQILEKKEGLFRKHMMGKRVDYAARSVICPDMYINTNEIGIPMVFATKLTYPQPVTPWNVQELRQAVINGPNVHPGASMVINEDGSRTALSAVDMTQREAVAKQLLTPATGAPKPQGTKIVCRHVKNGDILLLNRQPTLHRPSIQAHRARILPEEKVLRLHYANCKAYNADFDGDEMNAHFPQSELGRAEAYVLACTDQQYLVPKDGQPLAGLIQDHMVSGASMTTRGCFFTREHYMELVYRGLTDKVGRVKLLSPSILKPFPLWTGKQVVSTLLINIIPEDHIPLNLSGKAKITGKAWVKETPRSVPGFNPDSMCESQVIIREGELLCGVLDKAHYGSSAYGLVHCCYEIYGGETSGKVLTCLARLFTAYLQLYRGFTLGVEDILVKPKADVKRQRIIEESTHCGPQAVRAALNLPEAASYDEVRGKWQDAHLGKDQRDFNMIDLKFKEEVNHYSNEINKACMPFGLHRQFPENSLQMMVQSGAKGSTVNTMQISCLLGQIELEGRRPPLMASGKSLPCFEPYEFTPRAGGFVTGRFLTGIKPPEFFFHCMAGREGLVDTAVKTSRSGYLQRCIIKHLEGLVVQYDLTVRDSDGSVVQFLYGEDGLDIPKTQFLQPKQFPFLASNYEVIMKSQHLHEVLSRADPKKALHHFRAIKKWQSKHPNTLLRRGAFLSYSQKIQEAVKALKLESENRNGRSPGTQEMLRMWYELDEESRRKYQKKAAACPDPSLSVWRPDIYFASVSETFETKVDDYSQEWAAQTEKSYEKSELSLDRLRTLLQLKWQRSLCEPGEAVGLLAAQSIGEPSTQMTLNTFHFAGRGEMNVTLGIPRLREILMVASANIKTPMMSVPVLNTKKALKRVKSLKKQLTRVCLGEVLQKIDVQESFCMEEKQNKFQVYQLRFQFLPHAYYQQEKCLRPEDILRFMETRFFKLLMESIKKKNNKASAFRNVNTRRATQRDLDNAGELGRSRGEQEGDEEEEGHIVDAEAEEGDADASDAKRKEKQEEEVDYESEEEEEREGEENDDEDMQEERNPHREGARKTQEQDEEVGLGTEEDPSLPALLTQPRKPTHSQEPQGPEAMERRVQAVREIHPFIDDYQYDTEESLWCQVTVKLPLMKINFDMSSLVVSLAHGAVIYATKGITRCLLNETTNNKNEKELVLNTEGINLPELFKYAEVLDLRRLYSNDIHAIANTYGIEAALRVIEKEIKDVFAVYGIAVDPRHLSLVADYMCFEGVYKPLNRFGIRSNSSPLQQMTFETSFQFLKQATMLGSHDELRSPSACLVVGKVVRGGTGLFELKQPLR"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MDPGSRWRNLPSGPSLKHLTDPSYGIPREQQKAALQELTRAHVESFNYAVHEGLGLAVQAIPPFEFAFKDERISFTILDAVISPPTVPKGTICKEANVYPAECRGRRSTYRGKLTADINWAVNGISKGIIKQFLGYVPIMVKSKLCNLRNLPPQALIEHHEEAEEMGGYFIINGIEKVIRMLIMPRRNFPIAMIRPKWKTRGPGYTQYGVSMHCVREEHSAVNMNLHYLENGTVMLNFIYRKELFFLPLGFALKALVSFSDYQIFQELIKGKEDDSFLRNSVSQMLRIVMEEGCSTQKQVLNYLGECFRVKLNVPDWYPNEQAAEFLFNQCICIHLKSNTEKFYMLCLMTRKLFALAKGECMEDNPDSLVNQEVLTPGQLFLMFLKEKLEGWLVSIKIAFDKKAQKTSVSMNTDNLMRIFTMGIDLTKPFEYLFATGNLRSKTGLGLLQDSGLCVVADKLNFIRYLSHFRCVHRGADFAKMRTTTVRRLLPESWGFLCPVHTPDGEPCGLMNHLTAVCEVVTQFVYTASIPALLCNLGVTPIDGAPHRSYSECYPVLLDGVMVGWVDKDLAPGIADSLRHFKVLREKRIPPWMEVVLIPMTGKPSLYPGLFLFTTPCRLVRPVQNLALGKEELIGTMEQIFMNVAIFEDEVFAGVTTHQELFPHSLLSVIANFIPFSDHNQSPRNMYQCQMGKQTMGFPLLTYQDRSDNKLYRLQTPQSPLVRPSMYDYYDMDNYPIGTNAIVAVISYTGYDMEDAMIVNKASWERGFAHGSVYKSEFIDLSEKIKQGDSSLVFGIKPGDPRVLQKLDDDGLPFIGAKLQYGDPYYSYLNLNTGESFVMYYKSKENCVVDNIKVCSNDTGSGKFKCVCITMRVPRNPTIGDKFASRHGQKGILSRLWPAEDMPFTESGMVPDILFNPHGFPSRMTIGMLIESMAGKSAALHGLCHDATPFIFSEENSALEYFGEMLKAAGYNFYGTERLYSGISGLELEADIFIGVVYYQRLRHMVSDKFQVRTTGARDRVTNQPIGGRNVQGGIRFGEMERDALLAHGTSFLLHDRLFNCSDRSVAHVCVKCGSLLSPLLEKPPPSWSAMRNRKYNCTLCSRSDTIDTVSVPYVFRYFVAELAAMNIKVKLDVV"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MAASQAVEEMRSRVVLGEFGVRNVHTTDFPGNYSGYDDAWDQDRFEKNFRVDVVHMDENSLEFDMVGIDAAIANAFRRILLAEVPTMAVEKVLVYNNTSIVQDEILAHRLGLIPIHADPRLFEYRNQGDEEGTEIDTLQFRLQVRCTRNPHAAKDSSDPNELYVNHKVYTRHMTWIPLGNQADLFPEGTIRPVHDDILIAQLRPGQEIDLLMHCVKGIGKDHAKFSPVATASYRLLPDITLLEPVEGEAAEELSRCFSPGVIEVQEVQGKKVARVANPRLDTFSREIFRNEKLKKVVRLARVRDHYIFSVESTGVLPPDVLVSEAIKVLMGKCRRFLDELDAVQMD"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "sequence": "MDDEEETYRLWKIRKTIMQLCHDRGYLVTQDELDQTLEEFKAQFGDKPSEGRPRRTDLTVLVAHNDDPTDQMFVFFPEEPKVGIKTIKVYCQRMQEENITRALIVVQQGMTPSAKQSLVDMAPKYILEQFLQQELLINITEHELVPEHVVMTKEEVTELLARYKLRENQLPRIQAGDPVARYFGIKRGQVVKIIRPSETAGRYITYRLVQ"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MSDNEDNFDGDDFDDVEEDEGLDDLENAEEEGQENVEILPSGERPQANQKRITTPYMTKYERARVLGTRALQIAMCAPVMVELEGETDPLLIAMKELKARKIPIIIRRYLPDGSYEDWGVDELIITD"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MAAGCSEAPRPAAASDGSLVGQAGVLPCLELPTYAAACALVNSRYSCLVAGPHQRHIALSPRYLNRKRTGIREQLDAELLRYSESLLGVPIAYDNIKVVGELGDIYDDQGHIHLNIEADFVIFCPEPGQKLMGIVNKVSSSHIGCLVHGCFNASIPKPEQLSAEQWQTMEINMGDELEFEVFRLDSDAAGVFCIRGKLNITSLQFKRSEVSEEVTENGTEEAAKKPKKKKKKKDPETYEVDSGTTKLADDADDTPMEESALQNTNNANGIWEEEPKKKKKKKKHQEVQDQDPVFQGSDSSGYQSDHKKKKKKRKHSEEAEFTPPLKCSPKRKGKSNFL"
+  },
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "sequence": "MAGILFEDIFDVKDIDPEGKKFDRVSRLHCESESFKMDLILDVNIQIYPVDLGDKFRLVIASTLYEDGTLDDGEYNPTDDRPSRADQFEYVMYGKVYRIEGDETSTEAATRLSAYVSYGGLLMRLQGDANNLHGFEVDSRVYLLMKKLAF"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MSVMDLANTCSSFQSDLDFCSDCGSVLPLPGAQDTVTCIRCGFNINVRDFEGKVVKTSVVFHQLGTAMPMSVEEGPECQGPVVDRRCPRCGHEGMAYHTRQMRSADEGQTVFYTCTNCKFQEKEDS"
+  },
+  "JDF": {
+    "name": "JDF",
+    "chain_names": [
+      "J"
+    ],
+    "start_res": 1,
+    "sequence": "MIIPVRCFTCGKIVGNKWEAYLGLLQAEYTEGDALDALGLKRYCCRRMLLAHVDLIEKLLNYAPLEK"
+  },
+  "KDF": {
+    "name": "KDF",
+    "chain_names": [
+      "K"
+    ],
+    "start_res": 1,
+    "sequence": "MEEDQELERKISGLKTSMAEGERKTALEMVQAAGTDRHCVTFVLHEEDHTLGNSLRYMIMKNPEVEFCGYTTTHPSESKINLRIQTRGTLPAVEPFQRGLNELMNVCQHVLDKFEASIKDYKDQKASRNESTF"
+  },
+  "LDF": {
+    "name": "LDF",
+    "chain_names": [
+      "L"
+    ],
+    "start_res": 1,
+    "sequence": "MDTQKDVQPPKQQPMIYICGECHTENEIKSRDPIRCRECGYRIMYKKRTKRLVVFDAR"
+  },
+  "MDF": {
+    "name": "MDF",
+    "chain_names": [
+      "M"
+    ],
+    "start_res": 1,
+    "sequence": "MAAEVLPSARWQYCGAPDGSQRAVLVQFSNGKLQSPGNMRFTLYENKDSTNPRKRNQRILAAETDRLSYVGNNFGTGALKCNTLCRHFVGILNKTSGQMEVYDAELFNMQPLFSDVSVESELALESQTKTYREKMDSCIEAFGTTKQKRALNTRRMNRVGNESLNRAVAKAAETIIDTKGVTALVSDAIHNDLQDDSLYLPPCYDDAAKPEDVYKFEDLLSPAEYEALQSPSEAFRNVTSEEILKMIEENSHCTFVIEALKSLPSDVESRDRQARCIWFLDTLIKFRAHRVVKRKSALGPGVPHIINTKLLKHFTCLTYNNGRLRNLISDSMKAKITAYVIILALHIHDFQIDLTVLQRDLKLSEKRMMEIAKAMRLKISKRRVSVAAGSEEDHKLGTLSLPLPPAQTSDRLAKRRKIT"
+  },
+  "NDF": {
+    "name": "NDF",
+    "chain_names": [
+      "N"
+    ],
+    "start_res": 1,
+    "sequence": "MEEPQAGDAARFSCPPNFTAKPPASESPRFSLEALTGPDTELWLIQAPADFAPECFNGRHVPLSGSQIVKGKLAGKRHRYRVLSSCPQAGEATLLAPSTEAGGGLTCASAPQGTLRILEGPQQSLSGSPLQPIPASPPPQIPPGLRPRFCAFGGNPPVTGPRSALAPNLLTSGKKKKEMQVTEAPVTQEAVNGHGALEVDMALGSPEMDVRKKKKKKNQQLKEPEAAGPVGTEPTVETLEPLGVLFPSTTKKRKKPKGKETFEPEDKTVKQEQINTEPLEDTVLSPTKKRKRQKGTEGMEPEEGVTVESQPQVKVEPLEEAIPLPPTKKRKKEKGQMAMMEPGTEAMEPVEPEMKPLESPGGTMAPQQPEGAKPQAQAALAAPKKKTKKEKQQDATVEPETEVVGPELPDDLEPQAAPTSTKKKKKKKERGHTVTEPIQPLEPELPGEGQPEARATPGSTKKRKKQSQESRMPETVPQEEMPGPPLNSESGEEAPTGRDKKRKQQQQQPV"
+  },
+  "ODF": {
+    "name": "ODF",
+    "chain_names": [
+      "O"
+    ],
+    "start_res": 1,
+    "sequence": "MAAPLLHTRLPGDAAASSSAVKKLGASRTGISNMRALENDFFNSPPRKTVRFGGTVTEVLLKYKKGETNDFELLKNQLLDPDIKDDQIINWLLEFRSSIMYLTKDFEQLISIILRLPWLNRSQTVVEEYLAFLGNLVSAQTVFLRPCLSMIASHFVPPRVIIKEGDVDVSDSDDEDDNLPANFDTCHRALQIIARYVPSTPWFLMPILVEKFPFVRKSERTLECYVHNLLRISVYFPTLRHEILELIIEKLLKLDVNASRQGIEDAEETATQTCGGTDSTEGLFNMDEDEETEHETKAGPERLDQMVHPVAERLDILMSLVLSYMKDVCYVDGKVDNGKTKDLYRDLINIFDKLLLPTHASCHVQFFMFYLCSFKLGFAEAFLEHLWKKLQDPSNPAIIRQAAGNYIGSFLARAKFIPLITVKSCLDLLVNWLHIYLNNQDSGTKAFCDVALHGPFYSACQAVFYTFVFRHKQLLSGNLKEGLQYLQSLNFERIVMSQLNPLKICLPSVVNFFAAITNKYQLVFCYTIIERNNRQMLPVIRSTAGGDSVQICTNPLDTFFPFDPCVLKRSKKFIDPIYQVWEDMSAEELQEFKKPMKKDIVEDEDDDFLKGEVPQNDTVIGITPSSFDTHFRSPSSSVGSPPVLYMQPSPL"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7OZN.json

@@ -0,0 +1,119 @@
+{
+  "AD0": {
+    "name": "AD0",
+    "chain_names": [
+      "A",
+      "M"
+    ],
+    "start_res": 1,
+    "sequence": "MHGGGPPSGDSACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEGGEEMDNKFGVEQPEGDEDLTKEKGHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDNELPGLPRAMQKSGRPLKSLKQRLKGKEGRVRGNLMGKRVDFSARTVITPDPNLSIDQVGVPRSIAANMTFAEIVTPFNIDRLQELVRRGNSQYPGAKYIIRDNGDRIDLRFHPKPSDLHLQTGYKVERHMCDGDIVIFNRQPTLHKMSMMGHRVRILPWSTFRLNLSVTTPYNADFDGDEMNLHLPQSLETRAEIQELAMVPRMIVTPQSNRPVMGIVQDTLTAVRKFTKRDVFLERGEVMNLLMFLSTWDGKVPQPAILKPRPLWTGKQIFSLIIPGHINCIRTHSTHPDDEDSGPYKHISPGDTKVVVENGELIMGILCKKSLGTSAGSLVHISYLEMGHDITRLFYSNIQTVINNWLLIEGHTIGIGDSIADSKTYQDIQNTIKKAKQDVIEVIEKAHNNELEPTPGNTLRQTFENQVNRILNDARDKTGSSAQKSLSEYNNFKSMVVSGAKGSKINISQVIAVVGQQNVEGKRIPFGFKHRTLPHFIKDDYGPESRGFVENSYLAGLTPTEFFFHAMGGREGLIDTAVKTAETGYIQRRLIKSMESVMVKYDATVRNSINQVVQLRYGEDGLAGESVEFQNLATLKPSNKAFEKKFRFDYTNERALRRTLQEDLVKDVLSNAHIQNELEREFERMREDREVLRVIFPTGDSKVVLPCNLLR"
+  },
+  "AD1": {
+    "name": "AD1",
+    "chain_names": [
+      "A",
+      "M"
+    ],
+    "start_res": 986,
+    "sequence": "MIWNAQKIFHINPRLPSDLHPIKVVEGVKELSKKLVIVNGDDPLSRQAQENATLLFNIHLRSTLCSRRMAEEFRLSGEAFDWLLGEIESKFNQAIAHPGEMVGALAAQSLGEPATQMTLNTFHYAGVSAKNVTLGVPRLKELINISKKPKTPSLTVFLLGQSARDAERAKDILCRLEHTTLRKVTANTAIYYDPNPQSTVVAEDQEWVNVYYEMPDFDVARISPWLLRVELDRKHMTDRKLTMEQIAEKINAGFGDDLNCIFNDDNAEKLVLRIRIMNSDENKMQEEEEVVDKMDDDVFLRCIESNMLTDMTLQGIEQISKVYMHLPQTDNKKKIIITEDGEFKALQEWILETDGVSLMRVLSEKDVDPVRTTSNDIVEIFTVLGIEAVRKALERELYHVISFDGSYVNYRHLALLCDTMTCRGHLMAITRHGVNRQDTGPLMKCSFEETVDVLMEAAAHGESDPMKGVSENIMLGQLAPAGTGCFDLLLDAEKCKYGMEIPTNIPGLGAAGPTGMFFGSAPSPMGGISPAMTPWNQGATPAYGAWSPSVGSGMTPGAAGFSPSAASDASGFSPGYSPAWSPTPGSPGSPGPSSPYIPSPGGAMSPSYSPTSPAYEPRSPGGYTPQSPSYSPTSPSYSPTSPSYSPTSPNYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPSYSPTSPNYSPTSPNYTPTSPSYSPTSPSYSPTSPNYTPTSPNYSPTSPSYSPTSPSYSPTSPSYSPSSPRYTPQSPTYTPSSPSYSPSSPSYSPTSPKYTPTSPSYSPSSPEYTPTSPKYSPTSPKYSPTSPKYSPTSPTYSPTTPKYSPTSPTYSPTSPVYTPTSPKYSPTSPTYSPTSPKYSPTSPTYSPTSPKGSTYSPTSPGYSPTSPTYSLTSPAISPDDSDEEN"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B",
+      "N"
+    ],
+    "start_res": 1,
+    "sequence": "MYDADEDMQYDEDDDEITPDLWQEACWIVISSYFDEKGLVRQQLDSFDEFIQMSVQRIVEDAPPIDLQAEAQHASGEVEEPPRYLLKFEQIYLSKPTHWERDGAPSPMMPNEARLRNLTYSAPLYVDITKTVIKEGEEQLQTQHQKTFIGKIPIMLRSTYCLLNGLTDRDLCELNECPLDPGGYFIINGSEKVLIAQEKMATNTVYVFAKKDSKYAYTGECRSCLENSSRPTSTIWVSMLARGGQGAKKSAIGQRIVATLPYIKQEVPIIIVFRALGFVSDRDILEHIIYDFEDPEMMEMVKPSLDEAFVIQEQNVALNFIGSRGAKPGVTKEKRIKYAKEVLQKEMLPHVGVSDFCETKKAYFLGYMVHRLLLAALGRRELDDRDHYGNKRLDLAGPLLAFLFRGMFKNLLKEVRIYAQKFIDRGKDFNLELAIKTRIISDGLKYSLATGNWGDQKKAHQARAGVSQVLNRLTFASTLSHLRRLNSPIGRDGKLAKPRQLHNTLWGMVCPAETPEGHAVGLVKNLALMAYISVGSQPSPILEFLEEWSMENLEEISPAAIADATKIFVNGCWVGIHKDPEQLMNTLRKLRRQMDIIVSEVSMIRDIREREIRIYTDAGRICRPLLIVEKQKLLLKKRHIDQLKEREYNNYSWQDLVASGVVEYIDTLEEETVMLAMTPDDLQEKEVAYCSTYTHCEIHPSMILGVCASIIPFPDHNQSPRNTYQSAMGKQAMGVYITNFHVRMDTLAHVLYYPQKPLVTTRSMEYLRFRELPAGINSIVAIASYTGYNQEDSVIMNRSAVDRGFFRSVFYRSYKEQESKKGFDQEEVFEKPTRETCQGMRHAIYDKLDDDGLIAPGVRVSGDDVIIGKTVTLPENEDELEGTNRRYTKRDCSTFLRTSETGIVDQVMVTLNQEGYKFCKIRVRSVRIPQIGDKFASRHGQKGTCGIQYRQEDMPFTCEGITPDIIINPHAIPSRMTIGHLIECLQGKVSANKGEIGDATPFNDAVNVQKISNLLSDYGYHLRGNEVLYNGFTGRKITSQIFIGPTYYQRLKHMVDDKIHSRARGPIQILNRQPMEGRSRDGGLRFGEMERDCQIAHGAAQFLRERLFEASDPYQVHVCNLCGIMAIANTRTHTYECRGCRNKTQISLVRMPYACKLLFQELMSMSIAPRMMSV"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C",
+      "O"
+    ],
+    "start_res": 1,
+    "sequence": "MPYANQPTVRITELTDENVKFIIENTDLAVANSIRRVFIAEVPIIAIDWVQIDANSSVLHDEFIAHRLGLIPLTSDDIVDKLQYSRDCTCEEFCPECSVEFTLDVRCNEDQTRHVTSRDLISNSPRVIPVTSRNRDNDPSDYVEQDDILIVKLRKGQELRLRAYAKKGFGKEHAKWNPTAGVAFEYDPDNALRHTVYPKPEEWPKSEYSELDEDESQAPYDPNGKPERFYYNVESCGSLRPETIVLSALSGLKKKLSDLQTQLSHEIQSDVLTIN"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D",
+      "P"
+    ],
+    "start_res": 1,
+    "sequence": "MAAGGSDPRAGDVEEDASQLIFPKEFETAETLLNSEVHMLLEHRKQQNESAEDEQELSEVFMKTLNYTARFSRFKNRETIASVRSLLLQKKLHKFELACLANLCPETAEESKALIPSLEGRFEDEELQQILDDIQTKRSFQY"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E",
+      "Q"
+    ],
+    "start_res": 1,
+    "sequence": "MDDEEETYRLWKIRKTIMQLCHDRGYLVTQDELDQTLEEFKAQFGDKPSEGRPRRTDLTVLVAHNDDPTDQMFVFFPEEPKVGIKTIKVYCQRMQEENITRALIVVQQGMTPSAKQSLVDMAPKYILEQFLQQELLINITEHELVPEHVVMTKEEVTELLARYKLRENQLPRIQAGDPVARYFGIKRGQVVKIIRPSETAGRYITYRLVQ"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F",
+      "R"
+    ],
+    "start_res": 1,
+    "sequence": "MSDNEDNFDGDDFDDVEEDEGLDDLENAEEEGQENVEILPSGERPQANQKRITTPYMTKYERARVLGTRALQIAMCAPVMVELEGETDPLLIAMKELKARKIPIIIRRYLPDGSYEDWGVDELIISD"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G",
+      "S"
+    ],
+    "start_res": 1,
+    "sequence": "MFYHISLEHEILLHPRYFGPNLLNTVKQKLFTEVEGTCTGKYGFVIAVTTIDNIGAGVIQPGRGFVLYPVKYKAIVFRPFKGEVVDAVVTQVNKVGLFTEIGPMSCFISRHSIPSEMEFDPNSNPPCYKTMDEDIVIQQDDEIRLKIVGTRVDKNDIFAIGSLMDDYLGLVS"
+  },
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H",
+      "T"
+    ],
+    "start_res": 1,
+    "sequence": "MAGILFEDIFDVKDIDPEGKKFDRVSRLHCESESFKMDLILDVNIQIYPVDLGDKFRLVIASTLYEDGTLDDGEYNPTDDRPSRADQFEYVMYGKVYRIEGDETSTEAATRLSAYVSYGGLLMRLQGDANNLHGFEVDSRVYLLMKKLAF"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I",
+      "U"
+    ],
+    "start_res": 1,
+    "sequence": "MEPDGTYEPGFVGIRFCQECNNMLYPKEDKENRILLYACRNCDYQQEADNSCIYVNKITHEVDELTQIIADVSQDPTLPRTEDHPCQKCGHKEAVFFQSHSARAEDAMRLYYVCTAPHCGHRWTE"
+  },
+  "JDF": {
+    "name": "JDF",
+    "chain_names": [
+      "J",
+      "V"
+    ],
+    "start_res": 1,
+    "sequence": "MIIPVRCFTCGKIVGNKWEAYLGLLQAEYTEGDALDALGLKRYCCRRMLLAHVDLIEKLLNYAPLEK"
+  },
+  "KDF": {
+    "name": "KDF",
+    "chain_names": [
+      "K",
+      "W"
+    ],
+    "start_res": 1,
+    "sequence": "MNAPPAFESFLLFEGEKKITINKDTKVPNACLFTINKEDHTLGNIIKSQLLKDPQVLFAGYKVPHPLEHKIIIRVQTTPDYSPQEAFTNAITDLISELSLLEERFRVAIKDKQEGIE"
+  },
+  "LDF": {
+    "name": "LDF",
+    "chain_names": [
+      "L",
+      "X"
+    ],
+    "start_res": 1,
+    "sequence": "MDTQKDVQPPKQQPMIYICGECHTENEIKSRDPIRCRECGYRIMYKKRTKRLVVFDAR"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7P2Y.json

@@ -0,0 +1,80 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A",
+      "B",
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MQQLNPSEISALIKQRIGDLDTSATAKNEGTIVMVSDGIVRIHGLADAMYGEMIEFDGGLFGMALNLEQDSVGAVVLGNYLSLQEGQKARCTGRVLEVPVGPELLGRVVDALGNPIDGKGPIDAKLTDAVEKVAPGVIWRQSVDQPVQTGYKSVDTMIPVGRGQRELIIGDRQTGKTAMAIDAIIAQKNSGIKCVYVAIGQKQSTIANVVRKLEETGAMAYTTVVAAAAADPAAMQYLAPYSGCTMGEYFRDRGEDALIIYDDLSKQAVAYRQISLLLRRPPGREAYPGDVFYLHSRLLERASRVSAEYVEKFTNGAVTGKTGSLTALPIIETQAGDVSAFVPTNVISITDGQIFLETSLFNAGIRPAVNAGISVSRVGGSAQTKIIKKLSGGIRTALAQYRELAAFAQFASDLDEATRKQLEHGQRVTELMKQKQYAPYSIADQAVSVYASNEGYMADVEVKKIVDFDAALIAYFRSEYAPLMKQIDETGDYNKDIEAAIKAGIESFKATQTY"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D",
+      "E",
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MSSGRIIQIIGAVIDVEFERTSVPKIYDALQVDGTETTLEVQQQLGDGVVRTIAMGSTEGLKRGLTVTSTNAPISVPVGTATLGRIMDVLGRPIDEAGPVATEERLPIHRQAPSYAEQAASTDLLETGIKVIDLLCPFAKGGKVGLFGGAGVGKTVNMMELINNIAKAHSGLSVFAGVGERTREGNDFYHEMKDSNVLDKVAMVYGQMNEPPGNRLRVALTGLTMAEYFRDEKDENGKGRDVLLFVDNIYRYTLAGTEVSALLGRMPSAVGYQPTLAEEMGVLQERITSTKSGSITSIQAVYVPADDLTDPSPATTFAHLDATVVLSRDIASSGIYPAIDPLDSTSRQLDPLVVGQEHYEIARAVQNVLQRYKELKDIIAILGMDELAEEDKLVVYRARKIQRFFSQPFHVAEVFTGAPGKLVPLKETIRGFKGLLAGEYDHIPEQAFYMVGGIDEVIAKAEKL"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G",
+      "H",
+      "J",
+      "K",
+      "L",
+      "O",
+      "P",
+      "Q",
+      "R",
+      "S"
+    ],
+    "start_res": 1,
+    "sequence": "MELTLGLVAIASAILIAFGALGTAIGFGLLGGRFLEAVARQPELAPQLQTRMFLIAGLLDAVPMIGVGIGLFFIFANPFVG"
+  },
+  "aDF": {
+    "name": "aDF",
+    "chain_names": [
+      "a"
+    ],
+    "start_res": 1,
+    "sequence": "MAAEEHALTSTEYIKHHLTNMTYGKMPDGTWKLAETAEEAHSMGFTAIHLDSMGWSIGLGVIFCLLFWIVARAANAGVPTKFQSAIEMIIEFVDSSVRDTFHGKSRLIAPLALTIFVWIFLMNLMDLIPVDWIPQVAAFVGANVFGMDPHHVYFKIVPSTDPNITLGMSLSVFVLILFYSIREKGVGGFVGELALNPFNPSNPVAKALLIPVNLILELVTFLARPISLALRLFGNMYAGELIFILIALLPFWIQWALSVPWAIFHILVITLQAFIFMMLTIVYLSMASEKH"
+  },
+  "bDF": {
+    "name": "bDF",
+    "chain_names": [
+      "b",
+      "p"
+    ],
+    "start_res": 1,
+    "sequence": "MNINLTLIGQAIAFAFFVAFCMKFVWPPLINAISERQRKIADGLNAAEKAKADLADAQAQVKQELDAAKAQAAQLIEQANRRAAQLIEEARTQAAAEGERIRQQAKEAVDQEINSAREELRQQVAALAVTGAEKILNQQVDAEAHNAMLSQLAAKL"
+  },
+  "dDF": {
+    "name": "dDF",
+    "chain_names": [
+      "d"
+    ],
+    "start_res": 1,
+    "sequence": "MAELLTLARPYAKAAFAYASEQGATDNWSNALQVLSAAVQDEAFSAYLNRPELTPAEQVKLFAKVLGEDQSQAVSNFLTLLADNDRLVLLPEIAAEYEQLKSQNNNNVDVVIESAFPLTAEQEQLLKSALEKRFNSTVTVSVEVKPELIAGVVIRAGDQVIDDSALNKLEKMRTRLLA"
+  },
+  "eDF": {
+    "name": "eDF",
+    "chain_names": [
+      "e"
+    ],
+    "start_res": 1,
+    "sequence": "MATMQCDVVSVKESIYSGAVTMLIAKGAGGELGILPGHAPLVTLLQPGPIRVLLENGTEEIVYVSGGVLEVQPHVVTVLADTAIRADNLDEAAILEARKNAEQLLANQKSDLDSAAALAALAETAAQLETIRKIKNRAQ"
+  },
+  "gDF": {
+    "name": "gDF",
+    "chain_names": [
+      "g"
+    ],
+    "start_res": 1,
+    "sequence": "MANLKEIRAKVASIKSTQKITRAMQMVAASKMRRAQERMAQGRPYADNMRRVIAHLVQANPEYKHRYMVDRPVKRVGYIIVSSDRGLAGGLNINLFKKVVQHVKAQQEQSIEVQFALIGQKAVSFFKNYGGKVLGATTQIGDAPSLEQLTGSVQVMLDAFDKGELDRIYLVSNGFVNAMTQKPKVEQLVPLAPAEEGDDLNRTYGWDYIYEPEAEELLNGLLVRYIESMVYQGVIENVACEQSARMVAMKAATDNAGQLIKDLQLIYNKLRQAAITQEISEIVGGAAAV"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7PKN.json

@@ -0,0 +1,90 @@
+{
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "sequence": "MEEQPQMQDADEPADSGGEGRAGGPPQVAGAQAACSEDRMTLLLRLRAQTKQQLLEYKSMVDASEEKTPEQIMQEKQIEAKIEDLENEIEEVKVAFEIKKLALDRMRLSTALKKNLEKISRQSSVLMDNMKHLLELNKLIMKSQQESWDLEEKLLDIRKKRLQLKQASESKLLEIQTEKNKQKIDLDSMENSERIKIIRQNLQMEIKITTVIQHVFQNLILGSKVNWAEDPALKEIVLQLEKNVDMM"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MSPQKRVKNVQAQNRTSQGSSSFQTTLSAWKVKQDPSNSKNISKHGQNNPVGDYEHADDQAEEDALQMAVGYFEKGPIKASQNKDKTLEKHLKTVENVAWKNGLASEEIDILLNIALSGKFGNAVNTRILKCMIPATVISEDSVVKAVSWLCVGKCSGSTKVLFYRWLVAMFDFIDRKEQINLLYGFFFASLQDDALCPYVCHLLYLLTKKENVKPFRVRKLLDLQAKMGMQPHLQALLSLYKFFAPALISVSLPVRKKIYFKNSENLWKTALLAVKQRNRGPSPEPLKLMLGPANVRPLKRKWNSLSVIPVLNSSSYTKECGKKEMSLSDCLNRSGSFPLEQLQSFPQLLQNIHCLELPSQMGSVLNNSLLLHYINCVRDEPVLLRFYYWLSQTLQEECIWYKVNNYEHGKEFTNFLDTIIRAECFLQEGFYSCEAFLYKSLPLWDGLCCRSQFLQLVSWIPFSSFSEVKPLLFDHLAQLFFTSTIYFKCSVLQSLKELLQNWLLWLSMDIHMKPVTNSPLETTLGGSMNSVSKLIHYVGWLSTTAMRLESNNTFLLHFILDFYEKVCDIYINYNLPLVVLFPPGIFYSALLSLDTSILNQLCFIMHRYRKNLTAAKKNELVQKTKSEFNFSSKTYQEFNHYLTSMVGCLWTSKPFGKGIYIDPEILEKTGVAEYKNSLNVVHHPSFLSYAVSFLLQESPEERTVNVSSIRGKKWSWYLDYLFSQGLQGLKLFIRSSVHHSSIPRAEGINCNNQY"
+  },
+  "KDF": {
+    "name": "KDF",
+    "chain_names": [
+      "K"
+    ],
+    "start_res": 1,
+    "sequence": "MNQEDLDPDSTTDVGDVTNTEEELIRECEEMWKDMEECQNKLSLIGTETLTDSNAQLSLLIMQVKCLTAELSQWQKKTPETIPLTEDVLITLGKEEFQKLRQDLEMVLSTKESKNEKLKEDLEREQRWLDEQQQIMESLNVLHSELKNKVETFSESRIFNELKTKMLNIKEYKEKLLSTLGEFLEDHFPLPDRSVKKKKKNIQESSVNLITLHEMLEILINRLFDVPHDPYVKISDSFWPPYVELLLRNGIALRHPEDPTRIRLEAFHQ"
+  },
+  "LDF": {
+    "name": "LDF",
+    "chain_names": [
+      "L"
+    ],
+    "start_res": 1,
+    "sequence": "MDSYSAPESTPSASSRPEDYFIGATPLQKRLESVRKQSSFILTPPRRKIPQCSQLQEDVDPQKVAFLLHKQWTLYSLTPLYKFSYSNLKEYSRLLNAFIVAEKQKGLAVEVGEDFNIKVIFSTLLGMKGTQRDPEAFLVQIVSKSQLPSENREGKVLWTGWFCCVFGDSLLETVSEDFTCLPLFLANGAESNTAIIGTWFQKTFDCYFSPLAINAFNLSWMAAMWTACKMDHYVATTEFLWSVPCSPQSLDISFAIHPEDAKALWDSVHKTPGEVTQEEVDLFMDCLYSHFHRHFKIHLSATRLVRVSTSVASAHTDGKIKILCHKYLIGVLAYLTELAIFQIE"
+  },
+  "MDF": {
+    "name": "MDF",
+    "chain_names": [
+      "M"
+    ],
+    "start_res": 1,
+    "sequence": "MSVLRPLDKLPGLNTATILLVGTEDALLQQLADSMLKEDCASELKVHLAKSLPLPSSVNRPRIDLIVFVVNLHSKYSLQNTEESLRHVDASFFLGKVCFLATGAGRESHCSIHRHTVVKLAHTYQSPLLYCDLEVEGFRATMAQRLVRVLQICAGHVPGVSALNLLSLLRSSEGPSLEDL"
+  },
+  "NDF": {
+    "name": "NDF",
+    "chain_names": [
+      "N"
+    ],
+    "start_res": 1,
+    "sequence": "MDETVAEFIKRTILKIPMNELTTILKAWDFLSENQLQTVNFRQRKESVVQHLIHLCEEKRASISDAALLDIIYMQFHQHQKVWEVFQMSKGPGEDVDLFDMKQFKNSFKKILQRALKNVTVSFRETEENAVWIRIAWGTQYTKPNQYKPTYVVYYSQTPYAFTSSSMLRRNTPLLGQALTIASKHHQIVKMDLRSRYLDSLKAIVFKQYNQTFETHNSTTPLQERSLGLDINMDSRIIHENIVEKERVQRITQETFGDYPQPQLEFAQYKLETKFKSGLNGSILAEREEPLRCLIKFSSPHLLEALKSLAPAGIADAPLSPLLTCIPNKRMNYFKIRDK"
+  },
+  "ODF": {
+    "name": "ODF",
+    "chain_names": [
+      "O"
+    ],
+    "start_res": 1,
+    "sequence": "MEQANPLRPDGESKGGVLAHLERLETQVSRSRKQSEELQSVQAQEGALGTKIHKLRRLRDELRAVVRHRRASVKACIANVEPNQTVEINEQEALEEKLENVKAILQAYHFTGLSGKLTSRGVCVCISTAFEGNLLDSYFVDLVIQKPLRIHHHSVPVFIPLEEIAAKYLQTNIQHFLFSLCEYLNAYSGRKYQADRLQSDFAALLTGPLQRNPLCNLLSFTYKLDPGGQSFPFCARLLYKDLTATLPTDVTVTCQGVEVLSTSWEEQRASHETLFCTKPLHQVFASFTRKGEKLDMSLVS"
+  },
+  "PDF": {
+    "name": "PDF",
+    "chain_names": [
+      "P"
+    ],
+    "start_res": 1,
+    "sequence": "MDAELAEVRALQAEIAALRRACEDPPAPWEEKSRVQKSFQAIHQFNLEGWKSSKDLKNQLGHLESELSFLSTLTGINIRNHSKQTEDLTSTEMTEKSIRKVLQRHRLSGNCHMVTFQLEFQILEIQNKERLSSAVTDLNIIMEPTECSELSEFVSRAEERKDLFMFFRSLHFFVEWFEYRKRTFKHLKEKYPDAVYLSEGPSSCSMGIRSASRPGFELVIVWRIQIDEDGKVFPKLDLLTKVPQRALELDKNRAIETAPLSFRTLVGLLGIEAALESLIKSLCAEENN"
+  },
+  "QDF": {
+    "name": "QDF",
+    "chain_names": [
+      "Q"
+    ],
+    "start_res": 1,
+    "sequence": "MSGKANASKKNAQQLKRNPKRKKDNEEVVLSENKVRNTVKKNKNHLKDLSSEGQTKHTNLKHGKTAASKRKTWQPLSKSTRDHLQTMMESVIMTILSNSIKEKEEIQYHLNFLKKRLLQQCETLKVPPKKMEDLTNVSSLLNMERARDKANEEGLALLQEEIDKMVETTELMTGNIQSLKNKIQILASEVEEEEERVKQMHQINSSGVLSLPELSQKTLKAPTLQKEILALIPNQNALLKDLDILHNSSQMKSMSTFIEEAYKKLDAS"
+  },
+  "RDF": {
+    "name": "RDF",
+    "chain_names": [
+      "R"
+    ],
+    "start_res": 1,
+    "sequence": "MPVKRSLKLDGLLEENSFDPSKITRKKSVITYSPTTGTCQMSLFASPTSSEEQKHRNGLSNEKRKKLNHPSLTESKESTTKDNDEFMMLLSKVEKLSEEIMEIMQNLSSIQALEGSRELENLIGISCASHFLKREMQKTKELMTKVNKQKLFEKSTGLPHKASRHLDSYEFLKAILN"
+  },
+  "UDF": {
+    "name": "UDF",
+    "chain_names": [
+      "U"
+    ],
+    "start_res": 1,
+    "sequence": "MAPRGRRRPRPHRSEGARRSKNTLERTHSMKDKAGQKCKPIDVFDFPDNSDVSSIGRLGENEKDEETYETFDPPLHSTAIYADEEEFSKHCGLSLSSTPPGKEAKRSSDTSGNEASEIESVKISAKKPGRKLRPISDDSESIEESDTRRKVKSAEKISTQRHEVIRTTASSELSEKPAESVTSKKTGPLSAQPSVEKENLAIESQSKTQKKGKISHDKRKKSRSKAIGSDTSDIVHIWCPEGMKTSDIKELNIVLPEFEKTHLEHQQRIESKVCKAAIATFYVNVKEQFIKMLKESQMLTNLKRKNAKMISDIEKKRQRMIEVQDELLRLEPQLKQLQTKYDELKERKSSLRNAAYFLSNLKQLYQDYSDVQAQEPNVKETYDSSSLPALLFKARTLLGAESHLRNINHQLEKLLDQG"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7QRU.json

@@ -0,0 +1,59 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MTVLHWATISPFLLAILIPFLYKYARRIHTGWFVLALPLVLFIYFIRYLSVTSTGGVVEHTIPWVPSLGINFTVFVDGLSLLFALLITGIGTLVILYSIFYLSKKTESLNNFYVYLLMFMGAMLGVVLSDNLIVLYVFWELTSLASSLLISYWFHREKSTYGAQKSMLITVFGGFAMLGGFSLLYVMTGTFSIRGIIENVDLVTSSELFLPAMILVLLGAFTKSAQFPFHIWLPDAMEAPTPVSAYLHSATMVKAGIYLVARLTPVFAGSAEWFWLLTGFGVVTLLWGSTSAVRQKDLKGILAFSTVSQLGLIMTLLGLGSAAIYFGDSVDPAFYSFAIMAAIFHLINHATFKGSLFMTAGIIDHETGTRDIRKLGGLMAIMPVTFTVSLIGLASMAGLPPFNGFLSKEMFFTALLRATEMNTFNMETFGIIIVVLAWIASVFTFLYCLIMFFKTFTGKFKPENYDVKVHEAPIGMLISPVILGSLVIVFGFFPNILAYTIIEPAMQAILPTLLADGEVFYVNIYMWHGFNAELFMTMGVVAAGIILFLMMKNWAKTAFYMKERDPLNWFYDNSLSGVITGSQAVTRIQMTGLLRDYFAYMTTFMILLLGYTMFRYDAFTIDTTNVTGIAPYIWVITLVFIAATLSIPFINKRITAVVVVGVIGFLLALLFVVFRAPDLALTQLLVETVTVLLLMLAFYHLPELRKEEFKPRFNIVNLIISIGVGFLVTAIALSSLALGNEAGIEPISQFFVENSKELAGGYNMVNVILVDFRGLDTLLEVLVLGIAALGVIALIKLRMTGREDV"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MKNLKSNDVLLHSVTRVVTFIILAFSVYLFFAGHNNPGGGFIGGLMTASALLLMYLGFDMKSIKKAIPFDFTKMIAFGLLLAIITGFGGLLVGDPYLTQYFEYYQIPILGETELTTALPFDLGIYLVVVGIALTIILTIAEDDM"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MEILMSITVGVLFMVGTYLILTKSLLRVVVGLILLSHGAHLLLLTMAGLQRGAPPLLHLEATTYSDPLPQALILTAIVISFGVTSFLLVLAYRTYKEHKTDDLDQLRGSADE"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "sequence": "MNNLVILPILIPFIVGTILILFAKNHSLQRVISGFTVIGMLLVAIYLAMDVYQNGISVLELGNWQAPFGIVLVADMFATMMVILASIVGVVCLFFAFQTISSEREKYYFYPFYFFLLAGVNGAFLTGDLFNLFVFFEVMLIASYILIVLGGTKYQLRESLKYVMINVFASILFIVGVAYIYSVTGTLNMADLAVKVGQLEQTGVLNVIAVIFLVVFAMKGGLFPLYFWLPRSYYGPPAAIAALFGGLLTKVGIYAIMRTFTLIFTHDPDFTHMLILILAGLTMFFGVLGAVSQFDFKRILSYHIISQVGYMVMGLGIYTQLAIAGAIYYIAHHIIVKAALFLFAGATQRITGTTDLKKMGGLLKTHPWLAWMFFISAISLAGIPPLSGFFSKFALILAAFLNENYIIAAVALAVGLLTLFSMMKIFIYAFWGEQKHTEQQANFKVGKLLLPIVPLVALTIILGFAAEPIFQYSLQVADQILDPTIYIESVLKE"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E",
+      "e"
+    ],
+    "start_res": 1,
+    "sequence": "MAFQILLNLVIAVIWVNFQNSYTAVDFLIGYVVGIFILFVLRRFLRFDFYMRRVWAIIKLIVLFFKELILANIDVIKIVLSPKMNIQPGIVAVPTKLKTDWELSLLASLISLTPGTLSMDFSDDNKYIYIHAIDVPNKEKMIRDIHDTFERAILEVTN"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MFQSILMIVLVVMSISLFVCFIRTLIGPTMSDRIVALDTFGINLIGFIGVIMMLQETLAYSEVVLVISILAFIGSIALSKFIERGVVFDRG"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MTAVEIIISIFVLIGGFLSLLGSIGIIRFPDVYGRLHAATKSATLGVISIMLATFLFFFLVHGEFVGKLLLTILFVFLTAPVAGMMMGRSAYRVGVPLWEKSTQDDLKKMYEKKMKGSNHHHHHHDYKDDDDK"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7QVE.json

@@ -0,0 +1,128 @@
+{
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B",
+      "h"
+    ],
+    "start_res": 1,
+    "sequence": "MSRGSGAGYDRHITIFSPEGRLFQVEYAFKAVKSGGVTSIAVRGKDSVCVVTQKKVPDKLLDQTSVSHLFKITKFLGLLATGMTADARNLVQQARNEAAEFRHKYGYEMPVDALARWIADKSQVYTQHAYMRPLGVVAIVIGIDEENGPQLFKCDPAGHFYGHKATSAGSKDQEAINFLEKKMKNDPAFSYEETVQTAISALQSVLQEDFKATEIEVGVVQVANPVFRSLTTEEIDEHLTAISERD"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C",
+      "i"
+    ],
+    "start_res": 1,
+    "sequence": "MGDSQYSFSLTTFSPSGKLVQIEHALTAVGSGQTSLGIKAANGVVIATEKKLPSILVDEASVQKIQLLTPNIGVVYSGMGPDSRVLVRKSRKQAEQYYKLYKEPIPVTQLVRETAAVMQEFTQSGGVRPFGVSLLIAGFDENGPQLYQVDPSGSYFSWKASAMGKNVSNAKTFLEKRYTDDMELDDAVHTAILTLKEGFEGQISGKNIEIGIIGTDKKFRVLTPAEIDDYLGEVE"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D",
+      "j"
+    ],
+    "start_res": 1,
+    "sequence": "MSRRYDSRTTIFSPEGRLYQVEYAMEAIGNAGSAIGILAKDGVVLIGEKKVTSKLLQTSTSTEKMYKIDDHVACAVAGIMSDANILINTARVQAQRYTFSYQEPMPVEQLVQSLCDTKQGYTQFGGLRPFGVSFLFAGWDKNYGFQLYMSDPSGNYGGWKATAIGANNQAAQSMLKQDYKDDVTREDAVKLALKVLSKTMDSTSLTSEKLELAEVYLLPSGKVKYQVHSPESLNRLLTESGLTQPAAETS"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E",
+      "k"
+    ],
+    "start_res": 1,
+    "sequence": "MARYDRAITVFSPDGHLFQVEYALEAVRKGNAAVGVRGTDTVVLGVEKKSAAKLQDSRSVRKIVNLDNHIALACAGLKADARVLINKARIECQSHKLTLEDPVTVEYITRYIAGLQQKYTQSGGVRPFGLSTLIVGFDPYTDVPALYQTDPSGTFSAWKANATGRNSNSIREFLEKNYKETSGQETVKLAIRALLEVVESGGKNLEVAVMRKEGLHQLEESEIDAIVAEIEAEKAAAEAAKKGPASS"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F",
+      "l"
+    ],
+    "start_res": 1,
+    "sequence": "MFLTRTEYDRGVNTFSPEGRLFQVEYAIEAIKLGSTAIGIKTKEGVVLAVEKRITSPLLEPSSVEKIMEIDDHIGCAMSGLIADARTLVEHARVETQNHRFSYGEPMTVESTTQALCDLALRFGEGDEESMSRPFGVSLLIAGHDENGPSLYYTDPSGTFWQCSAKAIGSGSEGADSSLQEQFRKDLSFQEAETIALSILKQVMEEKLTPNNVDIAKVSPTYHLYSPSEVEAVIGRL"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G",
+      "m"
+    ],
+    "start_res": 1,
+    "sequence": "MFRNQYDTDVTTWSPAGRLFQVEYAMEAVKQGSAAIGLRSKTHVVLACVNKAQSELSSHQRKIFKVDDHIGVAIAGLTADGRVLSRYMRSECINYGFTYESSLPVGRLVVQLADKAQVCTQRSWKRPYGVGLLVGGLDESGAHLYYNCPSGNYFEYQAFAIGSRSQAAKTYLERKFDTFDGATRDELIKHALFSIKETLQGEKLTSSVCTISVVGVGEPFQTLDQQMVQDLINSFETVEEEAPAAEEADAAPEEAAAAVADQGASDEGAAPMEE"
+  },
+  "XDF": {
+    "name": "XDF",
+    "chain_names": [
+      "X",
+      "n"
+    ],
+    "start_res": 1,
+    "sequence": "MSSIGTGYDLSVTTFSPDGRVFQIEYAAKAVDNSGTAVGIKCKDGIVLGVEKLIQSKMMLPGSNRRIHSVHRHSGMAVAGLAADGRQIVARAKSEATNYESVYGEAVPVKELADRVASYVHLCTLYWWLRPFGCGVILGGYDRDGPQLYMVEPSGISYRYFGAAIGKGKQAAKTEIEKLKLSEMTCREGIIEVAKIIYKVHDEAKDKAFELEMSWICDESKREHQKVPDNLLQEAKAAATAALEEMDAD"
+  },
+  "aDF": {
+    "name": "aDF",
+    "chain_names": [
+      "a",
+      "o"
+    ],
+    "start_res": 1,
+    "sequence": "MEDLGLNAPHSMGTTIIGVTYKDGVILGADSRTSTGVYVANRASDKITQLTDNVYVCRSGSAADSQIVSDYVRYFLHQHTIQLGQPATVKVAANLVRLLAYGNKDTLQTGMIVGGWDKYEGGKIYGIPLGGTIIEQPFSIGGSGSSYLYGFLDQAWKDGMSKDEAEELVKKAVSLAIARDGASGGVVRTVIINEEGVTRNFYPGDQLPLWHEELEPQNSLLDIWGAAAASPVPMTE"
+  },
+  "bDF": {
+    "name": "bDF",
+    "chain_names": [
+      "b",
+      "p"
+    ],
+    "start_res": 1,
+    "sequence": "MTNGAFEVPAKGGFSFDNCKRNEMLLNKGLKAPGFLKTGTTIVGLVYQDGVILGADTRATEGPIVADKNCEKIHYMAPNIYCCGAGTAADTEAVTDMVSSQLKLHRYHTGRESRVITALTLLKSHLFRYQGHVSAALVLGGVDVSGPHLHTIYPHGSTDTLPFATMGSGSLAAMSVFESKYREGLTRDEGVKIVCEAIASGIFNDLGSGSNVDVCVITKGNVEYLRNHVQPNPRTYTSAKGYTFSKPTEVLSTKVTALAQRAVVTERGDAMEEE"
+  },
+  "cDF": {
+    "name": "cDF",
+    "chain_names": [
+      "c",
+      "q"
+    ],
+    "start_res": 1,
+    "sequence": "MSIFEYNGSATVAMVGKNCIAIGSDRRLGVQLQTIATDFQRIFQIHDRLFIGLSGLGSDAQTLYQRLVFRHKLYQLREERDMKPETFANLVSAILYEKRFGPYFCQPVIAGLGDDNKPFICTMDSIGAKELAKDFVVAGTASESLYGACESMYKPDMEPEELFETVSQALQASVDRDCLSGWGGHVYIVTPTEIKEHILKGRMD"
+  },
+  "dDF": {
+    "name": "dDF",
+    "chain_names": [
+      "d",
+      "r"
+    ],
+    "start_res": 1,
+    "sequence": "MECVFGLVGNGFAIIAADTSAVNSILVHKTNEDKIMKLDSHKLMGASGEAGDRVQFTEFVQKNVSLYQFRNGIPLTTAAAANFTRGELATALRKNPYSVNIILAGFDQDTGPSLYFIDYIATLHKVDKAAFGYGSYFALAMMDRHYRSDMSVDEAIKLVDECIAEIRTRLVVAPPNFVIKIVDKDGAREFAWRQSIKDQGVEDANAASA"
+  },
+  "eDF": {
+    "name": "eDF",
+    "chain_names": [
+      "e",
+      "s"
+    ],
+    "start_res": 1,
+    "sequence": "MKLDTSGLESTAPIFRRSDFVFDGLQMTPSFDLPNPTDFDGFQKEAVQMVKPAKGTTTLAFIFKHGVMVAADSRASMGGYISSQSVKKIIEINPYMLGTMAGGAADCQFWHRNLGIKCRLHELANKRRISVTGASKLLANILYNYRGMGLSVGTMIAGWDETGPGLYYVDSEGGRLKGMRFSVGSGSPYAYGVLDNGYKYDMTVEEASELARRAIYHATYRDGASGGVVSVYHVGPDGWKKVTGDDVGDLHFQYYPVVPATVEQEMVEVVGA"
+  },
+  "fDF": {
+    "name": "fDF",
+    "chain_names": [
+      "f",
+      "t"
+    ],
+    "start_res": 1,
+    "sequence": "MTKEHANWSPYDFNGGTCVAVAGADYCVIAADTRMSTGYNILTRDYSKICKLAEKSVLASSGFQADVRALQKHLDARHLIYQHQHNKQMSCPAMAQLLSNTLYYKRFFPYYAFNVLGGLDNEGKGCVFTYDAVGSYEKVGYSSQGSGAKLIMPFLDNQLKSPSPLLIPAQDAVTPLSESEAIDLVRTAFASATERDIYTGDKLEILVLNKEGLRREYMELRLD"
+  },
+  "gDF": {
+    "name": "gDF",
+    "chain_names": [
+      "g",
+      "u"
+    ],
+    "start_res": 1,
+    "sequence": "MDPKNTSPLLVDDIQRTQYPYVTGTSVIGIKYKDGILIAADMGGSYGSTLRYKSVERLKGIGKHSLLGASGEISDFQELLRYLDDLILYDNMWDDGNSFGPKEVHNYLTRVMYNRRNKFNPLWNSLVLGGVKNGQKYLGTVNMIGVHYQDNHVATGFGNHLAVPILRDEWKEDLSFEDGVRLLEKCMRVLLYRDRSAVNKLQIAKITEEGGVTISPPYSLKTYWEFAAFKNPTAGAEGSW"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7T2R.json

@@ -0,0 +1,47 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A",
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MKEITLTIDGKVCKGVQGDTILDVANKNDVYIPTLCYQKGLTPIGACRMCVVQLEGNPKMLPSCTTPAQDGMVVVTKNEKLKDYRRQILELLFAGRNHFCMYCSQSGDCELQRLAIEHEMDSVRFPYLYEDFEVDATDPNLMMDHNRCVLCQRCIRTCSEIVGAHTLDLERRGWQAKVIADLGKRLRESDTCVNCGACAQSCPTGTITIREFAYRGRRSECDAVVESVCPLCAVGCKIKTYVRTGSIVRVEGTGVEEPDGGQLCHMGRWWLPESTERERVTVPLIREGASYREATWEEALALASAEFKKAYDQEKAGAILSSLCTDEELTLFSALFRNALKMKHIDTFDGDIIRGFFKGFMPFREQGVRPFTAAHHILDSDLIITMFADPQKEAPVVASYIRVACLHRNAKLMNLSYGPSPFPGLVDLDIRLPEGQAVPKALSNLAEIIGKISLGPSDMASFGEFEAGAGKALSSYRESIEESARAMGLDPKIAEEVALMLISARRPIFIIGGRATKSHELVTAACNLAVASKAFFEDGLGVVPLLVSANSLGARNTVVSENPWLGRERRDFLYVFSTAMVPEEEEILAAISATRFVVVQTPFKVRPLVNLADILLPAPAWYERSGHFCTIEGERRKLNTIVPPKGEIKSLHYVMDEFAKKLGVKLERPEVSPCEEIFKSQLRASEARIVTL"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B",
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MAIYRAHVLVCRGTGCTASGAPGVMKAFKEELAKKGLDREVMLVETGCHGMCEMGPVVVVYPEGAFYCRVTPEDVPEIVEEHLYKGRIVQRLLYTVPEDMEKVPYYKDIPFYSKQHRIVLSNCGYIDPEKIEEYIARDGYMALGKALLEMTPEEVLEEVKKSGLRGRGGAGFPTGLKWEFAKKASGDKKYVICNADEGDPGAFMDRSTLEGDPHSVIEGMTIGAYVIGADEGYIYCRAEYPLAIKRLKIAIAQAEEMGLLGDHIMGTNFSFHLHLKEGAGAFVCGEETALMASIEGRRGMPRPRPPFPAQHGLWGKPTNINNVETWANVPRIILNGADWFASMGTEKSKGTKIFALTGKITNTGLIEVPMGITIREIIYELGGGILNGKEFKAVQIGGPSGGCLTKEHLDLPIDYESLTAAGAIMGSGGLVVMDEDTCMVDVAKFFLEFTQRESCGKCVPCREGTKQMLLMLQKICNGEGTMDDLSKLEELAHMVKETSLCGLGQTAPNPVITTIRYFRDEYVAHIKDKRCPAKICPALIKYVVDPEKCRKCGLCARNCPVKCISGDRQTPYLINQEKCIKCGTCMQVCPFGAIGKV"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C",
+      "H"
+    ],
+    "start_res": 1,
+    "sequence": "MALSTVDVVEKVKEIVAPWKGKQGGLIPILQEVQRELGYLPEEALLTISRELKMPKAEVYGVATFYAQFHLKPRGRHVIRVCRGTACHVRGSLQILEKVKQMLGIEENETTDDLRFTLEPVACLGACGLAPVMMVDEDTHGRMTPDKIQAILDKYQ"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D",
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MTEVFKLEINPVTRIEGHGKITVMLDESGHVRETRFHVTQYRGFEVFTHGRDFREMPVITPRICGICPVSHHLASAKACDEILGVTITPAAHKLRELMHMGQIVQSHALSFFHLSSPDILWGFDAPVKIRNVAGLVDRYPELAKKGIMLRKFGQEIIKTLGGKKIHPWHSIPGGVNRSLTPQERDAIAAQLPEMKSIAMEAIKLIKDYLQEGGEELKEFATLDTAYMGLVRDGYLELYDGEVRIKAPRGRILDQFDPKDYLDHIGEHVEPWSYLKFPFYKALGFPHGSYRVGPLARLNAADAVSTPEASKEFALYKEMGEDGIVPYTLYYHYARLIEALYGLERIEQLLADPDITSSDLRVTSKEINPEGIGVIEAPRGTLIHHYQVNESGVITKVNLIVATGHNNFAMNKGVEMVAKKYITGTNVPEGVFNRLEHVIRAYDPCLSCSTHAVGKMPLKLELVGPTGEILKEVTRD"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E",
+      "J"
+    ],
+    "start_res": 1,
+    "sequence": "MAKAKVATFWLEACAGCHMSFLDLDERLIDLFQNVEILFSPIVDAKDIPNIDVGVLSGGLGNVEEVELAKKMRERCKYLVAWGDCAVFGGINCMRNFIPKDVVLREGYIETASTVNPQGIVPSEDIPELLPRALPIDYEVKVDVYVPGCPPDADTIYYVFKELLAGRVPKVPSEMMRYD"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7T3B.json

@@ -0,0 +1,82 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MRTTKVYKLVIHKKGFGGSDDELVVNPKVFPHIKLGDIVEIAHPNDEYSPLLLQVKSLKEDLQKETISVDQTVTQVFRLRPYQDVYVNVVDPKDVTLDLVELTFKDQYIGRGDMWRLKKSLVSTCAYITQKVEFAGIRAQAGELWVKNEKVMCGYISEDTRVVFRSTSAMVYIFIQMSCEMWDFDIYGDLYFEKAVNGFLADLFTKWKEKNCSHEVTVVLFSRTFYDAKSVDEFPEINRASIRQDHKGRFYEDFYKVVVQNERREEWTSLLVTIKKLFIQYPVLVRLEQAEGFPQGDNSTSAQGNYLEAINLSFNVFDKHYINRNFDRTGQMSVVITPGVGVFEVDRLLMILTKQRMIDNGIGVDLVCMGEQPLHAVPLFKLHNRSAPRDSRLGDDYNIPHWINHSFYTSKSQLFCNSFTPRIKLAGKKPASEKAKNGRDTSLGSPKESENALPIQVDYDAYDAQVFRLPGPSRAQCLTTCRSVRERESHSRKSASSCDVSSSPSLPSRTLPTEEVRSQASDDSSLGKSANILMIPHPHLHQYEVSSSLGYTSTRDVLENMMEPPQRDSSAPGRFHVGSAESMLHVRPGGYTPQRALINPFAPSRMPMKLTSNRRRWMHTFPVGPSGEAIQIHHQTRQNMAELQGSGQRDPTHSSAELLELAYHEAAGRHSNSRQPGDGMSFLNFSGTEELSVGLLSNSGAGMNPRTQNKDSLEDSVSTSPDPILTLSAPPVVPGFCCTVGVDWKSLTTPACLPLTTDYFPDRQGLQNDYTEGCADLLPEADIDRRDEDGVQMTAQQVFEEFICQRLMQGYQIIVQPKTQKPNPAVPPPLSSSPLYSRGLVSRNRPEEEDQYWLSMGRTFHKVTLKDKMITVTRYLPKYPYESAQIHYTYSLCPSHSDSEFVSCWVEFSHERLEEYKWNYLDQYICSAGSEDFSLIESLKFWRTRFLLLPACVTATKRITEGEAHCDIYGDRPRADEDEWQLLDGFVRFVEGLNRIRRRHRSDRMMRKGTAMKGLQMTGPISTHSLESTAPPVGKKGTSALSALLEMEASQKCLGEQQAAVHGGKSSAQSAESSSVAMTPTYMDSPRKDGAFFMEFVRSPRTASSAFYPQVSVDQTATPMLDGTSLGICTGQSMDRGNSQTFGNSQNIGEQGYSSTNSSDSSSQQLVASSLTSSSTLTEILEAMKHPSTGVQLLSEQKGLSPYCFISAEVVHWLVNHVEGIQTQAMAIDIMQKMLEEQLITHASGEAWRTFIYGFYFYKIVTDKEPDRVAMQQPATTWHTAGVDDFASFQRKWFEVAFVAEELVHSEIPAFLLPWLPSRPASYASRHSSFSRSFGGRSQAAALLAATVPEQRTVTLDVDVNNRTDRLEWCSCYYHGNFSLNAAFEIKLHWMAVTAAVLFEMVQGWHRKATSCGFLLVPVLEGPFALPSYLYGDPLRAQLFIPLNISCLLKEGSEHLFDSFEPETYWDRMHLFQEAIAHRFGFVQDKYSASAFNFPAENKPQYIHVTGTVFLQLPYSKRKFSGQQRRRRNSTSSTNQNMFCEERVGYNWAYNTMLTKTWRSSATGDEKFADRLLKDFTDFCINRDNRLVTFWTSCLEKMHASAP"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MGSGCRIECIFFSEFHPTLGPKITYQVPEDFISRELFDTVQVYIITKPELQNKLITVTAMEKKLIGCPVCIEHKKYSRNALLFNLGFVCDAQAKTCALEPIVKKLAGYLTTLELESSFVSMEESKQKLVPIMTILLEELNASGRCTLPIDESNTIHLKVIEQRPDPPVAQEYDVPVFTKDKEDFFNSQWDLTTQQILPYIDGFRHIQKISAEADVELNLVRIAIQNLLYYGVVTLVSILQYSNVYCPTPKVQDLVDDKSLQEACLSYVTKQGHKRASLRDVFQLYCSLSPGTTVRDLIGRHPQQLQHVDERKLIQFGLMKNLIRRLQKYPVRVTREEQSHPARLYTGCHSYDEICCKTGMSYHELDERLENDPNIIICWK"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MRDNTSPISVILVSSGSRGNKLLFRYPFQRSQEHPASQTSKPRSRYAASNTGDHADEQDGDSRFSDVILATILATKSEMCGQKFELKIDNVRFVGHPTLLQHALGQISKTDPSPKREAPTMILFNVVFALRANADPSVINCLHNLSRRIATVLQHEERRCQYLTREAKLILALQDEVSAMADGNEGPQSPFHHILPKCKLARDLKEAYDSLCTSGVVRLHINSWLEVSFCLPHKIHYAASSLIPPEAIERSLKAIRPYHALLLLSDEKSLLGELPIDCSPALVRVIKTTSAVKNLQQLAQDADLALLQVFQLAAHLVYWGKAIIIYPLCENNVYMLSPNASVCLYSPLAEQFSHQFPSHDLPSVLAKFSLPVSLSEFRNPLAPAVQETQLIQMVVWMLQRRLLIQLHTYVCLMASPSEEEPRPREDDVPFTARVGGRSLSTPNALSFGSPTSSDDMTLTSPSMDNSSAELLPSGDSPLNQRMTENLLASLSEHERAAILSVPAAQNPEDLRMFARLLHYFRGRHHLEEIMYNENTRRSQLLMLFDKFRSVLVVTTHEDPVIAVFQALLP"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "sequence": "MPNTAMKKKVLLMGKSGSGKTSMRSIIFANYIARDTRRLGATIDVEHSHVRFLGNLVLNLWDCGGQDTFMENYFTSQRDNIFRNVEVLIYVFDVESRELEKDMHYYQSCLEAILQNSPDAKIFCLVHKMDLVQEDQRDLIFKEREEDLRRLSRPLECACFRTSIWDETLYKAWSSIVYQLIPNVQQLEMNLRNFAQIIEADEVLLFERATFLVISHYQCKEQRDVHRFEKISNIIKQFKLSCSKLAASFQSMEVRNSNFAAFIDIFTSNTYVMVVMSDPSIPSAATLINIRNARKHFEKLERVDGPKHSLLMR"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "sequence": "MSLQYGAEETPLAGSYGAADSFPKDFGYGVEEEEEEAAAAGGGVGAGAGGGCGPGGADSSKPRILLMGLRRSGKSSIQKVVFHKMSPNETLALESTNKIYKDDISNSSFVNFQIWDFPGQMDFFDPTFDYEMIFRGTGALIYVIDAQDDYMEALTRLHITVSKAYKVNPDMNFEVFIHKVDGLSDDHKIETQRDIHQRANDDLADAGLEKLHLSFYLTSIYDHSIFEAFSKVVQKLIPQLPTLENLLNIFISNSGIEKAFLFDVVSKIYIATDSSPVDMQSYELCCDMIDVVIDVSCIYGLKEDGSGSAYDKESMAIIKLNNTTVLYLKEVTKFLALVCILREESFERKGLIDYNFHCFRKAIHEVFEVGVTSHRSCGHQTSASSLKALTHNGTPRNAI"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MGCCYSSENEDSDQDREERKLLLDPSSPPTKALNGAEPNYHSLPSARTDEQALLSSILAKTASNIIDVSAADSQGMEQHEYMDRARQYSTRLAVLSSSLTHWKKLPPLPSLTSQPHQVLASEPIPFSDLQQVSRIAAYAYSALSQIRVDAKEELVVQFGIP"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MLRPKALTQVLSQANTGGVQSTLLLNNEGSLLAYSGYGDTDARVTAAIASNIWAAYDRNGNQAFNEDNLKFILMDCMEGRVAITRVANLLLCMYAKETVGFGMLKAKAQALVQYLEEPLTQVAAS"
+  },
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "sequence": "MADDLKRFLYKKLPSVEGLHAIVVSDRDGVPVIKVANDNAPEHALRPGFLSTFALATDQGSKLGLSKNKSIICYYNTYQVVQFNRLPLVVSFIASSSANTGLIVSLEKELAPLFEELRQVVEVS"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MTSALTQGLERIPDQLGYLVLSEGAVLASSGDLENDEQAASAISELVSTACGFRLHRGMNVPFKRLSVVFGEHTLLVTVSGQRVFVVKRQNRGREPIDV"
+  },
+  "JDF": {
+    "name": "JDF",
+    "chain_names": [
+      "J"
+    ],
+    "start_res": 1,
+    "sequence": "MEATLEQHLEDTMKNPSIVGVLCTDSQGLNLGCRGTLSDEHAGVISVLAQQAAKLTSDPTDIPVVCLESDNGNIMIQKHDGITVAVHKMAS"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7UIC.json

@@ -0,0 +1,50 @@
+{
+  "bDF": {
+    "name": "bDF",
+    "chain_names": [
+      "b"
+    ],
+    "start_res": 1,
+    "sequence": "MVVQNSPVSSVHTANFSERGSNTRTMTYKNKLTVCFDDILKVGAEMMMQQQLKNVQLDSYLVNGFSQSQQKLLKEKVKLFHGILDDLETSLSQSSSYLETLTALGKEKEKEREEAEKKRAEQENMRKVREQEELKKRQELEEASQQQQLQQNSKEKNGLGLNFSTTAPANTTDANGSKENYQELGSLQSSSQTQLENANAANNGAAFSPLTTTRIQSQQAQPSDVMFNDLNSMDISMFSGLDSTGFDSTAFNATVDETKGFDDNDSGNNYNDINISSIENNINNNINSTKNGKDNNNESNKNNNGDEKNKNNNEDNENNNNSSEKNNNNNNNNNNNNDDNGNNNNNNSGNDNNNTTNNDSNNKNNSITTGNDNENIVNNDLPTTVVSNPGDNPPPADNGEEYLTLNDFNDLNIDWSTTGDNGELDLSGFNI"
+  },
+  "cDF": {
+    "name": "cDF",
+    "chain_names": [
+      "c"
+    ],
+    "start_res": 1,
+    "sequence": "MDSIIPAGVKLDDLQVILAKNENETRDKVCKQINEARDEILPLRLQFNEFIQIMANIDQEGSKQADRMAKYLHIRDKILQLNDRFQTLSSHLEALQPLFSTVPEYLKTADNRDRSFQLLEPLSTYNKNGNAVCSTATVVSTNHSAAASTPTTTATPHANPITHAHSLSNPNSTATMQHNPLAGKRGPKSGSTMGTPTVHNSTAAAPIAAPKKPRKPRQTKKAKAQAQAQAQAQAQVYAQQSTVQTPITASMAAALPNPTPSMINSVSPTNVMGTPLTNMMSPMGNAYSMGAQNQGGQVSMSQFNGSGNGSNPNTNTNSNNTPLQSQLNLNNLTPANILNMSMNNDFQQQQQQQQQQQQPQPQYNMNMGMNNMNNGGKELDSLDLNNLELGGLNMDFL"
+  },
+  "eDF": {
+    "name": "eDF",
+    "chain_names": [
+      "e"
+    ],
+    "start_res": 1,
+    "sequence": "MEKESVYNLALKCAERQLTSMEFSNLYKEFFNEKFPSLIQEEEEDTTTTANINEVKKASDLVDTPSNNTAATADTTHLHEALDIVCSDFVKILNLEKPLILADYIVEVLLVNYNSDMIKCFLPKLNSVRNSLLLAHFFSKSCSFFAKLSDTLIIDQVRKDLGNVIVPNILSLDMNSMNKELIAIVSKLLQTTLKLSPSPILLTSAGCKNGSFTLLNQLSQTNKLLFKRVSQTFEAKLHFKDTKPFLNKDSTNEFVGSPSLTSPQYIPSPLSSTKPPGSVNSAAKYKDMKLLRYYKNIWLNNKIINWEISNPDFLSKYSAITSSIFQESFNSVQNLDQLLTDLIETSFTCFAQFVSNKQYHQANSNLTLLERKWVIFITKHLPLLILENSSRSPRVVTNALDNIDEKVVKAIRIYFTEKDDNKTNNEDLFDDYPSTSLDIRHDFIKGLIMLNLQPASVINNYLREDQMIDTSILPTRDDLFVRNLQGIQEVVHNTNSFIISSLDTLELESITESITHDSSNGLFQVLHNFESVAPTKQREIVKAFLSIFEDAIKELNYNRIAKICALLFFNFSHSLTTILSFSSPAALMKTLIKFVDLSRNGRNGSNGNDESSEYETINISLSFSWAILLIINLTQTYGISVVDVALKYPELSIKNSFIINFISNLPNVSDKYYLEESNVNDSDMLTKSHNTVQSWLCDLFVNGSITDQLIQNIETRQLANLIPFIVKQVLLSVEIGVLTDISSLIGGFEYFLQPLLLVGLIKTFYWLEQFLSCVKNDTISEDILQGIFNLLNTLFNPVTLNEDSKAFHTAVLRLNAIPLLKVLRKFRVQSQSNYGIYSSDAQGDPNLEPLIAKLVAVLNVSPVYDVDPRIINSENDYSRKQLGYGKFLILNENPINKIMTNQINSFWSLHSSTYYNLDYLFELIELVTPKSFLFDVLKTLEYKLATYGVPGSENKRGSLDSEHVFDYFFYFLVLYDVKTAEEASQLIEYMENDAKKSKGDVDIKGEDLHEKNDSAEVRQETQPKAEATQDDDFDMLFGENDTSTQAYEEEEENEDNDGNNRTNNVPMIKAEETPSKTNKISILKRHSFAVLLHERKLLNDLALENGEITKTENEKFISYHDKYLCMLKTCVF"
+  },
+  "nDF": {
+    "name": "nDF",
+    "chain_names": [
+      "n"
+    ],
+    "start_res": 1,
+    "sequence": "MTTTIGSPQMLANEERLSNEMHALKNRSEQNGQEQQGPVKNTQLHGPSATDPETTATQKESLEMVPKDTSAATMTSAPPPALPHVEINQVSLALVIRNLTVFTMKELAQYMKTNVHTQANEPNSAKKIRFLQLIIFLRTQFLKLYVLVKWTRTIKQNNFHVLIDLLNWFRTTNMNVNNCIWALKSSLNSMTNAKLPNVDLVTALEVLSLGRPNLPTHNFKLSGVSNSMDMVDGMAKVPIGLILQRLKDLNLTVSIKIALMNIPKPLNSYHIKNGRIYFTVPNEFEIQLSTVNRQSPLFFVDLKLLFNTEAEQTVSAVTEATSTNGDSENNEENSSSNGNNLPLNKPRLEKLINEILLKSNDPLLSLYNFLHKYVLTLQLYMVHREFLKLANGGKFSKSNLIHNYDSKKSTITVRYWLNGKMDSKGKITIGIQRTTESLILKWDNQSASRAKNMPVIYNNIVSNIEGILDEIMFNHARIIRSELLARDIFQEDEENSDVLLFQLPTTCVSMAPIQLKIDLLSGQFYFRNPTPLLSNYASKINRAEGPEELARILQQLKLDKIIHVLTTMFENTGWSCSRIIKIDKPIRTQVNTGGESVVKKEDNKYAIAGNSTTNSDVSLLLQRDLFIRLPHWPLNWYLILSIISSKTSCVVEKRIGKIVSQRGKWNLKYLDNSNVMTVKLESITYQKIMILQRTILNRIINHMLIDSLNQLEIRNKICSSEMINEQKLPQYIIQGSNTNDNISIITLELESFLEGSKALNSILESSMFLRIDYSNSQIRLYAKFKRNTMMIQCQIDKLYIHFVQEEPLAFYLEESFTNLGIIVQYLTKFRQKLMQLVVLTDVVERLHKNFESENFKIIALQPNEISFKYLSNNDEDDKDCTIKISTNDDSIKNLTVQLSPSNPQHIIQPFLDNSKMDYHFIFSYLQFTSSLFKALKVILNERGGKFHESGSQYSTMVNIGLHNLNEYQIVYYNPQAGTKITICIELKTVLHNGRDKIQFHIHFADVAHITTKSPAYPMMHQVRNQVFMLDTKRLGTPESVKPANASHAIRLGNGVACDPSEIEPILMEIHNILKVDSNSSSS"
+  },
+  "oDF": {
+    "name": "oDF",
+    "chain_names": [
+      "o"
+    ],
+    "start_res": 1,
+    "sequence": "MSAAPVQDKDTLSNAERAKNVNGLLQVLMDINTLNGGSSDTADKIRIHAKNFEAALFAKSSSKKEYMDSMNEKVAVMRNTYNTRKNAVTAAAANNNIKPVEQHHINNLKNSGNSANNMNVNMNLNPQMFLNQQAQARQQVAQQLRNQQQQQQQQQQQQRRQLTPQQQQLVNQMKVAPIPKQLLQRIPNIPPNINTWQQVTALAQQKLLTPQDMEAAKEVYKIHQQLLFKARLQQQQAQAQAQANNNNNGLPQNGNINNNINIPQQQQMQPPNSSANNNPLQQQSSQNTVPNVLNQINQIFSPEEQRSLLQEAIETCKNFEKTQLGSTMTEPVKQSFIRKYINQKALRKIQALRDVKNNNNANNNGSNLQRAQNVPMNIIQQQQQQNTNNNDTIATSATPNAAAFSQQQNASSKLYQMQQQQQAQAQAQAQAQAQAQAQAQAQAAQAAQAQAQAQAQAQAQAQAQAQAQAQAQAQAQAQAQAHAQHQPSQQPQQAQQQPNPLHGLTPTAKDVEVIKQLSLDASKTNLRLTDVTNSLSNEEKEKIKMKLKQGQKLFVQVSNFAPQVYIITKNENFLKEVFQLRIFVKEILEKCAEGIFVVKLDTVDRLIIKYQKYWESMRIQILRRQAILRQQQQMANNNGNPGTTSTGNNNNIATQQNMQQSLQQMQHLQQLKMQQQQQQQQQQQQQQQQQQQQQQQHIYPSSTPGVANYSAMANAPGNNIPYMNHKNTSSMDFLNSMENTPKVPVSAAATPSLNKTINGKVNGRTKSNTIPVTSIPSTNKKLSISNAASQQPTPRSASNTAKSTPNTNPSPLKTQTKNGTPNPNNMKTVQSPMGAQPSYNSAIIENAFRKEELLLKDLEIRKLEISSRFKHRQEIFKDSPMDLFMSTLGDCLGIKDEEMLTSCTIPKAVVDHINGSGKRKPTKAAQRARDQDSIDISIKDNKLVMKSKFNKSNRSYSIALSNVAAIFKGIGGNFKDLSTLVHSSSPSTSSNMDVGNPRKRKASVLEISPQDSIASVLSPDSNIMSDSKKIKVDSPDDPFMTKSGATTSEKQEVTNEAPFLTSGTSSEQFNVWDWNNWTSAT"
+  },
+  "pDF": {
+    "name": "pDF",
+    "chain_names": [
+      "p"
+    ],
+    "start_res": 1,
+    "sequence": "MMLGEHLMSWSKTGIIAYSDSQSSNANICLTFLESINGINWRFHTPQKYVLHPQLHEVQYQESSSTLSTHSTTTSVNGSTTAGVGSTPNFGGNSNKSPPQFFYNISSIHWNNWFSLPGDMLAVCDELGNMTMLITGQRPDRATTYEKLTMVFQDNVYKIYNHVMPLKPVDKLKPMNIERKQTRKEYNTSILEFRWLTSSKSVIVSQFCAFDSSSNTYRSRAQQVPPYGVYHPPFIKYACLAIRKNGQIDFWYQFSNSKDHKKITLQLLDTSNQRFKDLQWLEFARITPMNDDQCMLITTYSKLSKNISFYKLHVNWNLNATKPNVLNDPSLKIQFILSTTLDPTDDEGHVLKLENLHVVSKSSIEKDPSPEILVLYNVCDTSKSLVKRYRLAPTQLSAEYLVILKPDLNIDRNNSTNQIFQSRRYNLRRHSDIVLDKKVTLITSEMFDAFVSFYFEDGTIESYNQNDWKLETERLISQSQLGKFKNIIASPLSAGFNYGKLPLPPSVEWMKVSPSMCGVIVKQYNKKWPQFYAAVQKNYADPEKDSINATALAFGYVKSLHKQISAEDLTIAAKTHILRISFLDRKRAKEFITTLLKSLYSFFNISPDAPKEIMDKIITSRPLQKIMLLQLELGSCFSQENIEEMARVILYLKNVLFAFNGVARNFHFAIEQISNNSNQQQNPKLFQTIFSKQDLIHSLIPVAKWFVKFITYLTQEILILINDPTNKEYTLVHGIFGAKMSRTLILSILNEIKKVTQIVAKFPETSYPILNESSTFLKLVLSESPVDFEKFETFLVDVNNKFIALCEQQPSQEREFSLLVKAEIPPEYAKVGDFLLQYANNAVISHANAAAVYFADTSGLKISNSEFFNPEIFHLLQPLEEGLIIDTDKLPIKNRTSKSFSKLLYDDVTCDKLSVSEISDGKLKRCSRCGSVTRAGNIISSDKTIVPTSIQTKRWPTMYTRLCICSGMLFEMDG"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7USE.json

@@ -0,0 +1,58 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MAAQVTLEDALSNVDLLEELPLPDQQPCIEPPPSSLLYQPNFNTNFEDRNAFVTGIARYIEQATVHSSMNEMLEEGQEYAVMLYTWRSCSRAIPQVKCNEQPNRVEIYEKTVEVLEPEVTKLMNFMYFQRNAIERFCGEVRRLCHAERRKDFVSEAYLITLGKFINMFAVLDELKNMKCSVKNDHSAYKRAAQFLRKMADPQSIQESQNLSMFLANHNKITQSLQQQLEVISGYEELLADIVNLCVDYYENRMYLTPSEKHMLLKVMGFGLYLMDGSVSNIYKLDAKKRINLSKIDKYFKQLQVVPLFGDMQIELARYIKTSAHYEENKSRWTCTSSGSSPQYNICEQMIQIREDHMRFISELARYSNSEVVTGSGRQEAQKTDAEYRKLFDLALQGLQLLSQWSAHVMEVYSWKLVHPTDKYSNKDCPDSAEEYERATRYNYTSEEKFALVEVIAMIKGLQVLMGRMESVFNHAIRHTVYAALQDFSQVTLREPLRQAIKKKKNVIQSVLQAIRKTVCDWETGHEPFNDPALRGEKDPKSGFDIKVPRRAVGPSSTQLYMVRTMLESLIADKSGSKKTLRSSLEGPTILDIEKFHRESFFYTHLINFSETLQQCCDLSQLWFREFFLELTMGRRIQFPIEMSMPWILTDHILETKEASMMEYVLYSLDLYNDSAHYALTRFNKQFLYDEIEAEVNLCFDQFVYKLADQIFAYYKVMAGSLLLDKRLRSECKNQGATIHLPPSNRYETLLKQRHVQLLGRSIDLNRLITQRVSAAMYKSLELAIGRFESEDLTSIVELDGLLEINRMTHKLLSRYLTLDGFDAMFREANHNVSAPYGRITLHVFWELNYDFLPNYCYNGSTNRFVRTVLPFSQEFQRDKQPNAQPQYLHGSKALNLAYSSIYGSYRNFVGPPHFQVICRLLGYQGIAVVMEELLKVVKSLLQGTILQYVKTLMEVMPKICRLPRHEYGSPGILEFFHHQLKDIVEYAELKTVCFQNLREVGNAILFCLLIEQSLSLEEVCDLLHAAPFQNILPRVHVKEGERLDAKMKRLESKYAPLHLVPLIERLGTPQQIAIAREGDLLTKERLCCGLSMFEVILTRIRSFLDDPIWRGPLPSNGVMHVDECVEFHRLWSAMQFVYCIPVGTHEFTVEQCFGDGLHWAGCMIIVLLGQQRRFAVLDFCYHLLKVQKHDGKDEIIKNVPLKKMVERIRKFQILNDEIITILDKYLKSGDGEGTPVEHVRCFQPPIHQSLASS"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MSRSVLQPSQQKLAEKLTILNDRGVGMLTRLYNIKKACGDPKAKPSYLIDKNLESAVKFIVRKFPAVETRNNNQQLAQLQKEKSEILKNLALYYFTFVDVMEFKDHVCELLNTIDVCQVFFDITVNFDLTKNYLDLIITYTTLMILLSRIEERKAIIGLYNYAHEMTHGASDREYPRLGQMIVDYENPLKKMMEEFVPHSKSLSDALISLQMVYPRRNLSADQWRNAQLLSLISAPSTMLNPAQSDTMPCEYLSLDAMEKWIIFGFILCHGILNTDATALNLWKLALQSSSCLSLFRDEVFHIHKAAEDLFVNIRGYNKRINDIRECKEAAVSHAGSMHRERRKFLRSALKELATVLSDQPGLLGPKALFVFMALSFARDEIIWLLRHADNMPKKSADDFIDKHIAELIFYMEELRAHVRKYGPVMQRYYVQYLSGFDAVVLNELVQNLSVCPEDESIIMSSFVNTMTSLSVKQVEDGEVFDFRGMRLDWFRLQAYTSVSKASLGLADHRELGKMMNTIIFHTKMVDSLVEMLVETSDLSIFCFYSRAFEKMFQQCLELPSQSRYSIAFPLLCTHFMSCTHELCPEERHHIGDRSLSLCNMFLDEMAKQARNLITDICTEQCTLSDQLLPKHCAKTISQAVNKKSKKQTGKKGEPEREKPGVESMRKNRLVVTNLDKLHTALSELCFSINYVPNMVVWEHTFTPREYLTSHLEIRFTKSIVGMTMYNQATQEIAKPSELLTSVRAYMTVLQSIENYVQIDITRVFNNVLLQQTQHLDSHGEPTITSLYTNWYLETLLRQVSNGHIAYFPAMKAFVNLPTENELTFNAEEYSDISEMRSLSELLGPYGMKFLSESLMWHISSQVAELKKLVVENVDVLTQMRTSFDKPDQMAALFKRLSSVDSVLKRMTIIGVILSFRSLAQEALRDVLSYHIPFLVSSIEDFKDHIPRETDMKVAMNVYELSSAAGLPCEIDPALVVALSSQKSENISPEEEYKIACLLMVFVAVSLPTLASNVMSQYSPAIEGHCNNIHCLAKAINQIAAALFTIHKGSIEDRLKEFLALASSSLLKIGQETDKTTTRNRESVYLLLDMIVQESPFLTMDLLESCFPYVLLRNAYHAVYKQSVTSSA"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MPLVKRNIDPRHLCHTALPRGIKNELECVTNISLANIIRQLSSLSKYAEDIFGELFNEAHSFSFRVNSLQERVDRLSVSVTQLDPKEEELSLQDITMRKAFRSSTIQDQQLFDRKTLPIPLQETYDVCEQPPPLNILTPYRDDGKEGLKFYTNPSYFFDLWKEKMLQDTEDKRKEKRKQKQKNLDRPHEPEKVPRAPHDRRREWQKLAQGPELAEDDANLLHKHIEVANGGGSGGSGGSGGSGGSGGSKRHPSTLPVISDARSVLLEAIRKGIQLRKVEEQREQEAKHERIENDVATILSRRIAVEYSDSEDDSEFDEVDWLE"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "sequence": "MAGQEDPVQREIHQDWANREYIEIITSSIKKIADFLNSFDMSCRSRLATLNEKLTALERRIEYIEARVTKGETLT"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "sequence": "MAELQMLLEEEIPGGRRALFDSYTNLERVADYCENNYIQSADKQRALEETKAYTTQSLASVAYLINTLANNVLQMLDIQASQLRRMESSINHISQTVDIHKEKVARREIGILTTNKNTSRTHKIIAPANLERPVRYIRKPIDYTILDDIGHGVKVSTQ"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MQAIKCVVVGDGAVGKTCLLISYTTNAFSGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVLCPPPVKKRKRK"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MQAIKCVVVGDGAVGKTCLLISYTTNAFSGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGLEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVLCPPPVKKRKRK"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7WFF.json

@@ -0,0 +1,138 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MIIYATAVQTINSFVKLESLKEVYGLIWIFVPIFSLVLGIITGVLVIVWLEREISAGIQQRIGPEYAGPLGILQALADGTKLLFKENLRPSRGNTPLFSIGPSIAVISILLSYSVIPFSNHLVLADLNIGIFLWIAISSIAPIGLLMSGYGSNNKYSFLGGLRAAAQSISYEIPLTLCVLSISLLSNSLSTVDIVEAQSKYGFWGWNLWRQPIGFIIFLISSLAECERLPFDLPEAEEELIAGYQTEYSGIKFGLFYVASYLNLLISSLFVTVLYLGGWNISIPYISILELFQRDQIFGTTIGIFITLAKTYLFLFVSIATRWTLPRLRMDQLLNLGWKFLLPISLGNLLLTTSFQLFSL"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MIWHVQNENFILDSTRIFMKAFHLLLFDGSFIFPECILIFGLILLLMIDSTSDQKDIPWLYFISSTSFVMSITALLFRWREEPMISFSGNFQTNNFNEIFQFLILLCSTLCIPLSVEYIECTEMAITEFLLFILTATLGGMFLCGANDLITIFVAPECFSLCSYLLSGYTKKDIRSNEATMKYLLMGGASSSILVHGFSWLYGSSGGEIELQEIVNGLINTQMYNSPGISIALIFITVGIGFKLSLAPSHQWTPDVYEDSPTPVVAFLSVTSKVAASASATRIFDIPFYFSSNEWHLLLEILAILSMIFGNLIAITQTSMKRMLAYSSIGQIGYVIIGIIVGDSNGGYASMITYMLFYIAMNLGTFACIILFGLRTGTDNIRDYAGLYTKDPFLALSLALCLLSLGGLPPLAGFFGKLHLFWCGWQAGLYFLVSIGLLTSVLSIYYYLKIIKLLMTGRNQEITPHMRNYRISPLRSNNSIELSMIVCVIASTIPGISMNPIIAIAQDTLFSF"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MFLLYEYDIFWAFLLISSAIPVLAFLISGVLSPIRKGPEKLSSYESGIEPIGDAWLQFRIRYYMFALVFVVFDVETVFLYPWAMSFDVLGVSAFIEAFIFVLILILGLVYAWRKGALEWS"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "sequence": "MYLVFTTNDFPWLTIIVVFPISAGSLMLFLPHRGNKVNKWYTICICILELLLTTYAFCYNFKMDDPLIQLSEDYKWIDFFDFYWRMGIDGLSIGTILLTGFITTLATLAAFPVTRDSRFFHFLMLAMYSGQIGSFSSRDLLLFFIMWELELIPVYLLLSMWGGKKRLYSATKFILYTAGSSIFLLIGVLGISLYGSNEPTLNLELLANKSYPVTLEILFYIGFLIAFAVKSPIIPLHTWLPDTHGEAHYSTCMLLAGILLKMGAYGLVRINMELLPHAHSMFSPWLLVVGTIQIIYAASTSPGQRNLKKRIAYSSVSHMGFIIIGISSITDPGLNGAILQIISHGFIGAALFFLAGTSYDRIRLVYLDEMGGMAISIPKIFTMFTILSMASLALPGMSGFIAEFIVFFGIITSQKYFLISKIFIIFVMAIGMILTPIYLLSMLRQMFYGYKLINIKNFSFFDSGPRELFLSISILLPIIGIGIYPDFVLSLASDKVESILSNYFYG"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "sequence": "MILEHVLVLSAYLFLIGLYGLITSRNMVRALMCLELILNAVNMNFVTFSDFFDNSQLKGEIFCIFVIAIAAAEAAIGLAIVSSIYRNRKSIRINQSTLLNK"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MEHTYQYSWIIPFIPLPVPILLGVGLLLFPTATKNLRRMWTFLSIFLLSIVMIFSIYLSIQQIFLSCIHQNVWSWTINNEFSFEFGYFIDPLTSIMSILITTVGILVLIYSDNYMSHDQGYLRFFAYMGFFNTSMLGLVTSSNLIQVYFFWELVGMCSYLLIGFWFTRPIAANACQKAFVTNRVGDFGLLLGILGLYWITGSFEFQDLFEIFNNLILNNRVNLLFLTLCAFLLFVGPIAKSAQFPLHVWLPDAMEGPTPISALIHAATMVAAGIFLVARLLPLFIVIPSIMYIISLIGIITVLLGATLALAQKDIKRGLAYSTMSQLGYMMLALGMGSYRSALFHLITHAYSKALLFLGSGSIIHSMEAIVGYSPDKSQNMILMGGLTKHVPITKTAFLIGTLSLCGIPPLACFWSKDEILNDSLLFSPIFAIIACSTAGLTAFYMFRIYLLTFEGHLNTYFLNYSGKKSGSFYSLSLWGKEEEKKLNKNFGLVPLLTMNNTKRASFFCNKTYKISNNVRNQIFITVENFGLNTRTFYYPHESDNTILFPMLILVLFTLFIGAIGIPFNQEGIDFDILSKFFTPSINLLHKNSQNFVDWYEFLRNATFSVSIAFFGIFIAYCLYKPFYSSLLNLTLLNSFQKWNSKRIHWEKLINFVYNWSYNRGYIDSFFKTSLIESIRRLAKQTTFFDKRIIDGITNGVGITSFFVGEVTKYIGGSRISSYLFLYLSYVLIFLMILFFFYFEKF"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MDLPGPIHDFLLVFLGSGLLVGGLGVVLLPNPIFSAFSLGFVLVCISLLYILSNSHFVAAAQLLIYVGAINVLIIFAVMFMNDSEYSTDFNLWTIGNGITSLVCTTILFLLMSTILDTSWYGVIWTTKLNQILEQDLISNSQQIGIHLSTDFFLPFELISIILLVALIGAISVARQ"
+  },
+  "aDF": {
+    "name": "aDF",
+    "chain_names": [
+      "a"
+    ],
+    "start_res": 1,
+    "sequence": "MASSLPLLPKPISPFFKTPPFSTSKPLVFLNFQTRLTSRSSDVSVNLKKKNNPWLDPFDSGEDPDNEYGSLFADGKQDEDPRPPDNPDNPYGFLKFPKGYTVELASLPLKIRGDVRRCCCVISGGVYENLLFFPTIQLIKDRYPGVQVDILTTERGKQTYELNKNVRWANVYDPDDHWPEPAEYTDMIGLLKGRYYDMVLSTKLAGLGHAAFLFMTTARDRVSYIYPNVNSAGAGLMLSETFTAENTNLSELGYSMYTQMEDWLGRPFRSVPRTPLLPLRVSISRKVKEVVAAKYRNAGAVTGKFIVIHGIESDSKASMQSKGDADSLLSLEKWAKIIKGVRGFKPVFVIPHEKERENVEDFVGDDTSIVFITTPGQLAALINDSAGVIATNTAAIQLANARDKPCIGLFSSEEKGKLFVPYAEEKSNCVIIASKTGKLADIDIGTVKNAMQVFEGSLALV"
+  },
+  "bDF": {
+    "name": "bDF",
+    "chain_names": [
+      "b"
+    ],
+    "start_res": 1,
+    "sequence": "MASLISFSLLPKPKAVRSSISAPQTQTINTEKLEDKFGRKGIKFSESNNIPMVELKVRNGSSLKLSLSDAHVLSYKPKVYWKDEGFEEVLYTVDGDESRGGVGVVIVNGEEPKGGSSVISGCDWSVKDTDSDAIDALQIELSCTAGVLDITYIVSLYPVSMATALVVKNNGRKPVTLKPGIMSYLRFKKRSGAGIQGLKGCSYCPNPPLSSPFELLSPSEAMKAESSGWFGSEEGEKPGIWAVEDSVITLLEKKMSRIYGAPPAERLKAVYNTPPSKFETIDQGRGLFFRMIRIGFEEMYVGSPGSMWDKYGKQHYFVCTGPTSMLVPVDVASGETWRGAMVIEHDNL"
+  },
+  "cDF": {
+    "name": "cDF",
+    "chain_names": [
+      "c"
+    ],
+    "start_res": 1,
+    "sequence": "MGSVQLSGSGLVASLPPNHSFSHKTKLNKPNSYFFRSKHNAARTKTVRAISTAPASQPPAADEPDEPPAVDFAFVHSVLLPDGTPDVHWRRANGGQKLRDIMLDSNIELYGPYSKPLSNCAGVGTCATCMVEIVNGKELLNPRTDIEKEKLKRKPKNWRLACQTNVGNPDSTGLVVIQQLPEWKAHEWNIPKNIPNDDDLETST"
+  },
+  "dDF": {
+    "name": "dDF",
+    "chain_names": [
+      "d"
+    ],
+    "start_res": 1,
+    "sequence": "MAEAFTSFTFTNLHIPSSYNHSPKQNSGPNHGYWLSNVNEKRERNLMRGSLCVRKALPHDLPLMAVMVQQIEGMRDIITEKHVWHLSDKAIKNVYMFYIMFTCWGCLYFGSAKDPFYDSEEYRGDGGDGTGYWVYETVCISPFLILLGKKEKNLEMHTNYN"
+  },
+  "eDF": {
+    "name": "eDF",
+    "chain_names": [
+      "e"
+    ],
+    "start_res": 1,
+    "sequence": "MATVTILSPKSIPKVTDSKFGARVSDQIVNVVKCGKSGRRLKLAKLVSAAGLSQIEPDINEDPIGQFETNSIEMEDFKYGYYDGAHTYYEGEVQKGTFWGAIADDIAAVDQTNGFQGLISCMFLPAIALGMYFDAPGEYLFIGAALFTVVFCIIEMDKPDQPHNFEPQIYKLERGARDKLINDYNTMSIWDFNDKYGDVWDFTIEKDDIATR"
+  },
+  "fDF": {
+    "name": "fDF",
+    "chain_names": [
+      "f"
+    ],
+    "start_res": 1,
+    "sequence": "MAVSSLSIRCGGFSPTISHKTEILCPNPSLKACCLLSSGGKADSSESTYQKGSGNNWKRRQALVGVGTLVATSIPATLLLAEEIPKSYSPFVDREDGYSYYYPSDWREFDFRAHDSAFKDRYLQLQNVRVRFIPTEKNDIHEVGPMEEVVYDLVKHKFAAPNQVATIYDMKERVEDGKNYYTFEYGLRTPIYATTSFATVAVGNNRYYTLIVGANERRWRKVKKQLQVVADSLKILQI"
+  },
+  "gDF": {
+    "name": "gDF",
+    "chain_names": [
+      "g"
+    ],
+    "start_res": 1,
+    "sequence": "MSSFTTTNTPPPYLLRKIYHRRVNQPFSVVCCTGEPQQDIFTRRRTLTSLITFTVIGGATSSALAQEKWGTRSFIKEKYFMPGLSPEDAAARIKQTAEGLRDMREMLDHMSWRYVIFYIRLKQAYLSQDLTNAMNILPESRRNDYVQAANELVENMSELDFYVRTPKVYESYLYYEKTLKSIDNVVEFLA"
+  },
+  "hDF": {
+    "name": "hDF",
+    "chain_names": [
+      "h"
+    ],
+    "start_res": 1,
+    "sequence": "MAHFIDLNSLTNTLPSLPKLPESRKTGKSSGFACRRTEEFQEPDSVQITRRMTLGFAVSIGLTGILGENNVSLAQDNGFWIDGPLPIPPIYNNIVNEKTGTRTFIKKGVYVADIGTKGRMYRVKKNAFDLLAMEDLIGPDTLNYVKKYLRLKSTFLFYDFDNLISAAASEDKQPLTDLANRLFDNFEKLEDAAKTKNLAETESCYKDTKFLLQEVMTRMA"
+  },
+  "iDF": {
+    "name": "iDF",
+    "chain_names": [
+      "i"
+    ],
+    "start_res": 1,
+    "sequence": "MAISTLTLTQSLYTRSFRPTIFFSSSSSSSFSCLCSSSSDCEPKLSVKKRVFGVGLGFLASSILSLTPLDADATRIDYYATVGDPLCEYSYAKSGLGFCDLDVGFGDEAPRGVLVNIHYTARFADGTLFDSSYKRARPLTMRIGVGKVIRGLDQGILGGEGVPPMRVGGKRKLQIPPKLAYGPEPAGCFSGDCNIPGNATLLYDINFVEIYPGSNTR"
+  },
+  "jDF": {
+    "name": "jDF",
+    "chain_names": [
+      "j"
+    ],
+    "start_res": 1,
+    "sequence": "MATLSMTLSLSAPPRRLSPINTSAFTSTSFRLRTKSSFDSISFSSSTPFSASSLLLHTSYTKRNHRCFSVQSNAEVVTEPQSKITHKVYFDISVGNPVGKLAGRIVIGLYGDDVPQTVENFRALCTGEKGFGYKGSTFHRVIRDFMIQGGDFEKGNGTGGKSVYGRTFKDENFKLSHVGPGVLSMANAGPNTNGSQFFICTIKTSWLDGRHVVFGQVIEGMEVVKLIEEQETDRGDRPRKKVVIADCGQLPMSEA"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7XHO.json

@@ -0,0 +1,131 @@
+{
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C",
+      "c"
+    ],
+    "start_res": 1,
+    "sequence": "MAASGLDHLKNGYRRRFCRPSRARDINTEQGQNVLEILQDCFEEKSLANDFSTNSTKSVPNSTRKIKDTCIQSPSKECQKSHPKSVPVSSKKKEASLQFVVEPSEATNRSVQAHEVHQKILATDVSSKNTPDSKKISSRNINDHHSEADEEFYLSVGSPSVLLDAKTSVSQNVIPSSAQKRETYTFENSVNMLPSSTEVSVKTKKRLNFDDKVMLKKIEIDNKVSDEEDKTSEGQERKPSGSSQNRIRDSEYEIQRQAKKSFSTLFLETVKRKSESSPIVRHAATAPPHSCPPDDTKLIEDEFIIDESDQSFASRSWITIPRKAGSLKQRTISPAESTALLQGRKSREKHHNILPKTLANDKHSHKPHPVETSQPSDKTVLDTSYALIGETVNNYRSTKYEMYSKNAEKPSRSKRTIKQKQRRKFMAKPAEEQLDVGQSKDENIHTSHITQDEFQRNSDRNMEEHEEMGNDCVSKKQMPPVGSKKSSTRKDKEESKKKRFSSESKNKLVPEEVTSTVTKSRRISRRPSDWWVVKSEESPVYSNSSVRNELPMHHNSSRKSTKKTNQSSKNIRKKTIPLKRQKTATKGNQRVQKFLNAEGSGGIVGHDEISRCSLSEPLESDEADLAKKKNLDCSRSTRSSKNEDNIMTAQNVPLKPQTSGYTCNIPTESNLDSGEHKTSVLEESGPSRLNNNYLMSGKNDVDDEEVHGSSDDSKQSKVIPKNRIHHKLVLPSNTPNVRRTKRTRLKPLEYWRGERIDYQGRPSGGFVISGVLSPDTISSKRKAKENIGKVNKKSNKKRICLDNDERKTNLMVNLGIPLGDPLQPTRVKDPETREIILMDLVRPQDTYQFFVKHGELKVYKTLDTPFFSTGKLILGPQEEKGKQHVGQDILVFYVNFGDLLCTLHETPYILSTGDSFYVPSGNYYNIKNLRNEESVLLFTQIKR"
+  },
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "sequence": "MEEQPQMQDADEPADSGGEGRAGGPPQVAGAQAACSEDRMTLLLRLRAQTKQQLLEYKSMVDASEEKTPEQIMQEKQIEAKIEDLENEIEEVKVAFEIKKLALDRMRLSTALKKNLEKISRQSSVLMDNMKHLLELNKLIMKSQQESWDLEEKLLDIRKKRLQLKQASESKLLEIQTEKNKQKIDLDSMENSERIKIIRQNLQMEIKITTVIQHVFQNLILGSKVNWAEDPALKEIVLQLEKNVDMM"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MSPQKRVKNVQAQNRTSQGSSSFQTTLSAWKVKQDPSNSKNISKHGQNNPVGDYEHADDQAEEDALQMAVGYFEKGPIKASQNKDKTLEKHLKTVENVAWKNGLASEEIDILLNIALSGKFGNAVNTRILKCMIPATVISEDSVVKAVSWLCVGKCSGSTKVLFYRWLVAMFDFIDRKEQINLLYGFFFASLQDDALCPYVCHLLYLLTKKENVKPFRVRKLLDLQAKMGMQPHLQALLSLYKFFAPALISVSLPVRKKIYFKNSENLWKTALLAVKQRNRGPSPEPLKLMLGPANVRPLKRKWNSLSVIPVLNSSSYTKECGKKEMSLSDCLNRSGSFPLEQLQSFPQLLQNIHCLELPSQMGSVLNNSLLLHYINCVRDEPVLLRFYYWLSQTLQEECIWYKVNNYEHGKEFTNFLDTIIRAECFLQEGFYSCEAFLYKSLPLWDGLCCRSQFLQLVSWIPFSSFSEVKPLLFDHLAQLFFTSTIYFKCSVLQSLKELLQNWLLWLSMDIHMKPVTNSPLETTLGGSMNSVSKLIHYVGWLSTTAMRLESNNTFLLHFILDFYEKVCDIYINYNLPLVVLFPPGIFYSALLSLDTSILNQLCFIMHRYRKNLTAAKKNELVQKTKSEFNFSSKTYQEFNHYLTSMVGCLWTSKPFGKGIYIDPEILEKTGVAEYKNSLNVVHHPSFLSYAVSFLLQESPEERTVNVSSIRGKKWSWYLDYLFSQGLQGLKLFIRSSVHHSSIPRAEGINCNNQY"
+  },
+  "KDF": {
+    "name": "KDF",
+    "chain_names": [
+      "K"
+    ],
+    "start_res": 1,
+    "sequence": "MNQEDLDPDSTTDVGDVTNTEEELIRECEEMWKDMEECQNKLSLIGTETLTDSNAQLSLLIMQVKCLTAELSQWQKKTPETIPLTEDVLITLGKEEFQKLRQDLEMVLSTKESKNEKLKEDLEREQRWLDEQQQIMESLNVLHSELKNKVETFSESRIFNELKTKMLNIKEYKEKLLSTLGEFLEDHFPLPDRSVKKKKKNIQESSVNLITLHEMLEILINRLFDVPHDPYVKISDSFWPPYVELLLRNGIALRHPEDPTRIRLEAFHQ"
+  },
+  "LDF": {
+    "name": "LDF",
+    "chain_names": [
+      "L"
+    ],
+    "start_res": 1,
+    "sequence": "MDSYSAPESTPSASSRPEDYFIGATPLQKRLESVRKQSSFILTPPRRKIPQCSQLQEDVDPQKVAFLLHKQWTLYSLTPLYKFSYSNLKEYSRLLNAFIVAEKQKGLAVEVGEDFDIKVIFSTLLGMKGTQRDPEAFLVQIVSKSQLPSENREGKVLWTGWFCCVFGDSLLETVSEDFTCLPLFLANGAESNTAIIGTWFQKTFDCYFSPLAINAFNLSWMAAMWTACKMDHYVATTEFLWSVPCSPQSLDISFAIHPEDAKALWDSVHKTPGEVTQEEVDLFMDCLYSHFHRHFKIHLSATRLVRVSTSVASAHTDGKIKILCHKYLIGVLAYLTELAIFQIE"
+  },
+  "MDF": {
+    "name": "MDF",
+    "chain_names": [
+      "M"
+    ],
+    "start_res": 1,
+    "sequence": "MSVLRPLDKLPGLNTATILLVGTEDALLQQLADSMLKEDCASELKVHLAKSLPLPSSVNRPRIDLIVFVVNLHSKYSLQNTEESLRHVDASFFLGKVCFLATGAGRESHCSIHRHTVVKLAHTYQSPLLYCDLEVEGFRATMAQRLVRVLQICAGHVPGVSALNLLSLLRSSEGPSLEDL"
+  },
+  "NDF": {
+    "name": "NDF",
+    "chain_names": [
+      "N"
+    ],
+    "start_res": 1,
+    "sequence": "MDETVAEFIKRTILKIPMNELTTILKAWDFLSENQLQTVNFRQRKESVVQHLIHLCEEKRASISDAALLDIIYMQFHQHQKVWDVFQMSKGPGEDVDLFDMKQFKNSFKKILQRALKNVTVSFRETEENAVWIRIAWGTQYTKPNQYKPTYVVYYSQTPYAFTSSSMLRRNTPLLGQALTIASKHHQIVKMDLRSRYLDSLKAIVFKQYNQTFETHNSTTPLQERSLGLDINMDSRIIHENIVEKERVQRITQETFGDYPQPQLEFAQYKLETKFKSGLNGSILAEREEPLRCLIKFSSPHLLEALKSLAPAGIADAPLSPLLTCIPNKRMNYFKIRDK"
+  },
+  "ODF": {
+    "name": "ODF",
+    "chain_names": [
+      "O"
+    ],
+    "start_res": 1,
+    "sequence": "MEQANPLRPDGESKGGVLAHLERLETQVSRSRKQSEELQSVQAQEGALGTKIHKLRRLRDELRAVVRHRRASVKACIANVEPNQTVEINEQEALEEKLENVKAILQAYHFTGLSGKLTSRGVCVCISTAFEGNLLDSYFVDLVIQKPLRIHHHSVPVFIPLEEIAAKYLQTNIQHFLFSLCEYLNAYSGRKYQADRLQSDFAALLTGPLQRNPLCNLLSFTYKLDPGGQSFPFCARLLYKDLTATLPTDVTVTCQGVEVLSTSWEEQRASHETLFCTKPLHQVFASFTRKGEKLDMSLVS"
+  },
+  "PDF": {
+    "name": "PDF",
+    "chain_names": [
+      "P"
+    ],
+    "start_res": 1,
+    "sequence": "MDAELAEVRALQAEIAALRRACEDPPAPWEEKSRVQKSFQAIHQFNLEGWKSSKDLKNQLGHLESELSFLSTLTGINIRNHSKQTEDLTSTEMTEKSIRKVLQRHRLSGNCHMVTFQLEFQILEIQNKERLSSAVTDLNIIMEPTECSELSEFVSRAEERKDLFMFFRSLHFFVEWFEYRKRTFKHLKEKYPDAVYLSEGPSSCSMGIRSASRPGFELVIVWRIQIDEDGKVFPKLDLLTKVPQRALELDKNRAIETAPLSFRTLVGLLGIEAALESLIKSLCAEENN"
+  },
+  "QDF": {
+    "name": "QDF",
+    "chain_names": [
+      "Q"
+    ],
+    "start_res": 1,
+    "sequence": "MSGKANASKKNAQQLKRNPKRKKDNEEVVLSENKVRNTVKKNKNHLKDLSSEGQTKHTNLKHGKTAASKRKTWQPLSKSTRDHLQTMMESVIMTILSNSIKEKEEIQYHLNFLKKRLLQQCETLKVPPKKMEDLTNVSSLLNMERARDKANEEGLALLQEEIDKMVETTELMTGNIQSLKNKIQILASEVEEEEERVKQMHQINSSGVLSLPELSQKTLKAPTLQKEILALIPNQNALLKDLDILHNSSQMKSMSTFIEEAYKKLDAS"
+  },
+  "RDF": {
+    "name": "RDF",
+    "chain_names": [
+      "R"
+    ],
+    "start_res": 1,
+    "sequence": "MPVKRSLKLDGLLEENSFDPSKITRKKSVITYSPTTGTCQMSLFASPTSSEEQKHRNGLSNEKRKKLNHPSLTESKESTTKDNDEFMMLLSKVEKLSEEIMEIMQNLSSIQALEGSRELENLIGISCASHFLKREMQKTKELMTKVNKQKLFEKSTGLPHKASRHLDSYEFLKAILN"
+  },
+  "SDF": {
+    "name": "SDF",
+    "chain_names": [
+      "S"
+    ],
+    "start_res": 1,
+    "sequence": "MEEEAETEEQQRFSYQQRLKAAVHYTVGCLCEEVALDKEMQFSKQTIAAISELTFRQCENFAKDLEMFARHAKRTTINTEDVKLLARRSNSLLKYITDKSEEIAQINLERKAQKKKKSEDGSKNSRQPAEAGVVESEN"
+  },
+  "TDF": {
+    "name": "TDF",
+    "chain_names": [
+      "T"
+    ],
+    "start_res": 1,
+    "sequence": "MADHNPDSDSTPRTLLRRVLDTADPRTPRRPRSARAGARRALLETASPRKLSGQTRTIARGRSHGARSVGRSAHIQASGHLEEQTPRTLLKNILLTAPESSILMPESVVKPVPAPQAVQPSRQESSCGSLELQLPELEPPTTLAPGLLAPGRRKQRLRLSVFQQGVDQGLSLSQEPQGNADASSLTRSLNLTFATPLQPQSVQRPGLARRPPARRAVDVGAFLRDLRDTSLAPPNIVLEDTQPFSQPMVGSPNVYHSLPCTPHTGAEDAEQAAGRKTQSSGPGLQKNSPGKPAQFLAGEAEEVNAFALGFLSTSSGVSGEDEVEPLHDGVEEAEKKMEEEGVSVSEMEATGAQGPSRVEEAEGHTEVTEAEGSQGTAEADGPGASSGDEDASGRAASPESASSTPESLQARRHHQFLEPAPAPGAAVLSSEPAEPLLVRHPPRPRTTGPRPRQDPHKAGLSHYVKLFSFYAKMPMERKALEMVEKCLDKYFQHLCDDLEVFAAHAGRKTVKPEDLELLMRRQGLVTDQVSLHVLVERHLPLEYRQLLIPCAYSGNSVFPAQ"
+  },
+  "UDF": {
+    "name": "UDF",
+    "chain_names": [
+      "U"
+    ],
+    "start_res": 1,
+    "sequence": "MAPRGRRRPRPHRSEGARRSKNTLERTHSMKDKAGQKCKPIDVFDFPDNSDVSSIGRLGENEKDEETYETFDPPLHSTAIYADEEEFSKHCGLSLSSTPPGKEAKRSSDTSGNEASEIESVKISAKKPGRKLRPISDDSESIEESDTRRKVKSAEKISTQRHEVIRTTASSELSEKPAESVTSKKTGPLSAQPSVEKENLAIESQSKTQKKGKISHDKRKKSRSKAIGSDTSDIVHIWCPEGMKTSDIKELNIVLPEFEKTHLEHQQRIESKVCKAAIATFYVNVKEQFIKMLKESQMLTNLKRKNAKMISDIEKKRQRMIEVQDELLRLEPQLKQLQTKYDELKERKSSLRNAAYFLSNLKQLYQDYSDVQAQEPNVKETYDSSSLPALLFKARTLLGAESHLRNINHQLEKLLDQG"
+  },
+  "WDF": {
+    "name": "WDF",
+    "chain_names": [
+      "W"
+    ],
+    "start_res": 1,
+    "sequence": "MALSTIVSQRKQIKRKAPRGFLKRVFKRKKPQLRLEKSGDLLVHLNCLLFVHRLAEESRTNACASKCRVINKEHVLAAAKVILKKSRG"
+  },
+  "XDF": {
+    "name": "XDF",
+    "chain_names": [
+      "X"
+    ],
+    "start_res": 1,
+    "sequence": "MEGAGAGSGFRKELVSRLLHLHFKDDKTKVSGDALQLMVELLKVFVVEAAVRGVRQAQAEDALRVDVDQLEKVLPQLLLDF"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/7ZKQ.json

@@ -0,0 +1,42 @@
+{
+  "2DF": {
+    "name": "2DF",
+    "chain_names": [
+      "2"
+    ],
+    "start_res": 1,
+    "sequence": "MLILAIISLITFVSMSKLSDNRAIIRLINIYLILVLVLDSFLYLLFLNNQTYTVMGELLIFNSFTFYIDMLIYFIMIVISSLYGYNLYNNNLYKTLFEPKKELIILFLINILGALLIVHSNDFITLFVAIELQSYSIYLITAIYNSSYKASKASMLYFFMGGILSILIAYSINTYYSVLNSYTLHSLDSLIINTLDLNLILIALSLGLLFKIGIAPLHKWLISIYENTPILITIYISLIPKISILSYLVLSNISINSLVISILAILTLLVGSVGGLLQIKIKRLLAFSGLTNAGYMMLLLLLNNNEFSYLYYITQYSISHLAIFMIIIFSIYYINYINNQYNPIIYVNQLKGLIHDNAYLVLSMAIVVFSFIGIPPLLGFFGKLNILMSILNNGYYFISIVLIVASLISALYYLYLLNVSIQDKNNILINSNETVSSVLSYILSSLIILITFGFIYNSLIIDIFNVYFN"
+  },
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MSANPAIVRPTETTEQVLVNFTKPNSLETVLTKCDEELGGYSTVNLALERPTTGKPYGRFFGNLSLDLPKDNKMVTRSGFAMFRTLDQPSSMFKTNAWNWEQYRHLELRVRGDRRKYFVNVQSATPLASDLYQHRLFIQTPGEWETVVIPIDDFILTNKGVVQEQMAMDTANVYTVGIGLIDRQYGPYNLDIEYIKAVAHPPLEFKPKKEYEVEKETILLTPGQPMELGKGKVKELEENLYFQGAEAAAKEAAAKAWSHPQFEKGGGSGGGSGGSAWSHPQFEK"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MPKNALLRSARQVAISRVFATSRASHVVSHAPILASVRPRSNPAPYRRNFSSSRALRNDYGLDTAERSLKESLVPFNGAPVDRKVVRDQLMELISVSPGQVFPISVIPVVKSAYYELFRENERVLSAGDTKTLFGAVAGNNPEDVQDLPFVLAVYHQAEQAAETNRDSRDNILLLGKYFLFQDRLDNFWKLLEAQIKTHDDVDAGFVKQLLELISVDPHLTLGNVARVLQLKTDNHVSSSDELRNALSATLEQLYYKENEGSEFFLSLVENHILDSKDFTPSDSVVAMILNTCVNEGREDLGQSVLRNVVSRVGNLSPGQEDPQNCWGFWSSVAMDLHGSKTDVKAFISRLEALPHRTKATWDILIRYAVFKADLAGRNDLLQVRALLAEMQKVGFEPDAETYFDAYRSSKSIKPDVVHLFEAELDIEKDTSIFAIEMDKALKNHDTLEALSIFYESFEQGAQWENKRLHMEAMTELLIQYAGLNDTSVADILQLVQRIEPICAQGRIPYSAETAIAQNVLQRHSDTANFYTFMNRQYGNTADKVTKQDPQIRPHTYQVIHDYIYSCESERADLAWEMYGLLHKFYVVPFADYYKAIKFFAQDVKRQDYALLTFQQIRKNHDLHGQPAATSEMVAFLFHEFAKTKYKRGIKRLHEVVALETSFDVNRDVLNEMMAAYVSVEDLNRVQDCWAQLQQLPPSIGANNRSVDVLLSYFKDNIHYTERTWQGIPEFGLLPTLENYEQYLINNCRTGNYRRALEITKNMEIDSGLKPTAKIIAAVYNYTFTEQRKLEVEQWAEKAHPEMWLELKEGDKLKSLCLPANSDNDNVESLLKQASADMDEEMSGGIVKVESV"
+  },
+  "TDF": {
+    "name": "TDF",
+    "chain_names": [
+      "T"
+    ],
+    "start_res": 1,
+    "sequence": "MSFRNVSLRGSQLLGKLDSRGWGWYVAKKWNIGLVYTMCKVFLRCKKVDIKGLDNLLEAHRQARLEGRGLLTVMNHTSVLDDPVVWGMLPNDNGWIPYLMRWATGAKDICYKNKLYSLFFGAGQVLPITRFGIGGPFQPGMDMCVRLLNPNNKIKYSAKYTPYLVHTNATSYPFWRESNWVHFFPEGYVHQALEPHEGTMRYFRWGTSRAVLEPVTPPIIVPMFSHGLQKVFQEIPKGYEMEGNNTNKDRTISIRIGEPISETTVAGFRNEWINLCHKENVGLNAETMPDVLKNGQEAKDLRSKVAAYLREEVEKLRLTVPNMNPELPEFKEPEFWSDIDKVHKGVYNHRGKVRMLRNPTKGLIEVVEANKD"
+  },
+  "bDF": {
+    "name": "bDF",
+    "chain_names": [
+      "b"
+    ],
+    "start_res": 1,
+    "sequence": "MALFTSLVGASGLGFATKFLSNKIRLKPAGYYPLGYVFSGVAWAGLGLVLHNVHQHSLEVLEKKKTALSEQRTE"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/8A3T.json

@@ -0,0 +1,134 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MDPIGINKVLDHLAPSELIKPVKSCHNKPSVLVLDDRIVDAATKDLYVNGFQEEIQYQNPTPENLQHMFHQGIEILDSARMINVTHLALWKPSSFKLGNPVDFALDDNYDTFWQSDGGQPHQLDIMFSKRMDICVMAIFFSMIADESYAPSLVKVYAGHSPSDARFYKMLEVRNVNGWVALRFLDNREDDQLLKCQFIRLLFPVNHENGKDTHLRGIRLYVPSNEPHQDTHEWAQTLPETNNVFQDAILR"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MSTNLNPFMNNTPSSSPLKGSESKRVSKRPISSSSSASLLSSPSRRSRPSTVYGDRYIPSRTDIDFNSIVSISSMASVPALNPSSTEDQVEYQKERQAHETYNTLLKNELFGEMLSKDTVGSESSIDRIKNTRPSTRGNVHAENTTRHGYELERVSTPPPEAAGLEEFSPHSTPVTPRRLFTSQQDEITRPSSNSVRGASLLTYQQRKGRRLSAASLLQSQFFDSMSPVRPDSKQLLLSPGKQFRQIAKVPYRVLDAPSLADDFYYSLIDWSSTDVLAVALGKSIFLTDNNTGDVVHLCDTENEYTSLSWIGAGSHLAVGQANGLVEIYDVMKRKCIRTLSGHIDRVACLSWNNHVLTSGSRDHRILHRDVRMPDPFFETIESHTQEVCGLKWNVADNKLASGGNDNVVHVYEGTSKSPILTFDEHKAAVKAMAWSPHKRGVLATGGGTADRRLKIWNVNTSIKMSDIDSGSQICNMVWSKNTNELVTSHGYSKYNLTLWDCNSMDPIAILKGHSFRVLHLTLSNDGTTVVSGAGDETLRYWKLFDKPKAKVQPNSLIFDAFNQIR"
+  },
+  "CD0": {
+    "name": "CD0",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MTSKPSTRNDYLPRETHNGEYTGDSPEWQLQINITNKIGGINGDIWLSRDGRSVKWCIEDQCLRQFTYNQKIIKAGYIDFEKTPDCFVVVLSDIAHVYMLKNGGSTTVCFPFQIGNAFWYANGVILERETSASFMDGGYDLKPIEFDLKHKYITLTDPMAPFGLISITNTFKGGINSASGNKTDILQDFQLVLFPSDKDKCIAVFLDRNSKVLRFYYSRILSSDQSRKGELTISSTKKTGLDAAGNSQKSGGISKDLRKFSHLTRRSTSINSNSHDFNAAERVLSGNVGNASGRTDIFALPSSCSRRSLSATLDRMGNNIAPTNRAAPSGFFDSSSANTATHSNITPVSQPMQQQQQEYLNQTATSSKDIVLTEISSLKLPDDIIFTSRRLSSILSKLKFLSLRFERREGLLIFHEPTHFCKIWLIDLLPDVLDSIPFKIYGNSPQNMIRLENLKLKEPSRIQAMYIHELLESCLILVSEGQNKEEYKACLYDPFVKITSPSKNISEELTKQNSLPSLQKLFPYPETSFTKLCFEAVKYITSPAFNISFIFLWQSAYSILLSRANDDVVGGLKMEHDAFSLVLSLLILPIPSSSAQEYQEYKEIYERDLFQHLKQDSEITSSVLPRIVIGLHLIREEYSLNVLCRNEHALLGQFLRFATAAMGWPDLWQSYYVPKMDSESKTFLHPREQNSTFFHPLDEPPSITKSLYSITENSSIPLCPFISFSRLVATDTQVELRITPRSFKILGLYELVHSPNFLPDYVLGILSSFKVDKDELQTYPLGILVPLQNILKILEDKLSEVRDNLELLDRADLQRCSAIINSIRSDSKEVLKRGQRDSYMLCKVPLAKNRSSLSKKPSDIYSILSEIVKSASQV"
+  },
+  "CD1": {
+    "name": "CD1",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 875,
+    "sequence": "PLDGSAMRMSNIQDDEDIDEGRSLKLNAGLIFSEDKRFTHVVSLLAYYRPTKTQFFTTKTEYAQILAQKKYFAKIMALRTCTNGVGWGAVAYATEKPISTQKWVIQPLNLISVFPDDTKITVKAPEDIAHDIVEWGQFHAGVSSGLRISKKATGITGSWIAFNKPKELDAYHGGFLLGLGLNGHLKNLEEWHIYNYLSPRNTHISIGLLLGMSSSMKGSMDSKLIKVISVHLVAFLPSGSSDLNIDLKLQTAGIIGMGMLYLNSRHKRMSDSIFAQLVSLLNVNDEMVADEEYRLAAGISLGLINLGAGQTKLRKWDSSLLGLGDDLPEDVYDSSDVEQNVMYEDLTTKLLEIVTSTYDVENDWIPENSQIGAVIAIMFLFLKSNNFGISNMLKVDLKEILKANINTRPELLMYREWASNMILWEFIGDDLSFIMKDVDIGVKFSELNTDLLPIYYTMAGRILAMGIRFASTGNLKIRNILLSLVDKFLPLYQYPGKQNLDFRLTISVINVLTNVIVVSLSMVMCASGDLEVLRRVKYLHEVASGPYSDLFQEIPSSKSDVSGVTQVTSNTNTPGNSDRERVDETAASLDDERSSNGSDISDPTAYLEDKKDIDDHYGKFISTNLALGFLFLGSGQYALNTSTLESIAFLSMSVLPTYTTPHPLQELKHFWSMAVEPRCLVIKDISTGDAVNNVPIELVVEEDVEKEEVIREISTPCLLPDFSKIKSIRVKMHGYFPLEVNFTKDYSASDFFSGGTIIYIQRKSESVFENKASFRNVEDIHVALKRKAAESKNYSRLNLKNEQGNTTSSQLVESLGIQDLTMVELDTLLSAGNNTALTDSESYNLGLLCSDKNSGDILDCQLELWYKSFGPHDE"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D",
+      "P"
+    ],
+    "start_res": 1,
+    "sequence": "MNDDSQDKIIHDIRIQLRKAATELSRWKLYGSSKWAAEALAGLAEAIDVDQTHSLADESPLRNKQGVPKQMFEIPQNGFGLSETEYDLYLLGSTLFDAKEFDRCVFFLKDVTNPYLKFLKLYSKFLSWDKKSQESMENILTTGKFTDEMYRANKDGDGSGNEDINQSGHQRANLKMVSNEHESQSNISSILKEINTFLESYEIKIDDDEADLGLALLYYLRGVILKQEKNISKAMSSFLKSLSCYSFNWSCWLELMDCLQKVDDALLLNNYLYQNFQFKFSENLGSQRTIEFNIMIKFFKLKVFEELNGQLEDYFEDLEFLLQVFPNFTFLKAYNATISYNNLDYVTAESRFDDIVKQDPYRLNDLETYSNILYVMQKNSKLAYLAQFVSQIDRFRPETCCIIANYYSARQEHEKSIMYFRRALTLDKKTTNAWTLMGHEFVELSNSHAAIECYRRAVDICPRDFKAWFGLGQAYALLDMHLYSLYYFQKACTLKPWDRRIWQVLGECYSKTGNKVEAIKCYKRSIKASQTVDQNTSIYYRLAQLYEELEDLQECKKFMMKCVDVEELLEGIVTDETVKARLWLAIFEIKAGNYQLAYDYAMGVSSGTSQEIEEARMLARECRRHM"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "sequence": "MNQNGDKNEGKLFQLPSLPPWKTPRFNKANFNNFTTPLRKRSTRVINDDSMPITGEVLEERTADDLYGINMDVDEVDYLNTLSHIEEEKQYDYSPFCERNTLRESRIDSFLKAERAAHCLVFHKVGHLDGIDSYRPDIDIMCGEEANKYDSANPEGNGSMLLESVPGCNKEDLERLSRREFVTNSKPNMRRLDDIINHETNALKSFWNDSGLVNSLQSHHLHEEYLLLQEELKNVYKIKCHDRVPIESLRDKCRRHYSNEDSSFL"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F",
+      "H"
+    ],
+    "start_res": 1,
+    "sequence": "MAVNPELAPFTLSRGIPSFDDQALSTIIQLQDCIQQAIQQLNYSTAEFLAELLYAECSILDKSSVYWSDAVYLYALSLFLNKSYHTAFQISKEFKEYHLGIAYIFGRCALQLSQGVNEAILTLLSIINVFSSNSSNTRINMVLNSNLVHIPDLATLNCLLGNLYMKLDHSKEGAFYHSEALAINPYLWESYEAICKMRATVDLKRVFFDIAGKKSNSHNNNAASSFPSTSLSHFEPRSQPSLYSKTNKNGNNNINNNVNTLFQSSNSPPSTSASSFSSIQHFSRSQQQQANTSIRTCQNKNTQTPKNPAINSKTSSALPNNISMNLVSPSSKQPTISSLAKVYNRNKLLTTPPSKLLNNDRNHQNNNNNNNNNNNNNNNNNNNNNNNNIINKTTFKTPRNLYSSTGRLTTSKKNPRSLIISNSILTSDYSITLPEIMYNFALILRSSSQYNSFKAIRLFESQIPSHIKDTMPWCLVQLGKLHFEIINYDMSLKYFNRLKDLQPARVKDMEIFSTLLWHLHDKVKSSNLANGLMDTMPNKPETWCCIGNLLSLQKDHDAAIKAFEKATQLDPNFAYAYTLQGHEHSSNDSSDSAKTCYRKALACDPQHYNAYYGLGTSAMKLGQYEEALLYFEKARSINPVNVVLICCCGGSLEKLGYKEKALQYYELACHLQPTSSLSKYKMGQLLYSMTRYNVALQTFEELVKLVPDDATAHYLLGQTYRIVGRKKDAIKELTVAMNLDPKGNQVIIDELQKCHMQE"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G",
+      "W"
+    ],
+    "start_res": 1,
+    "sequence": "MIRRAPTTLQLSHDDVTSLIDDLNEQKLKQQLNIEKTKYFQGKNGGSLHSNTDFQDTSQNIEDNNNDNDNDIDEDDDMSSYNDKAASVAHTRVLNSLHLSTDSNTAHETSNANDNHNPFYIREE"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MSSSSYRDSYFQYRHLPAPHHILYAEWNQDILALPDEVANITMAMKDNTRTDAEEGRAPQDGERNSNVRESAQGKALMTSEQNSNRYWNSFHDEDDWNLFNGMELESNGVVTFAGQAFDHSLNGGTNSRNDGANEPRKETITGSIFDRRITQLAYARNNGWHELALPQSR"
+  },
+  "JDF": {
+    "name": "JDF",
+    "chain_names": [
+      "J",
+      "K"
+    ],
+    "start_res": 1,
+    "sequence": "MKFCLYCCHCYIVICGKATHYYKSSKATSNLKSSNRVLMRNPMSPSEQHSQHNSTLAASPFVSNVSAARTQQSLPTDAQNDRLQQPWNRTNTATSPYQSLANSPLIQKLQANIMTPHQPSANSNSNSNSITGNVVNDNNLLASMSKNSMFGSTIPSTLRKVSLQREYKDSVDGVVRDEDNDEDVHNNGDAAANANNDRESKLGHNGPLTTTTLTTTTTATQLDVSELSAIERLRLWRFDALMQHMYRTAEYIADKVYNISNDPDDAFWLGQVYYNNNQYVRAVELITRNNLDGVNILCRYLLGLSFVKLQRFDDALDVIGEYNPFSEDPSTTAANTMSNNGNNSNTSQPVTDGGIKMESSLCFLRGKIYFAQNNFNKARDAFREAILVDIKNFEAFEMLLSKNLLTPQEEWDLFDSLDFKEFGEDKEIMKNLYKINLSKYINTEDITKSNEILAKDYKLADNVDVVRSKVDICYTQCKFNECLELCETVLENDEFNTNILPAYIGCLYELSNKNKLFLLSHRLAETFPKSAITWFSVATYYMSLDRISEAQKYYSKSSILDPSFAAAWLGFAHTYALEGEQDQALTAYSTASRFFPGMHLPKLFLGMQFMAMNSLNLAESYFVLAYDICPNDPLVLNEMGVMYFKKNEFVKAKKYLKKALEVVKDLDPSSRTTISIQLNLGHTYRKLNENEIAIKCFRCVLEKNDKNSEIHCSLGYLYLKTKKLQKAIDHLHKSLYLKPNNSSATALLKNALELNVTLSLDASHPLIDKSNLMSQASKDKASLNKKRSSLTYDPVNMAKRLRTQKEIFDQNNKALRKGGHDSKTGSNNADDDFDADMELEKSSIPENLYF"
+  },
+  "NDF": {
+    "name": "NDF",
+    "chain_names": [
+      "N"
+    ],
+    "start_res": 1,
+    "sequence": "MARALRDISLFNDIRKDQNSAGAKHERYNMRDLRSKKNQHVNGIDDYEDDSLDRFIRRKKSRVVKYIPSLSAYNVFNEFPYYPTSASQLLDGKLDEFLMLSEQYKSRLPKIRKLGWNRFKPIGINKTMYELEMLRSRARAQNAEGNNEEDFRQHDSREEDPRNNGSIGRVILPHILQENEEYDTGEGVTGLHSMPNDSMAILANNSANNSQNEEVSEEDEISYDYDAEFDHVVDEDDNEEGEVPGEGVEGIEVQRERIVPDDLLMRPTSLSRSLQQFVEEAHHLDRNPYDIDSDNDGEDSKVELDMNPDFEDDVGREHDYNSEYSQEPTSYGGITPDLASNWRNWTRERITSLDELMERRARQQRGQD"
+  },
+  "ODF": {
+    "name": "ODF",
+    "chain_names": [
+      "O"
+    ],
+    "start_res": 1,
+    "sequence": "MSKYGPLGITNFITPYDLCILILIHAHCSQDNGISVPTAVFLRLISPTRPSLEWNPLLKDNSNLRSSSIVPPPVLPILDNIIRILLDDKDGNKIALTLMGYLEAINGLDSINRLMMDLEKNCLVNNYRSMKMRTTSTRRQMTRASFLGTFLSTCIRKYQIGDFEMRETIWINLQNFKTVFKHTPLWLRFKDNVHIQKVKNCLLANDEISVEDQQMVEFFQHFNNGNDADSKTMNEENYGTLISIQHLQSIVNRQIVNWLDNTEFNLMGQEETSSTYEEQSGLVFDLLDTLSLNDATKFPLIFILKYLEAIKENSYQTALDSLHNYFDYKSTGNSQNYFHISLLSLATFHSSFNECDAAINSFEEATRIARENKDMETLNLIMIWIINFIEVHPEYANRFYITVEQIIKYLKNSSDVEDANIFSNAYKFETLLSMVKESKTAEVSSSLLKFMAITLQNVPSQNFDLFQSLVSYEVKFWKELGYESISDVYEKFLSKTSSSSLRNYDSSIINQDIKVAFKALEEDDFLKVKQYLLKSESLELDYDQKINLKYLRVKYLVKIGDYDLSMRLINQYVKECCEEVADSNWRFKFEIESINVLLLSDVGIRSLPKIIKLIDEYKEIGNPLRCVILLLKLCEVLIQVGKSMEAECLISCNLSTILEFPFVRKKTDELLESLSVEEDRDVQMT"
+  },
+  "QDF": {
+    "name": "QDF",
+    "chain_names": [
+      "Q"
+    ],
+    "start_res": 1,
+    "sequence": "MSSPINDYFIDYNPLFPIFATRIAKGLAIYRVSDHARLAVIPIRNINLVANYDWDTTTGKFLSIFFKDGTIRIHDIFKDGRLVSFLRIPSTKISKGIWDRIPLRYEPNNRDFACNIIDDLPKLIRFVKDSKRINIVPYTQPNSLWRGPDEDDLDSNEKLDVHVVFNEGNDKITVFFNGDYAVFLSVDNIENENSLKSIIKVQDGFYQCFYEDGTVQTLNLGPLLQSKSSVNLLNYIMVIKELIGYMLTHLEFINRELATPYLDFVKRLCDEAYGYGKLKSELEALFLLGEISCDLEDWLCNSVGEKNFKRWKYLGCEAYQKTVQILTLIFVPACERIIIYVEKLRAILQAFSIQNKLSYTSDLTAVEVLLKSSQKLLTMTLNSIIGLGRDETLFEKFFIWFNDRLHEALDEDYKLKFQFEDDLYFGYDLLSYFDRILSKKGTEPSSIIDVKLYRDLINSMSDMEKDIAQSNVNSHIQQHILVDLKTDVFAQKYPSSQINLLDAIKLPKHNYIVYLIQVTKHNSAQEPFSEENKKKLYIGTLKDENLGIISKESSVKIPALFKSYRLSSTRFVPNRVHSLLRDIGLSDSNYHSSHVTDYRGENYENEEDDGTIAIPAYIRENRENDDFIACTAKVSVDGRSASLVFPKEKQNV"
+  },
+  "SDF": {
+    "name": "SDF",
+    "chain_names": [
+      "S"
+    ],
+    "start_res": 1,
+    "sequence": "MTGHVSKTSHVPKGRPSSLAKKAAKRAMAKVNSNPKRASGHLERVVQSVNDATKRLSQPDSTVSVATKSSKRKSRDTVGPWKLGKTLGKGSSGRVRLAKNMETGQLAAIKIVPKKKAFVHCSNNGTVPNSYSSSMVTSNVSSPSIASREHSNHSQTNPYGIEREIVIMKLISHTNVMALFEVWENKSELYLVLEYVDGGELFDYLVSKGKLPEREAIHYFKQIVEGVSYCHSFNICHRDLKPENLLLDKKNRRIKIADFGMAALELPNKLLKTSCGSPHYASPEIVMGRPYHGGPSDVWSCGIVLFALLTGHLPFNDDNIKKLLLKVQSGKYQMPSNLSSEARDLISKILVIDPEKRITTQEILKHPLIKKYDDLPVNKVLRKMRKDNMARGKSNSDLHLLNNVSPSIVTLHSKGEIDESILRSLQILWHGVSRELITAKLLQKPMSEEKLFYSLLLQYKQRHSISLSSSSENKKSATESSVNEPRIEYASKTANNTGLRSENNDVKTLHSLEIHSEDTSTVNQNNAITGVNTEINAPVLAQKSQFSINTLSQPESDKAEAEAVTLPPAIPIFNASSSRIFRNSYTSISSRSRRSLRLSNSRLSLSASTSRETVHDNEMPLPQLPKSPSRYSLSRRAIHASPSTKSIHKSLSRKNIAATVAARRTLQNSASKRSLYSLQSISKRSLNLNDLLVFDDPLPSKKPASENVNKSEPHSLESDSDFEILCDQILFGNALDRILEEEEDNEKERDTQRQRQNDTKSSADTFTISGVSTNKENEGPEYPTKIEKNQFNMSYKPSENMSGLSSFPIFEKENTLSSSYLEEQKPKRAALSDITNSFNKMNKQEGMRIEKKIQREQLQKKNDRPSPLKPIQHQELRVNSLPNDQGKPSLSLDPRRNISQPVNSKVESLLQGLKFKKEPASHWTHERGSLFMSEHVEDEKPVKASDVSIESSYVPLTTVATSSRDPSVLAESSTIQKPMLSLPSSFLNTSMTFKNLSQILADDGDDKHLSVPQNQSRSVAMSHPLRKQSAKISLTPRSNLNANLSVKRNQGSPGSYLSNDLDGISDMTFAMEIPTNTFTAQAIQLMNNDTDNNKINTSPKASSFTKEKVIKSAAYISKEKEPDNSDTNYIPDYTIPNTYDEKAINIFEDAPSDEGSLNTSSSESDSRASVHRKAVSIDTMATTNVLTPATNVRVSLYWNNNSSGIPRETTEEILSKLRLSPENPSNTHMQKRFSSTRGSRDSNALGISQSLQSMFKDLEEDQDGHTSQADILESSMSYSKRRPSEESVNPKQRVTMLFDEEEEESKKVGGGKIKEEHTKLDNKISEESSQLVLPVVEKKENANNTENNYSKIPKPSTIKVTKDTAMESNTQTHTKKPILKSVQNVEVEEAPSSDKKNWFVKLFQNFSSHNNATKASKNHVTNISFDDAHMLTLNEFNKNSIDYQLKNLDHKFGRKVVEYDCKFVKGNFKFKIKITSTPNASTVITVKKRSKHSNTSSNKAFEKFNDDVERVIRNAGRS"
+  },
+  "TDF": {
+    "name": "TDF",
+    "chain_names": [
+      "T"
+    ],
+    "start_res": 1,
+    "sequence": "MSFQITPTRDLKVITDELQTLSSYIFHTNIVDDLNSLLTWMSPNDAKSNHQLRPPSLRIKNIIKVLFPNNATTSPYSMINTSQANNSIVNEGNTNKELQLQLFSTLKEFYIFQVRYHFFLHFNNINYLKDIQRWENYYEFPLRYVPIFDVNVNDWALELNSLRHYLLNRNIKFKNNLRTRLDKLIMDDDFDLADNLIQWLKSANGSLSSTELIVNALYSKINKFCEDNMSRVWNKRFMIMETFNKFINQYWSQFSKLVGCPEDDHELTTTVFNCFESNFLRIRTNEIFDICVLAYPDSKVTLLELRKIMKDFKDYTNIVTTFLSDFKKYILNPSVTTVDALLRYVKTIKAFLVLDPTGRCLHSITTFVKPYFQERKHLVNVLLYAMLDLPEEELKEKINFNVDMKALLSLVDTLHDSDINQDTNITKRDKNKKSPFLWNLKVKGKRELNKDLPIRHAMLYEHILNYYIAWVPEPNDMIPGNIKSSYIKTNLFEVLLDLFESREFFISEFRNLLTDRLFTLKFYTLDEKWTRCLKLIREKIVKFTETSHSNYITNGILGLLETTAPAADADQSNLNSIDVMLWDIKCSEELCRKMHEVAGLDPIIFPKFISLLYWKYNCDTQGSNDLAFHLPIDLERELQKYSDIYSQLKPGRKLQLCKDKGKVEIQLAFKDGRKLVLDVSLEQCSVINQFDSPNDEPICLSLEQLSESLNIAPPRLTHLLDFWIQKGVLLKENGTYSVIEHSEMDFDQAQKTAPMEIENSNYELHNDSEIERKYELTLQRSLPFIEGMLTNLGAMKLHKIHSFLKITVPKDWGYNRITLQQLEGYLNTLADEGRLKYIANGSYEIVKNGHKNS"
+  },
+  "UDF": {
+    "name": "UDF",
+    "chain_names": [
+      "U"
+    ],
+    "start_res": 1,
+    "sequence": "MKVKINEVHSVFAWSWHIPSTSDEDAANNDPIGNDEDEDVCGICRASYNGTCPSCKFPGDQCPLVIGLCHHNFHDHCIYRWLDTPTSKGLCPMCRQTFQLQKGLAINDAHVQKFVEIVSRRREEMIEEGVAEEFVDFDEPIRQNTDNPIGRQQVDTILDEDFLLR"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/8A5O.json

@@ -0,0 +1,42 @@
+{
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MSLAVLLNKEDKDISDFSKTTAGKSAKKNSRERVADVAPTRVLDKKQAYLSQLNSEFNRIKRRDSIEQLYQDWKFINLQEFELISEWNQQSKDWQFDNTNDSQDLHFKKLYRDMSMINKEWAEYQSFKNANLSDIINEKDADEDEEDDEDELEDGEEDMEEDEASTGRHTNGKSMRGNGIQKSRKKDAAAAAAIGKAIKDDQTHADTVVTVNGDENEDGNNGEDEDNDNDNENNNDNDNDNENENDNDSDNDDEEENGEEDEEEEEIEDLDEEDFAAFEEQDDNDDEDFNPDVEKRRKRSSSSSSSTKLSMNSLSLITSKKINKNITINSDRPKIVRELIKMCNKNKHQKIKKRRFTNCIVTDYNPIDSKLNIKITLKQYHVKRLKKLINDAKREREREEALKNNVGLDGNDLDNDEDGSESHKRRKLNNNTANGADDANKRKFNTRHGLPTYGMKMNAKEARAIQRHYDNTYTTIWKDMARKDSTKMSRLVQQIQSIRSTNFRKTSSLCAREAKKWQSKNFKQIKDFQTRARRGIREMSNFWKKNEREERDLKKKIEKEAMEQAKKEEEEKESKRQAKKLNFLLTQTELYSHFIGRKDYKDDDDKGTDYKDDDDK"
+  },
+  "UDF": {
+    "name": "UDF",
+    "chain_names": [
+      "U"
+    ],
+    "start_res": 1,
+    "sequence": "MSQEEAESSIIYEEPIDIPLEDDDDEDELEEENSVPLSSQADQENAENESDDSVDNVVGSETPRSVTGLSVDPRDVADEEDEDEEGEDEDEDEDDNDVDNEDENDNDNANENENELGSSRDKRAPPAVQTSKRYKKYPKLDPAKAPPGKKVPLHLLEKRRLGRIKAAEEFAKTLKKIGIEKVETTTLPATGLFQPLMLINQKNYSSDYLKKDDQIFALRDRKFLRNNNTSQISSTNTPDVIDLKSLPHSEASAAPLNDEIDLNDPTATIVIHPGSNSIKIGFPKDDHPVVVPNCVAVPKKWLDLENSEHVENVCLQREQSEEFNNIKSEMEKNFRERMRYYKRKVPGNAHEQVVSFNENSKPEIISEKNDPSPIEWIFDDSKLYYGSDALRCVDEKFVIRKPFRGGSFNVKSPYYKSLAELISDVTKLLEHALNSETLNVKPTKFNQYKVVLVIPDIFKKSHVETFIRVLLTELQFQAVAIIQESLATCYGAGISTSTCVVNIGAAETRIACVDEGTVLEHSAITLDYGGDDITRLFALFLLQSDFPLQDWKIDSKHGWLLAERLKKNFTTFQDADVAVQLYNFMNRSPNQPTEKYEFKLFDEVMLAPLALFFPQIFKLIRTSSHKNSSLEFQLPESRDLFTNELNDWNSLSQFESKEGNLYCDLNDDLKILNRILDAHNIIDQLQDKPENYGNTLKENFAPLEKAIVQSIANASITADVTRMNSFYSNILIVGGSSKIPALDFILTDRINIWRPSLLSSASFPQFYKKLTKEIKDLEGHYVNAPDKTEDENKQILQAQIKEKIVEELEEQHQNIEHQNGNEHIFPVSIIPPPRDMNPALIIWKGASVLAQIKLVEELFITNSDWDVHGSRILQYKCIFTY"
+  },
+  "VDF": {
+    "name": "VDF",
+    "chain_names": [
+      "V"
+    ],
+    "start_res": 1,
+    "sequence": "MDSEVAALVIDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGIMVGMGQKDSYVGDEAQSKRGILTLRYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPMNPKSNREKMTQIMFETFNVPAFYVSIQAVLSLYSSGRTTGIVLDSGDGVTHVVPIYAGFSLPHAILRIDLAGRDLTDYLMKILSERGYSFSTTAEREIVRDIKEKLCYVALDFEQEMQTAAQSSSIEKSYELPDGQVITIGNERFRAPEALFHPSVLGLESAGIDQTTYNSIMKCDVDVRKELYGNIVMSGGTTMFPGIAERMQKEITALAPSSMKVKIIAPPERKYSVWIGGSILASLTTFQQMWISKQEYDESGPSIVHHKCF"
+  },
+  "WDF": {
+    "name": "WDF",
+    "chain_names": [
+      "W"
+    ],
+    "start_res": 1,
+    "sequence": "MSNAALQVYGGDEVSAVVIDPGSYTTNIGYSGSDFPQSILPSVYGKYTADEGNKKIFSEQSIGIPRKDYELKPIIENGLVIDWDTAQEQWQWALQNELYLNSNSGIPALLTEPVWNSTENRKKSLEVLLEGMQFEACYLAPTSTCVSFAAGRPNCLVVDIGHDTCSVSPIVDGMTLSKSTRRNFIAGKFINHLIKKALEPKEIIPLFAIKQRKPEFIKKTFDYEVDKSLYDYANNRGFFQECKETLCHICPTKTLEETKTELSSTAKRSIESPWNEEIVFDNETRYGFAEELFLPKEDDIPANWPRSNSGVVKTWRNDYVPLKRTKPSGVNKSDKKVTPTEEKEQEAVSKSTSPAANSADTPNETGKRPLEEEKPPKENNELIGLADLVYSSIMSSDVDLRATLAHNVVLTGGTSSIPGLSDRLMTELNKILPSLKFRILTTGHTIERQYQSWLGGSILTSLGTFHQLWVGKKEYEEVGVERLLNDRFR"
+  },
+  "XDF": {
+    "name": "XDF",
+    "chain_names": [
+      "X"
+    ],
+    "start_res": 1,
+    "sequence": "MSQESSVLSESQEQLANNPKIEDTSPPSANSRDNSKPVLPWDYKNKAIEIKSFSGYKVNFTGWIRRDVREERQRGSEFTASDVKGSDDKATRKKEPADEDPEVKQLEKEGEDGLDS"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/8ADL.json

@@ -0,0 +1,89 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A",
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MSLSPHVENASIPKGSTPIPKNRNVSSIGKGEFLGSSSSNNSSFRMNHYSNSGQPSVLDSIRRPNLTPTFSYSNGVYMPESHRTSSFNDSYLPYDKNPYAKTTGSMSNKSNMKIKTKKNAINTNTRKSSGLIYTTKVDKELSSIDKVNDPNINGLVCAGKTHLGLYKFSPSDRSIKCVHDFITPNSNTSTRGTTSLLPKLSKRTRQNKFSTIADVKTGFNNYKNCIAVCNNSTAISIYDLNKSSSIDNPLITSLCEHTRSINSFDFNMVESNLIISGGQDSCVKIWDLRSNKSKSSNRSDISINTASDSIRDVKWMPGYNFASKNDQGSSTYGNLKSGYKFASIHDSGYLLKFDLRQPAQYEKKLNAHTGPGLCLNWHPNQEYIATGGRDGKCCLWFVGDNANAAENTVLNYGNSPSLHAPNTSLNNSGSLAFPKLTINTGYPVTKLKFKPAYSSNIYNSLLGISSMGDEAEVRIYSLARKYIPKHVLLSETPSLGLVWWDENLIFNIDKGTRINGWDINKEPTVLENLSKNTTTWRDLDGNGLLSVDQEIGSYEVVEPELQPTSSTTCKKHPGTIKNPKNGNPENQGIIGGIKKGFSHTGLTSFTPERPPTLKAGPTFSTKSLTLASGASSFNSSSASLTSLTPQTENREEIAIEPPCIITLDIPQIFNNIRLTKIAHSRKKNVISESSSMKNSPVEKFKYLARQLKFSYIREHNVSDSADTAYKNDIENIDVVKNATETHGDNTTTTNNNDDGDDDDDDDDDDKIIESHLLKKYNFPENNTWATLMNEKVNNKKSKRNSSSSREFDEKDVRSSISSISASRQSHDRARKIDKNVEAELQEKIQTLVDLISIATHNASVYLSIDDLTNFKIWILIRDSLLWDLKWMTSSQISSDNASNMDANESSDFEAGENLKTGKEFPEEDGAGTSGAESLVEERPQAFRANSDEPSDAEKKPVSKLKEQLKNTEIIPYAQPNEDSDEVLTKLKELQNQRLESRTKMGETVSDDVIIEEDEHEHQEEEQPHDSPTKSAQFHASPIAKSIPILQKREHRKSFIDTFMLHSPNGYNGDTDIGNEDDNISPRFTYNSVSPRSKVSSLQSYATTTSQLETFKKLSSHTAPIIGSPRHAPSRPDSIGREQLSSSLTKKLAKCKKIIADPPWDTKKLIKQLYNQATETGNVVLTVNILFLFQTIYQITEIDIAKDAIAHFLLLLHRYELFGIAADVLKYCPFEDIMGSEGDQSSIRLFCERCGELITNESSKEKLRAEAQQTGNKKIMDKFGYWYCDSCKKKNTSCVLCERPLKKLTMVILPCGHEGHFQCIQEWFLDENEQECPGGCPGVAFI"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B",
+      "G",
+      "J",
+      "O"
+    ],
+    "start_res": 1,
+    "sequence": "MGLIKKVTHWSYDNLIDYLSVNPTRDEVTHYKVDPENESDESIIKLHTVKDFGSITCLDYSESEIGMIGVGEKNGYLRIFNISGQNSSSPASHAPVGLNANNETSMTNASGGKAAQAENIVGSVSNLKDTQGYPVSETNYDIRVRAKKQRCINSLGINTNGLIAMGLDRNKHDSSLQIWDMNYHDDSHETINPMFSYCTNESIVSLKFLNDTSVLAASTKFLKEIDVRSPNPIYQHPTRLTYDIKLNPFNDWQFSTYGDDGTLAIWDRRKLSDQASLGDLNVASPLLTFEKLVGSGAASRKYMNSCFRWSCVRNNEFATLHRGDTIKRWRLGYYCDSNRDIAADDDNEMNIENLFVSSVHDTNTMYDRVATFDYIPRSNNGTSLICMRQSGTIYRMPISEVCSKAILNNRNSLLLSNFENTEIDEIRVNNEHEKSNLENVKTILKNLSFEDLDVSEDYFPSGHDEPNNEIEYSELSEEENEGSNDVLDSKRGFELFWKPEKLLEKDISVIMRTRASLGYGLDPMNTVEMIDSSKNLQNNAYIRNTWRWIAIAKASVDDGTMVSGDLDLGYEGVIGIWNGINGISNQDRYRQETILSDKQLNKEMEKIIKLRRKNRDRNSPIANAAGSPKYVQRRLCLIISGWDLSRSDYEDKYNIIMKNGHYEKAAAWAVFFGDIPKAVEILGSAKKERLRLIATAIAGYLAYKDLPGNNAWRQQCRKMSSELDDPYLRVIFAFIADNDWWDILYEPAISLRERLGVALRFLNDTDLTTFLDRTSSTVIENGELEGLILTGITPNGIDLLQSYVNKTSDVQSAALISIFGSPRYFRDQRVDEWIQTYRDMLKSWELFSMRARFDVLRSKLSRTKTGVLTADIKPRQIYIQCQNCKQNINTPRTSSPSSAVSTSAGNYKNGEAYRRNNADYKKFNTGSSEAQAADEKPRHKYCCPHCGSSFPRCAICLMPLGTSNLPFVINGTQSRDPMQTEDSQDGANRELVSRKLKLNEWFSFCLSCNHGMHAGHAEEWFDRHNVCPTPGCTCQCNK"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C",
+      "Q"
+    ],
+    "start_res": 1,
+    "sequence": "MCSSINEGPYNSPTFGKSLSLKVDGGFNAVSINPSGRDIVLASRQGLYIIDLDDPFTPPRWLHHITPWQVADVQWSPHPAKPYWIVSTSNQKAIIWNLAKSSSNAIEFVLHGHSRAITDINFNPQHPDVLATCSVDTYVHAWDMRSPHRPFYSTSSWRSAASQVKWNYKDPNVLASSHGNDIFVWDLRKGSTPLCSLKGHVSSVNSIDFNRFKYSEIMSSSNDGTVKFWDYSKSTTESKRTVTTNFPIWRGRYLPFGEGYCIMPMVGGNNAVYLINLCDDDDSEQNKKTKLQPIYAFKGHSDRVIDFLWRSRHTCDGDYDDREFQLVTWSKDCDLKLWPISDSIYGKVNFDRGKRLEEKLPDYDYCSYNKEPENRENVQKNEFRRLRENFVTTSGLKKNKTNHITWLSGIRMNSATSQEDLFNETKIQNLGEEVSAIGHKFPKVVFEKISVSTRELCLTLNGPWSEENPDDYIFLRISINFPLNYPNKGDPPKFTIEENSNLTMSKRQEILSNLATIGQKYTDSNLYCLEPCIRFVLGEKVSLEDIEEGQEPLLNFDIADHIDFEELSSLDSSYSDSQNPENLSSQSDIESYKEALVFPDTSNQGLDFGRNLALDTTPVPNGCGSCWTATGELFCFFANEKKPEKKQNAIIKLSQKEAGVEKHPFKIEPQVLYDKEVDSSVITAADELKARPKRYVDTLGLGGGTNGDSRTYFDDETSSDDSFDSVADDWDDILRNDIIVRTKIPILRGNFKAFSSVHSESGKTVESTKKNKNLVISKNFSSLLSDRKELALEYLFMDATPEGFARNNALVAEKFDLDEISHCWQILSDMLIDQSDYDPYTTIWNNHPMGIKWFIKEAIVYFERQQNLQMLAMLCCVILSARRKKIPARYYGQELENMEGTIVFNDNESQNTSFWKGSDAFSTRSRSSTVTPNFYGNHLRGKNIHGGDNSSIRSDDHHARLRTHNTLNGSSKFTEPAQKQGSRAISSSPFHSRMPDIKVELLHDDIIEAYEQEDLLHLEVSDIPKFQTYIYQYSKLLFRWGLPLERVKILKVSTDFRSSYSSQGIPPNNNKKSPYNGVLTHWIENNEFGEEKFLARNCNYCDLRVTRSSFICGNCQHVLHSSCARIWWEIGDECPSGCGCNCPEMFDA"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D",
+      "E",
+      "F",
+      "L",
+      "M",
+      "N"
+    ],
+    "start_res": 1,
+    "sequence": "MQPFDSGHDDLVHDVVYDFYGRHVATCSSDQHIKVFKLDKDTSNWELSDSWRAHDSSIVAIDWASPEYGRIIASASYDKTVKLWEEDPDQEECSGRRWNKLCTLNDSKGSLYSVKFAPAHLGLKLACLGNDGILRLYDALEPSDLRSWTLTSEMKVLSIPPANHLQSDFCLSWCPSRFSPEKLAVSALEQAIIYQRGKDGKLHVAAKLPGHKSLIRSISWAPSIGRWYQLIATGCKDGRIRIFKITEKLSPLASEESLTNSNMFDNSADVDMDAQGRSDSNTEEKAELQSNLQVELLSEHDDHNGEVWSVSWNLTGTILSSAGDDGKVRLWKATYSNEFKCMSVITAQQ"
+  },
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H",
+      "P"
+    ],
+    "start_res": 1,
+    "sequence": "MVVIANAHNELIHDAVLDYYGKRLATCSSDKTIKIFEVEGETHKLIDTLTGHEGPVWRVDWAHPKFGTILASCSYDGKVLIWKEENGRWSQIAVHAVHSASVNSVQWAPHEYGPLLLVASSDGKVSVVEFKENGTTSPIIIDAHAIGVNSASWAPATIEEDGEHNGTKESRKFVTGGADNLVKIWKYNSDAQTYVLESTLEGHSDWVRDVAWSPTVLLRSYLASVSQDRTCIIWTQDNEQGPWKKTLLKEEKFPDVLWRASWSLSGNVLALSGGDNKVTLWKENLEGKWEPAGEVHQ"
+  },
+  "SDF": {
+    "name": "SDF",
+    "chain_names": [
+      "S",
+      "T"
+    ],
+    "start_res": 1,
+    "sequence": "MLSYFQGFVPIHTIFYSVFHPTEGSKIKYEFPPNNLKNHGINFNTFKNYIIPKPILCHKLITFKYGTYRIVCYPVTINSPIYARNFFSFNFVFVFPYDCETSPYEPAITRLGKMFKVLEEQNQLLSKSERDPVFFDLKVLENSTTTPSTAGPSSTPNPSSNTTPTHPTSEKDTKDMRSSRYSDLIKDLGLPQSAFSIQDLLMRIFQDLNNYSECLIPIDEGNAVDIKIFPLLRPPTTCVSLEDVPLSSVNLKKIIDVNWDPTMMSIVPYIDGLNSIAKISKLSNSDPGLVIECIRHLIYYKCVTLSDIFQFSNIYAPSSLIRNFLTDPLMASDCQSYVTFPEVSKISNLPLNKSLGSGDQDSPSFSVRRKSKSSSIPSNPDSRTTSFSSTSRVSQNSSLNSSFSSIYKDWRQSQTSCSSSNIHVINNRNRFLPTRSCLFDLYRSLSQGQTLKTWYESKYMILKENNIDIRRFITFGLEKRIIYRCYSFPVMINAGSREPKEMTPIITKDLVNNDKLLEKRNHNHLLSATGSRNTAQSGNLKPERPSKVSFEMQRVSSLATGKSTMPKLSDEEEGILEESIRNAETFDKICVLLSKPKLEVESYLNELGEFKVINS"
+  },
+  "UDF": {
+    "name": "UDF",
+    "chain_names": [
+      "U",
+      "V"
+    ],
+    "start_res": 1,
+    "sequence": "MDECLPNSCLLGVHLVISTHSGPQIVYHYPPSNTAFLTNNPTKHQHLYGNHANLNKNTSTNKEEKLFNSGSTKTASQIALNESAKSYNTAITPSMTNTNTNNVTLPPTRSHANTVGSQSSIPAATNGVGYRKTDIEDTSRTFQYQETESETSSSGLSDSELSTDYLDISSDSFSISSSLSSSSLSSSPSSSSSSSPPQDGLSRTNSSFQSTDSMSPTSPQMIMENDSISVAESYLDSGTNNKSRAASKRSQNFFHKLSTKKSTDSKTHSPVRKLKSKPSQSTKKGNKLLKNTSNETDGNAFTGSCSISSKKSLSSTGEHNQELRNSSLNDTPGQSPHHYHHRYHHYHKNAATSQRNSHTQYDVEEEDMEVSAMLQDGKISMNEIFFEEENFQDINKILEFDNDFVAEFCSPEREMCNTRFEFTVDNFCFLGLPIHVDSQGRWRKSKHKNKTRSKRSSSTTTNISRKKSIASKISSLSENTLKKVNSGEADTVYDSNIGHEASTDTPNLRINTDVSGNEFEREKEDLGKNMNMFHVCFVMNPHLIEYNKRIDDMYQFVVTRLSLLLRYVQSKTSYISSECHIILKEKERVLKHSKTYQSIRGAGNKGKYLYQRILAKSSLARALTECVDKIQRNEIACLEINDDKVISLQIPIQNEFEKMPNFKLQPVLRGSYLTSILNMKFLEKSSLRIESQNRQNDQAQFSDTNNNIYRFGNNINSTGHCGAANVDDGDDNESNYYCDDNDDLLNYALLLLDEPNNIISSLETFSYQDDIGTIILKHLVRNIQPNIPLRSYRYLITDLLDNPSSLDDLTTETNSLESSILRSCALHLMYWRHARIVIPLSSKYTYIVSPLAPIQGYTIDDYKSTSQNDGNVKKMDDRENNKSGSDRVPLIYQNSMLFRSKFPSLPSLPIFLSLLSTDKPQAYSNIIPSREHKPVYLNALAWLIQYGYVTQLLTFINIRVDKHIKMAVDEDLEKEGFRKTNTARRPSMDYKKTDKKLDDEDGQSRDANASEACSGKNEGMQSNDNNKDVDEKDNENDSRVDDRDDNEIAIADEEEILHFEYDDPEMQHDYTIILEPERATAIEKRWLYRCIYGQPSDIQILFNKLLKYFNGKVPMELVIIKEEISRHDLKKLLNALDKYLIEIHHW"
+  },
+  "WD0": {
+    "name": "WD0",
+    "chain_names": [
+      "W",
+      "X"
+    ],
+    "start_res": 1,
+    "sequence": "MFAKLHGKKQRPISSINSQTPRTSNTTHANSISLSSGNLIVGSNRNLRQKKEQFGSQQRASGRKLISNKENDDNVNNGGDNNYDNGERVHRHHIPGLKIKAYQAELGYHESRFSENLVMLNLVEFPDIKPGDLVELKTYHKNPSASNGDKKIYFIAKDFDGETKRRAKTSNVSILSGQLQTLLDLPSRSRIWIKLKPNKFDLQADVVEFNIKDCLLNRGDMWVLSSKLVDTCVFMDQRLAFLDSIRGTIKGIYRNGKKIVSGYIGEQTRIIFRSESARLIFLIQITDEMWNFEETGEQLFQKMVNSFFPKIFKKWKDVDTHHTITIAFAISMDLSDTSFKDLTPGESLKNSQDYFRIVVDQVSIIHWVDIMETLREEFMEIRKDLLNKQTDKGYSVANGRFSPVIKSNFLELVNFATTILTDPFKQLDLRHTTTHVMIISPGSGLFDVDYSLLRLTGKKLLSLEMTMDLICLSKAPLHIVPLFRYRDFENKLHHCVPLWLSVFFWNDHDKKSNSEWTPRCKIYDLQMMGITENELIREVDVEYLQLNKKVKSLSEFMNDYDKNAFEVKILCAGSNTKQSKKLNSKFDTVFENDVVVKARKIPATATTTHGNTKFIWRGPKVALPAIKDIQKPNVIPDLSIKTIEASFYDDCNTTNDKISTPTTSNNDNLEMNDSLVSVRSADNQNTSLALDSLKGLSKRNSLKDFTQRVITKFISNIDTSKNKKIKSTLLRDDVDNSPLGSNTPLPSSESKISGLKLQQKGLADENVISKRGNLIIKKNLSIFGLPSNEIMS"
+  },
+  "WD1": {
+    "name": "WD1",
+    "chain_names": [
+      "W",
+      "X"
+    ],
+    "start_res": 793,
+    "sequence": "GSPSSYLGSSHTRTSSKLSNMSDKAAFITEGQKSKHDDSNTYSLTQQLKHRISETWVDIKSPSIPVSSEFANELLPIRWKDVWPKYVARKYSKWRSFTTPAELPITISDFPSKDDFDRNFIFRNHSVTLNTDQEQYNQTYKDLLRDMIYMRLLTGFQICVGRQVEKIELSRESGESETVVNKYLDFNQNDAFKLYLMIDSEIHRITCSSSGIIDVERYLRKDEANLFDQVPSYIPLVKTRYESSFRDAMIDPLHVKRESLNWNQIDQVLAGYGDNLIDRKWHGFRAKYVVLPTDIPPNTYSMVINGKSETLNPEEIRVEGLRRLIGSITRSRLRTEKEKKGRKTKREEIQPEVMFYTGPLYNFINEQQTSLESSAINFKDSIFVNDNNLLNRNVELSKLAYQIQRGEDRITLVNRKWHWKKHEKCFVGSEMVNWLIRNFSDIDTREDAIKYGQKVMKEGLFVHVLNKHNFLDGHYFYQFSPEYVMDTNKLEKTNSHRSTLSDPKQMLRKASTGSSNDPSAMTPFSSVVPAISASNASVADAKEPSRPILMLSNSLVIDVDPAGKSSKQESCTVHYDRVHNPDHCFHIRLEWLTTTPKLIDDLVGNWSRLCERYGLKMIEIPWEELCTIPSVNPFHSFVEIKLAINPWEDPEFKDRELFAKSKFYYHVYLLKASGFLLDNRASKFLQNQDIEFDIMYSWGKPQFKYVQYIHHTGAYVAELRENGCLFLAPNNIYISRVNPGNIIGKIHSASSSSLDAQKVILNFKSTCLDYQKLRSIFLDAKEMWITGKIVED"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/8ADN.json

@@ -0,0 +1,137 @@
+{
+  "3DF": {
+    "name": "3DF",
+    "chain_names": [
+      "3",
+      "4"
+    ],
+    "start_res": 1,
+    "sequence": "MDFQDYIQSLKKDFKLVKINDHTYILHKNKKTLELTPDKMYNIQEINDILNVSYPDISYDRNLEDLGSKNKGILNGFGNVGEDDLHPQIGRRKGKKKGAIFSPEEFKEEEDSDGIDKTDIFPLKKKRDPDSDHFKKTGGDDDNPFLY"
+  },
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A",
+      "O"
+    ],
+    "start_res": 1,
+    "sequence": "MFLDTHKQLTLFTSEGKLDQCDNALKAATQGSLSVGCVSENGVVLASLKESNNLVILSEYKKIYQISPNLGITYSGCQPDFRIQYNLSLKISEEYTDIYSTNIPIRLFVEQFSRQIQEYTIKKGYRPFGTLLLIVGDNKMYRVDPSGSYTSLQVGTIGREYTESGRLLERRKGMLDDNISTCVECIREYCGRSVKSEDIDIGVYRGQEFRVYSKEEVQEVFDSINKI"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B",
+      "P"
+    ],
+    "start_res": 1,
+    "sequence": "MSSNTFTEEGRLLQTEYAIKNVSKGGTIIGLVCKDGVILLGINKTELLDEREKIYKINPKVYVSVSGLFGDAMLLKKYGQVKAQDFLYEFDYDCDIDRICNFISEKKQLFTQYNSTRPFGFSFIYAGMKNNKFKLCSTDPSGTINEWKGVCFGENEDAINNGLRNDFPDEEMDMERGLFEIFKILSKVTECSAKDHKKYEILYFKNEESRFLEFEEIENILLRIEEEKNKK"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C",
+      "Q"
+    ],
+    "start_res": 1,
+    "sequence": "MEYENALGIFSPDGRLIQVEYAQQASEQGSLVVFSSDTNEICLSIETKTHNKMLIDQNKLLPVDKDLNIWYTFSGIKPDSYKVLNEARLICRNYKIKTGTNISFDELAYELSLYKQKFTLDSSMRPFGIRSILLQVKDMAKIYVLEPDGNYSEYKCGAVGQKSVSVCEYLEKCEEEDIIFRSVSGLGTVVQSDKNKVMSYVISKDEIRRVEDETVSQIISTVSVK"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D",
+      "R"
+    ],
+    "start_res": 1,
+    "sequence": "MSIVSRQNANTYSAEGRLYQVEYAMQAMNLGTSSIGIKTKDYVLLASEKKIISKLQNPSSVKKHYRVYDHIALGFSGISADVKTIVDKSRNFAINHEYLYDENCKVERLLEHLADLSLNFDKKEADEKIFSRPFGASLLIIGYDTEPRLFSLDPSGSYLEYHAKAIGSGSEVIENMLEQEFDPNVDINSGLKNILNMLSKVMKDKINNFNVEITAITKNECKILTPEEIEQFLE"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E",
+      "S"
+    ],
+    "start_res": 1,
+    "sequence": "MNSQTDYTNYIIFNPEGKIKQLEFINNTVQLGSTVVALKNKSFGVFVTYNEKRSKFALQQKKIFPINSKSLFSFSGITNDGTKIVKYLKNSTVFENIRKGRDIHPIHVFDDLCYSACIRTLTNGNRLYGVQGLLLTDYQGISLVLFDPKGSAKEVRGMSIGSRSQSCRTILEDECDKFEEYNKEELVRLGIKALRNAYPETGVLNKDNVDIWILETNQESKQIKSEEYLQ"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F",
+      "T"
+    ],
+    "start_res": 1,
+    "sequence": "MAILDVDTVYTNTGDILQIGYAQKAADNGNTAICMKNKKGLIMIAEKPIESKLYVSEKNFRIKKVNNSIFQISSGIETDLVYINENLKNNLISEKHSNDMDVSHESVRNQIVNIIHQFTRYSGVRPIGINLLTCSKYKNEYKILQTDCTGKSLFFKSSVIGKGSRIVKTELEKLNLENMEIRDLVENGIRILYKSYDPLKDKPFDIEIGIMCEETNGEFVRLEKNQYSEIIEKYKDFSVDGEE"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G",
+      "U"
+    ],
+    "start_res": 1,
+    "sequence": "MSIKDEIYNIFNADGKILQIEYGLEAVNKSLPLVVLKNKNMIVCAAKKNQGHLLEDEVQTSFQPIYPNLYSAFTGNWADVFYVNSKAKDLAHYASYKLGFSVTPDILCRKLADELQPLIQSTGERAPAFAGALFGFDNGKPVVYMTNISAVCYPVYGSMVGSKNQNMYKYVEKYYNEDIEDEKLFEVAVGGLLESLGENSVYQEMEVAYLRNGEVLKYLDDKEIESLLLSIADK"
+  },
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H",
+      "V"
+    ],
+    "start_res": 1,
+    "sequence": "MFTKTGTTIVGVKYKGGVVICADTRSTSGPIVADKNCSKIHYISDNIQACGAGTSADITRVTRKASKVLSIFSKTYNRLPRVSHCVRTCQLHLHPYQGHISAALVVGGVDDTGAHLYDVYPHGSSNSVSYTALGSGSLAAISILEAGYKDMNREEAMELACAAIEAGIMNDLYSGSNIDVCVISQEGREMFRNYKKVGVRNEVPKFQYPRSSVKILKEDIYKYIEEK"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I",
+      "W"
+    ],
+    "start_res": 1,
+    "sequence": "MSDISQHYGGSLLAMIGKSSVAFLSDKRLGSGPISVSKNFTKIYSLTPRLFFGFTGLVSDGEMLFKKIRKNYNLFVQDNNKDMEPSELSNMISYILYQKRLQPYYVAVIVCGMTLDKKPYASSMDCIGAMKETSEFVTSGTASKNLMGLSEALFYPEMEDEDLFTTSVQTFLNSSDRDTFGGMGFECLLINPEGYKRREFVGRCD"
+  },
+  "JDF": {
+    "name": "JDF",
+    "chain_names": [
+      "J",
+      "X"
+    ],
+    "start_res": 1,
+    "sequence": "MESSVALKGNDFVIIGTDSSVKNSYLVLKREEDKFYNINNKVVFTYLGDQGDAFRTSSFINEKLVYEEIQNNVEITPKVTANVIQKTLYDNLRSHPKNCYFLVGGLSQDGPELYSVDLYGSLHENDFMAVGISTYFCYGVLDKEYHKNITKEDGIKIIQKCFDVLKQRCSVDISNIEIKIVSKEGVETINKVL"
+  },
+  "KDF": {
+    "name": "KDF",
+    "chain_names": [
+      "K",
+      "Y"
+    ],
+    "start_res": 1,
+    "sequence": "MEKLFTGDIMEIQNTKVDSAFMKNKIVPYKGTTTLAFIFQGGMVIAVDSRASAGSYIASQNVHKVIRVNKHLIGTMAGGASDCYFWEKKMGLYAKLYELKNNKRISVSAASMYLSNCVYSYKGQGLSLGSMVCGYDGDKPVIYYVDDAGQRLSGDLFSVGSGSTIAYGVLNESYRFDLTKEEALNLGKKAIWHATHRDAYSGGNVNLYFMDKNGWEHLGTFDVDKFEQ"
+  },
+  "LDF": {
+    "name": "LDF",
+    "chain_names": [
+      "L",
+      "Z"
+    ],
+    "start_res": 1,
+    "sequence": "MFTLQANTKDQIIKDLNIGDLTIRDLNIKDLNIGDSSTVNLFKVDIPLLSNEIPLDFTFDNLPSNKKEIFESFDSFTDFVEGKTKSQESKFNPYEDNSGSTVSIRLNNSIIIAADTRHCSEMGIYSRNTSKIFRIGDFLLTITGFYADGYELYNRLKYQVQIYESFNKISIHSLANLASKIMYSKRLFPYYSYVTLSGFEGDNPYVYSFDCLGHFEEVDSVCNGSGSPLIQPLLDSTIEKKNWAGENYEVTEEYVKDIVRRGFNAASERDVKTGDNVEIWIIKKDGMTKEYERLRQD"
+  },
+  "MDF": {
+    "name": "MDF",
+    "chain_names": [
+      "M",
+      "a"
+    ],
+    "start_res": 1,
+    "sequence": "MKNFVIGSGVISLRYKNGVITCTDTQASYGNLCKFNDVRRIFRLSSNTLISLSGEISDIQFLMNELNKLNESDPVKMSPRGYLNLVQGILYNKRSRVEPLNVSVSIVGVDDDDFLVSCVNHLGNFYEDNIVCTGLSNMIALPFLRTCNVLDLERDEAISLVEKAMTVMCYRSCRSSNRIQIGVVEKGLVDISDPYVLNTDWQVGHNEEEIVL"
+  },
+  "NDF": {
+    "name": "NDF",
+    "chain_names": [
+      "N",
+      "b"
+    ],
+    "start_res": 1,
+    "sequence": "MVAYDNKNNEGFSPNLPEMTGTTIMAVKYADGILIGADCRTSMGTYVSSRFTDKLTKISDNIYCCRSGSAADTQAITQYITELVQRSSFIDKEIPSVKKAAMAAKDIIYRYPNMLAGLIIAGYDTKPRIFNISLGGTMTEAEWQIGGSGSAYIYGLCDTTFKPNMNLEEALEFVKLAVTCAIKRDNASGGCIRMASITREGVQRFFYSGDKILNST"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/8BEL.json

@@ -0,0 +1,65 @@
+{
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C",
+      "M"
+    ],
+    "start_res": 1,
+    "sequence": "MTIRNQRFSLLKQPISSTLNQHLVDYPTPSNLSYWWGFGSLAGICLVIQIVTGVFLAMHYTPHVDLAFNSVEHIMRDVEGGWLLRYMHANGASMFFIVVYLHIFRGLYYASYSSPREFVWCLGVVIFLLMIVTAFIGYVLPWGQMSFWGATVITSLASAIPVVGDTIVTWLWGGFSVDNATLNRFFSLHYLLPFILVGASLLHLAALHQYGSNNPLGVHSEMDKIAFYPYFYVKDLVGWVAFAIFFSIWIFYAPNVLGHPDNYIPANPMSTPPHIVPEWYFLPIYAILRSIPDKAGGVAAIALVFICLLALPFFKSMYVRSSSFRPIYQGMFWLLLADCLLLGWIGCQPVEAPFVTIGQISSLVFFLFFAITPILGRVGRGIPNSYTDETDHT"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D",
+      "N"
+    ],
+    "start_res": 1,
+    "sequence": "MLRVAGRRLFSVSQRSSTATSFVVSRDHTLSDGGGDSSSAPRSLPSADLSSYHRSLIRGFSSQVLAQGNEIGFGSEVPATVEAVKTPNSKIVYDDHNHERYPPGDPSKRAFAYFVLSGGRFVYASVLRLLVLKLIVSMSASKDVLALASLEVDLGSIEPGTTVTVKWRGKPVFIRRRTEDDIKLANSVDVGSLRDPQEDSVRVKNPEWLVVVGVCTHLGCIPLPNAGDYGGWFCPCHGSHYDISGRIRKGPAPYNLEVPTYSFLEENKLLIG"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E",
+      "O"
+    ],
+    "start_res": 1,
+    "sequence": "MVGGGVIRQLLRRKLHSQSVATPVLSWLSSKKANEDAGSAGLRAFALMGAGITGLLSFSTVASADEAEHGLECPNYPWPHEGILSSYDHASIRRGHQVYQQVCASCHSMSLISYRDLVGVAYTEEEAKAMAAEIEVVDGPNDEGEMFTRPGKLSDRLPEPYSNESAARFANGGAYPPDLSLVTKARHNGQNYVFALLTGYRDPPAGISIREGLHYNPYFPGGAIAMPKMLNDEAVEYEDGTPATEAQMGKDVVSFLSWAAEPEMEERKLMGFKWIFLLSLALLQAAYYRRLKWSVLKSRKLVLDVVN"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G",
+      "Q"
+    ],
+    "start_res": 1,
+    "sequence": "MGKQPVKLKAVVYALSPFQQKIMTGLWKDLPEKIHHKVSENWISATLLVTPVVGTYWYAQYFKEQEKLEHRF"
+  },
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H",
+      "R"
+    ],
+    "start_res": 1,
+    "sequence": "MADDEVVDPKKYLEESCKPKCVKPLLEYQACVKRIQGDDSGHKHCTGQYFDYWQCIDKCVAPKLFAKLK"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I",
+      "S"
+    ],
+    "start_res": 1,
+    "sequence": "MEYAARRNQKGAFEGFYKLIMRRNSVYVTFIIAGAFFGERAVDYGVHKLWERNNVGKRYEDISVLGQRPVEE"
+  },
+  "JDF": {
+    "name": "JDF",
+    "chain_names": [
+      "J",
+      "T"
+    ],
+    "start_res": 1,
+    "sequence": "MAGTSGLLNAVKPKIQTIDIQAAAGWGIAAAAGAIWVVQPFGWIKKTFIDPPPTEEK"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/8CTE.json

@@ -0,0 +1,65 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MPYSVGFREADAATSFLRAARSGNLDKALDHLRNGVDINTCNQNGLNGLHLASKEGHVKMVVELLHKEIILETTTKKGNTALHIAALAGQDEVVRELVNYGANVNAQSQKGFTPLYMAAQENHLEVVKFLLENGANQNVATEDGFTPLAVALQQGHENVVAHLINYGTKGKVRLPALHIAARNDDTRTAAVLLQNDPNPDVLSKTGFTPLHIAAHYENLNVAQLLLNRGASVNFTPQNGITPLHIASRRGNVIMVRLLLDRGAQIETKTKDELTPLHCAARNGHVRISEILLDHGAPIQAKTKNGLSPIHMAAQGDHLDCVRLLLQYDAEIDDITLDHLTPLHVAAHCGHHRVAKVLLDKGAKPNSRALNGFTPLHIACKKNHVRVMELLLKTGASIDAVTESGLTPLHVASFMGHLPIVKNLLQRGASPNVSNVKVETPLHMAARAGHTEVAKYLLQNKAKVNAKAKDDQTPLHCAARIGHTNMVKLLLENNANPNLATTAGHTPLHIAAREGHVETVLALLEKEASQACMTKKGFTPLHVAAKYGKVRVAELLLERDAHPNAAGKNGLTPLHVAVHHNNLDIVKLLLPRGGSPHSPAWNGYTPLHIAAKQNQVEVARSLLQYGGSANAESVQGVTPLHLAAQEGHAEMVALLLSKQANGNLGNKSGLTPLHLVAQEGHVPVADVLIKHGVMVDATTRMGYTPLHVASHYGNIKLVKFLLQHQADVNAKTKLGYSPLHQAAQQGHTDIVTLLLKNGASPNEVSSDGTTPLAIAKRLGYISVTDVLKVVTDETSFVLVSDKHRMSFPETVDEILDVSEDEGEELISFKAERRDSRDVDEEKELLDFVPKLDQVVESPAIPRIPCAMPETVVIRSEEQEQASKEYDEDSLIPSSPATETSDNISPVASPVHTGFLVSFMVDARGGSMRGSRHNGLRVVIPPRTCAAPTRITCRLVKPQKLSTPPPLAEEEGLASRIIALGPTGAQFLSPVIVEIPHFASHGRGDRELVVLRSENGSVWKEHRSRYGESYLDQILNGMDEELGSLEELEKKRVCRIITTDFPLYFVIMSRLCQDYDTIGPEGGSLKSKLVPLVQATFPENAVTKRVKLALQAQPVPDELVTKLLGNQATFSPIVTVEPRRRKFHRPIGLRIPLPPSWTDNPRDSGEGDTTSLRLLCSVIGGTDQAQWEDITGTTKLVYANECANFTTNVSARFWLSDCPRTAEAVNFATLLYKELTAVPYMAKFVIFAKMNDPREGRLRCYCMTDDKVDKTLEQHENFVEVARSRDIEVLEGMSLFAELSGNLVPVKKAAQQRSFHFQSFRENRLAMPVKVRDSSREPGGSLSFLRKAMKYEDTQHILCHLNITMPPCAKGSGAEDRRRTPTPLALRYSILSESTPGSLSGTEQAEMKMAVISEHLGLSWAELARELQFSVEDINRIRVENPNSLLEQSVALLNLWVIREGQNANMENLYTALQSIDRGEIVNMLEGSGRQSRNLKPDRRHTDRDYSLSPSQMNGYSSLQDELLSPASLGCALSSPLRADQYWNEVAVLDAIPLAATEHDTMLEMSDMQVWSAGLTPSLVTAEDSSLECSKAEDSDATGHEWKLEGALSEEPRGPELGSLELVEDDTVDSDATNGLIDLLEQEEGQRSEEKLPGSKRQDDATGAGQDSENEVSLVSGHQRGQARITHSPTVSQVTERSQDRLQDWDADGSIVSYLQDAAQGSWQEEVTQGPHSFQGTSTMTEGLEPGGSQEYEKVLVSVSEHTWTEQPEAESSQADRDRRQQGQEEQVQEAKNTFTQVVQGNEFQNIPGEQVTEEQFTDEQGNIVTKKIIRKVVRQIDLSSADAAQEHEEVTVEGPLEDPSELEVDIDYFMKHSKDHTSTPNP"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D",
+      "N"
+    ],
+    "start_res": 1,
+    "sequence": "MYGKIIFVLLLSEIVSISASSTTGVAMHTSTSSSVTKSYISSQTNDTHKRDTYAATPRAHEVSEISVRTVYPPEEETGERVQLAHHFSEPEITLIIFGVMAGVIGTILLISYGIRRLIKKSPSDVKPLPSPDTDVPLSSVEIENPETSDQ"
+  },
+  "KDF": {
+    "name": "KDF",
+    "chain_names": [
+      "K"
+    ],
+    "start_res": 1,
+    "sequence": "MSSKYPRSVRRCLPLWALTLEAALILLFYFFTHYDASLEDQKGLVASYQVGQDLTVMAALGLGFLTSNFRRHSWSSVAFNLFMLALGVQWAILLDGFLSQFPPGKVVITLFSIRLATMSAMSVLISAGAVLGKVNLAQLVVMVLVEVTALGTLRMVISNIFNTDYHMNLRHFYVFAAYFGLTVAWCLPKPLPKGTEDNDQRATIPSLSAMLGALFLWMFWPSVNSPLLRSPIQRKNAMFNTYYALAVSVVTAISGSSLAHPQRKISMTYVHSAVLAGGVAVGTSCHLIPSPWLAMVLGLVAGLISIGGAKCLPVCCNRVLGIHHISVMHSIFSLLGLLGEITYIVLLVLHTVWNGNGMIGFQVLLSIGELSLAIVIALTSGLLTGLLLNLKIWKAPHVAKYFDDQVFWKFPHLAVGF"
+  },
+  "LDF": {
+    "name": "LDF",
+    "chain_names": [
+      "L",
+      "Q"
+    ],
+    "start_res": 1,
+    "sequence": "MRFTFPLMAIVLEIAMIVLFGLFVEYETDQTVLEQLNITKPTDMGIFFELYPLFQDVHVMIFVGFGFLMTFLKKYGFSSVGINLLVAALGLQWGTIVQGILQSQGQKFNIGIKNMINADFSAATVLISFGAVLGKTSPTQMLIMTILEIVFFAHNEYLVSEIFKASDIGASMTIHAFGAYFGLAVAGILYRSGLRKGHENEESAYYSDLFAMIGTLFLWMFWPSFNSAIAEPGDKQCRAIVNTYFSLAACVLTAFAFSSLVEHRGKLNMVHIQNATLAGGVAVGTCADMAIHPFGSMIIGSIAGMVSVLGYKFLTPLFTTKLRIHDTCGVHNLHGLPGVVGGLAGIVAVAMGASNTSMAMQAAALGSSIGTAVVGGLMTGLILKLPLWGQPSDQNCYDDSVYWKVPKTR"
+  },
+  "MDF": {
+    "name": "MDF",
+    "chain_names": [
+      "M",
+      "O",
+      "R",
+      "S"
+    ],
+    "start_res": 1,
+    "sequence": "MASEFKKKLFWRAVVAEFLATTLFVFISIGSALGFKYPVGNNQTAVQDNVKVSLAFGLSIATLAQSVGHISGAHLNPAVTLGLLLSCQISIFRALMYIIAQCVGAIVATAILSGITSSLTGNSLGRNDLADGVNSGQGLGIEIIGTLQLVLCVLATTDRRRRDLGGSAPLAIGLSVALGHLLAIDYTGCGINPARSFGSAVITHNFSNHWIFWVGPFIGGALAVLIYDFILAPRSSDLTDRVKVWTSGQVEEYDLDADDINSRVEMKPK"
+  },
+  "PDF": {
+    "name": "PDF",
+    "chain_names": [
+      "P",
+      "T",
+      "W"
+    ],
+    "start_res": 1,
+    "sequence": "MEELQDDYEDMMEENLEQEEYEDPDIPESQMEEPAAHDTEATATDYHTTSHPGTHKVYVELQELVMDEKNQELRWMEAARWVQLEENLGENGAWGRPHLSHLTFWSLLELRRVFTKGTVLLDLQETSLAGVANQLLDRFIFEDQIRPQDREELLRALLLKHSHAGELEALGGVKPAVLTRSGDPSQPLLPQHSSLETQLFCEQGDGGTEGHSPSGILEKIPPDSEATLVLVGRADFLEQPVLGFVRLQEAAELEAVELPVPIRFLFVLLGPEAPHIDYTQLGRAAATLMSERVFRIDAYMAQSRGELLHSLEGFLDCSLVLPPTDAPSEQALLSLVPVQRELLRRRYQSSPAKPDSSFYKGLDLNGGPDDPLQQTGQLFGGLVRDIRRRYPYYLSDITDAFSPQVLAAVIFIYFAALSPAITFGGLLGEKTRNQMGVSELLISTAVQGILFALLGAQPLLVVGFSGPLLVFEEAFFSFCETNGLEYIVGRVWIGFWLILLVVLVVAFEGSFLVRFISRYTQEIFSFLISLIFIYETFSKLIKIFQDHPLQKTYNYNVLMVPKPQGPLPNTALLSLVLMAGTFFFAMMLRKFKNSSYFPGKLRRVIGDFGVPISILIMVLVDFFIQDTYTQKLSVPDGFKVSNSSARGWVIHPLGLRSEFPIWMMFASALPALLVFILIFLESQITTLIVSKPERKMVKGSGFHLDLLLVVGMGGVAALFGMPWLSATTVRSVTHANALTVMGKASTPGAAAQIQEVKEQRISGLLVAVLVGLSILMEPILSRIPLAVLFGIFLYMGVTSLSGIQLFDRILLLFKPPKYHPDVPYVKRVKTWRMHLFTGIQIICLAVLWVVKSTPASLALPFVLILTVPLRRVLLPLIFRNVELQCLDADDAKATFDEEEGRDEYDEVAMPV"
+  },
+  "XDF": {
+    "name": "XDF",
+    "chain_names": [
+      "X"
+    ],
+    "start_res": 1,
+    "sequence": "MGQALGIKSCDFQAARNNEEHHTKALSSRRLFVRRGQPFTIILYFRAPVRAFLPALKKVALTAQTGEQPSKINRTQATFPISSLGDRKWWSAVVEERDAQSWTISVTTPADAVIGHYSLLLQVSGRKQLLLGQFTLLFNPWNREDAVFLKNEAQRMEYLLNQNGLIYLGTADCIQAESWDFGQFEGDVIDLSLRLLSKDKQVEKWSQPVHVARVLGALLHFLKEQRVLPTPQTQATQEGALLNKRRGSVPILRQWLTGRGRPVYDGQAWVLAAVACTVLRCLGIPARVVTTFASAQGTGGRLLIDEYYNEEGLQNGEGQRGRIWIFQTSTECWMTRPALPQGYDGWQILHPSAPNGGGVLGSCDLVPVRAVKEGTLGLTPAVSDLFAAINASCVVWKCCEDGTLELTDSNTKYVGNNISTKGVGSDRCEDITQNYKYPEGSLQEKEVLERVEKEKMEREKDNGIRPPSLETASPLYLLLKAPSSLPLRGDAQISVTLVNHSEQEKAVQLAIGVQAVHYNGVLAAKLWRKKLHLTLSANLEKIITIGLFFSNFERNPPENTFLRLTAMATHSESNLSCFAQEDIAICRPHLAIKMPEKAEQYQPLTASVSLQNSLDAPMEDCVISILGRGLIHRERSYRFRSVWPENTMCAKFQFTPTHVGLQRLTVEVDCNMFQNLTNYKSVTVVAPELSA"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/8E9G.json

@@ -0,0 +1,122 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MALYTPILILGAIAAVFAVVSVGIALVIGPRRFNRSKLEAYECGIDPLPPVAAGLTGQRIPIRYYLIAMLFIVFDIEIVFLYPWAVAFDSLGLFAVIEMLLFMLTVFVAYAYVWRRGGLNWD"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MGLEERLPGGILLSTVETVAGYVRKGSLWPATFGLACCAIEMMSTAGPRFDIARFGMERFSATPRQADLMIVAGRVSQKMAPVLRQIYDQMVEPKWVLAMGVCASSGGMFNNYAVVQGVDHVVPVDIYLPGCPPRPEMLLHAILKLHDKIQQMPLGVNREEAIREAEQAALAVPPTIELKGLLR"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MSTSNGSANGTNGVGLPRGDEPEIIAVRRGMFGNRDTGDTSGYGRLVRPVALPGSTPRPYGGYFDAVMDRLAEVLGEERYAMSIERVVVYRDQLTIEVSRVQLPAVASVLRDDPDLRFELCLGVSGVHYPEDTGRELHAVYPLMSITHNRRIQLEVAAPDADPHIPSLYAVYPTTDWHERETYDFFGIIFDGHPSLTRIEMPDDWEGHPQRKDYPLGGIPVEYHGAQIPPPDQRRSYS"
+  },
+  "DDF": {
+    "name": "DDF",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "sequence": "MSTSTVPPDGGEKVVVVGGNDWHEVVAAARAGAAAQAGERIVVNMGPQHPSTHGVLRLILEIEGEIITEARCGIGYLHTGIEKNLEYRNWTQGVTFVTRMDYLSPFFNETAYCLGVEKLLGITDDIPERASVIRVMLMELNRISSHLVALATGGMELGAMSAMFYGFREREEILRVFESITGLRMNHAYIRPGGLAADLPDDAITQVRRLVEILPKRLKDLEDLLNENYIWKARTVGVGYLDLTGCMALGITGPILRSTGLPHDLRKAQPYCGYENYEFDVITDDRCDSYGRYIIRVKEMHESVKIVEQCLARLKPGPVMISDKKLAWPADLKLGPDGLGNSPEHIAKIMGRSMEGLIHHFKLVTEGIRVPPGQVYVAVESPRGELGVHMVSDGGTRPYRVHYRDPSFTNLQAVAATCEGGMVADAIAAVASIDPVMGGVDR"
+  },
+  "EDF": {
+    "name": "EDF",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "sequence": "MSEVFLELGQRPDEAGPPISGPATYPDDVTESLRADAEQIIARYPDARSALLPLLHLVQAQDGYLTPAGIGFCAAQLGLTEAEVTAVATFYSMYRRTPTGDYLVGVCTNTLCAIMGGDAILEALEDHLGVHPGQTTPDGRVTLEHVECNAACDYAPVVMVNWEFYDNQTPSSARDLVDGLRSGSPPPPTRGSLCTFRETARTLAGLTDPNAPGGAPGAATLAGLRLARERGMTAPTPPQTNGSAS"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MTPLTPVLSRFWDEPEPWTLETYRRHDGYQGLQRALSMGPDDVIAFVKDSGLRGRGGAGFPTGTKWSFIPQERGDQPAGGPAAKPHYLVINADESEPGTCKDIPLLLTTPHFLVEGAIIAAYAIRARHAFIYVRGEVLPVLRRLQAAVAEAYAAGYLGTDIMGSGFDLDLIVHAGAGAYICGEETALLDSLEGRRGQPRLRPPFPAVAGLYACPTVVNNVESIASVPPIMVNGVDWFRSMGSEKSPGFTLYSLSGHVTRPGQYEAPLGITLRELLEYAGGVRAGHQLKFWTPGGSSTPLLTAEHLDVPLDYEGMASVGSMLGTKALQIFDETTCVVRAVRRWTQFYAHESCGKCTPCREGTYWLAQIYARLENGAGTEADIDKLLDISDNIFGKSFCALGDGAASPIMSSIKHFRDEYVAHLDGGCPFDPHASTLMATEGAGV"
+  },
+  "GDF": {
+    "name": "GDF",
+    "chain_names": [
+      "G"
+    ],
+    "start_res": 1,
+    "sequence": "MTLAEPTKDTPPVEMVSLTIDDHEISVPKGTLLIRAAELMGIQIPRFCDHPLLDPVGACRQCLVEVEGQRKPMASCTTTVMPDMVVRTQFTSEAADKAQRGVMELLLINHPLDCPICDKGGECPLQNQAMSNGRPETRFEDVKRTFPKPISISSQVLLDRERCVLCARCTRFSSQIAGDPFIDLMERGALQQVGIGQDKPFQSYFSGNTVQICPVGALTGTAYRFRARPFDLVSSPSVCEHCASGCAQRTDHRRGKVLRRLAGDEPEVNEEWNCDKGRWAFTYATVGDRITTPMLRDGGVLRPASWSEALTVAAAGLLTAAGSTGVLVGGRCTVEDAYAYAKFARMVLNTNDVDFRARPHSAEEAEFLAAHVAGQTMGLRYAELENAPTVLLAGFEPEEESPIVFLRLRKGVRKNGVQVVAVAPWASRGLTKLAGTVVPTVPGDEPAALDGMHDDDRLRRPGAVILVGERLATSPGALSAAVRLAAATGARLAWIPRRAGERGAIEAGALPNLLPGGRPVDDADARAEVARAWYISALPEAPGRDTAAILSTAASGHLAALLVGGVELGDLPDPELAVAAVRTTPFVVSLELRESAVTELADVVFPVAPVVEKAGSFLNWEGRPRPFAPSLKTNAIPDLRVLHYLADEIGVDLALPTAEAADAELAQLGTWGGARPPAPTAPPTARPEAGSGQAVLASWRMLLDAGRLQDGEPHLAGTAVRPVARMSAATAAGIGASDGAPVTVSTERGAVTLPLAVTDMPDGVVWLPMNSPGSAVHQRLGVTAGAVVSIGAGA"
+  },
+  "HDF": {
+    "name": "HDF",
+    "chain_names": [
+      "H"
+    ],
+    "start_res": 1,
+    "sequence": "MTHPDPTLFGHDPWWLMLAKAVAIFVFLLLTVLSAILIERKLLGRMQMRFGPNRVGPAGLLQSLADGIKLALKEGLVPAGVDKPIYLLAPVISVIPAFVAFSVIPLGGAVSVFGHRTPLQLTDLPVAVLFILAATSIGVYGIVLAGWASGSTYPLLGGLRSSAQVVSYEIAMGLSFVAVFLYAGTMSTSGIVAAQDRTWFVFLLLPSFLVYVVSMVGETNRAPFDLPEAEGELVGGFHTEYSSLKFAMFMLAEYVNMTTVSALATTMFLGGWHAPFPFNLIDGANSGWWPLLWFTAKVWTFMFLYFWLRATLPRLRYDQFMALGWKVLIPVSLLWIMVVAITRSLRQHGEGTWAAWLLTAAVVVVVALIWGLATSLRRRTVQPPPPQSTGAYPVPPLPSVGTKETADA"
+  },
+  "IDF": {
+    "name": "IDF",
+    "chain_names": [
+      "I"
+    ],
+    "start_res": 1,
+    "sequence": "MPKFLDALAGFAVTLGSMFKKPITEGYPEKPGPVAPRYHGRHQLNRYPDGLEKCIGCELCAWACPADAIYVEGADNTADERYSPGERYGRVYQINYLRCIGCGLCIEACPTRALTMTTEYEMADDNRADLIWGKDKLLAPLQEGMQAPPHDMAPGKTDDDYYLGNVTPITPVPSGTEDAR"
+  },
+  "JDF": {
+    "name": "JDF",
+    "chain_names": [
+      "J"
+    ],
+    "start_res": 1,
+    "sequence": "MNSDLMLLAAEGARTSTSEAVVFWVVGTVALVGAIGVVAARKAVYSAVFLACTMISLAVLYIAQDAPFLGVVQIVVYTGAVMMLFLFVLMLIGVDLTESLVETIKGHRIAALIAGAGFGILVIAGIGNVSVAGFSGLAAANSGGNVEGLAALIFTRYLWAFELTSALLITAALGAMVLAHRERFERRKTQRELAIERFQTGGHPTPLPNPGVYARHNSVDVPARLPDGSESPLSVSTILPHRTVGSATNGKR"
+  },
+  "KDF": {
+    "name": "KDF",
+    "chain_names": [
+      "K"
+    ],
+    "start_res": 1,
+    "sequence": "MNPDNYLYLSALLFTIGAAGVLLRRNAIVMFMCVELMLNAANLAFVNFSRMHGQLDGQVVAFFTMVVAACEVVVGLAIIMAIFRTRRSASVDDANLLKH"
+  },
+  "LDF": {
+    "name": "LDF",
+    "chain_names": [
+      "L"
+    ],
+    "start_res": 1,
+    "sequence": "MITDWLPVWLLIALPAAGATILLLAGRRSDRWGHLLGCAMSLAAFAVGTVLFAGMLGRSGEERAVHEALFSWVPVGGLQVDFGLQLDQLSVCFVLLITGVGSLIHIYSIGYMAEDPDRRRFFAYLNLFLAAMLLLVLADNYLGLYAGWEGVGLASYLLIGFWSHKPSAATAAKKAFVVNRVGDMGLAIALMIMFATIGSISFAGVFAAAPGLSEATLSAIGLLLLLGACGKSAQVPLQSWLGDAMEGPTPVSALIHAATMVTAGVYLIVRSGPIFDLAPTAQTGVVIVGAVTLLFGAIIGCAKDDIKKALAASTMSQIGYMVLAAGLGPAGYAFAIMHLLTHGFFKAGLFLGAGSVMHAMNDEVNMRRYGGLRKVLPVTFATFGLGYLAIIGVPPLAGFFSKDGIIEAALGAGGARGVILGGAAILGAGITAFYMTRVMLMTFFGEKRWAANSHPHEAPAVMTWPMILLAVGSVVSGGALAIGGTLSHWLEPVVGTHEAHHAVPVWVVTAIVLAVVAVGIAVAYRMYARQAVPEEVPEGSALTVAARRDLYGDAFNEAVFMRGGQTLTAAMVTVDDKAVDGTAGGLAALVSRTSDALRQVQTGFARSYALSMLGGSALVVAAILAVQLW"
+  },
+  "MDF": {
+    "name": "MDF",
+    "chain_names": [
+      "M"
+    ],
+    "start_res": 1,
+    "sequence": "MVSTFPWLTVLWAVPVVGAAVVILLPAAQQVLAKWLALAVSVLTLAVTAVVAIGFDPAAAQYQFVESHRWIPSFGTGYILGVDGIALALVVLTAVLVPLLIIAGWNDASRQTGLAGRSVQAYLALTLAVEGMVLMSLVALDILLFYVFFEAMLIPMYFLIGGFGGENRSRAAVKFLLYNLFGGLIMLAAVIGLYVVTAGSDAFAAGTFDFREIVAAVSSGEFAVNPAIMNFLFLGFMFAFAVKAPLWPFHRWLPDAAVEATPASAVLMMAVMDKVGTFGMLRYCLQLFPDASTYFRPVVITLAAIGIVYGAVLAIGQTDVMRLIAYTSISHFGFIILGIFVMTSQGQSGSTLYMINHGISTAALFLIAGFLVSRRGSRLIDSYGGVQKVAPVLAGTFLVAGLATLSLPGLAPFISEFLVLIGTFTRYPVVAVFAATALVLSAVYILWTYQRMMTGPVRDGIGDGDRPVRDLVPRELVVVAPLLALLLVLGIYPKPALDVINPAVEHTLTTIGQTDPEPTVPPTIAEGAR"
+  },
+  "NDF": {
+    "name": "NDF",
+    "chain_names": [
+      "N"
+    ],
+    "start_res": 1,
+    "sequence": "MITPSIEYGLLSPMLIVFGVAIAGVLIEALAPRQSRYPLQVTLALGGLIATVVAVVFVARGLSGTPGRPAVLGAVVLDAPAVFLQGTIALVGILGIMLIAERQKATVSAGEARGLEDFTPQASAVAGSVAEQLATKTGVMQTEVFPLTMFAIGGMLLFPAADDLLTMFVALEVLSLPLYLLCGLARRRRLLSQEAALKYFLLGAFSSAFFIYGAAMLYGSAGTLDLSGIAESVAAGSGNTSLALLGVALLLVGVLFKVGAVPFHSWIPDVYQGAPTSITAFMAAATKIAAFGAMLRIFYVAVPALRDDWRPVLWAIAILTMVVGTVTAVTQTDVKRMLAYSAVAHSGFILTGVIAANPAGVSSTLFYLFAYGFSTLGAFAVVGLIRNAAGDEETSMAQWAGLGRRYPIVGVVFSLFLLAFAGIPLTSGFVSKFAVFKAAGEGGAIPLVIIGVIASAVAAYFYVRVIVLMFFTEPPDDAPELVVPSGLSTAVVTVTAAVTFALGALPQPLLDLANSAETFLH"
+  },
+  "ODF": {
+    "name": "ODF",
+    "chain_names": [
+      "O"
+    ],
+    "start_res": 1,
+    "sequence": "MAGSAPLRILVYSDNPRTREQVRLALGKRIHPELPEIEYVDVATAPMAISQMDAGGFDLAILDGEATPAGGMGVAKQVKDEIDDCPPILVLTGRADDAWLAKWSRAEAAVPHPIDPIRLSDAVVSLLRAPAQ"
+  }
+}

scripts/paper_resources/figures/data/benchmark2/pdb_infos/8F5O.json

@@ -0,0 +1,66 @@
+{
+  "ADF": {
+    "name": "ADF",
+    "chain_names": [
+      "A"
+    ],
+    "start_res": 1,
+    "sequence": "MSTTSMTAPATSPSRLESMRAASSTTSSKPAPTGPSKKSDAPAKTKRQDKPNVNSANDSNAADTGTAAAATRPDHGRRSRRTEDANWLNAEKPGNAYRPADKELSQNVKVVQDDILNREQAQREQAERAQRQKEKLEQHISESPAGFQAALPRLNELDVANSWDKLLRMMRSEYDMSCLTSCLARELDEDVAWNPEMLLVQLTSDMLDAAELQKDSGEAYVPVDASDIGQMTGGEVARKRKAKRTKAAGGAEGEPEKDTEMPATASPPPTSQAATSKTPRKKATTDPAAAEPKKTQTGKAQNAGPTSAGNSSLPQKGSAAGSTSGAAGGGGGSKTSAAPSTAKRDASKDANATKSSSSKKKTSKQVSK"
+  },
+  "BDF": {
+    "name": "BDF",
+    "chain_names": [
+      "B"
+    ],
+    "start_res": 1,
+    "sequence": "MFVYLSKRIAMPNGVKVTSIAWNDGQGWLACGGEKGLLKVLKVDGGPQGQRSGGLSSSQTLEGHDTTVDLVTWNQQYCKLTSSDVSGRIIVWVLHKGMWFEEMVNNRNSSRVVDFAWNPSGTKICITYEDGAVIVGGVDGNRYWGRELPYKLAKVCWGADGNSILFGTATGEVYVHDASSGEHLSQVEIKCNDGKAPSPLAGLSWHPAWVERPEPLATLAVCYQSGKLQLMTSIGDETPCNVDRDLPAHFISWNPSGTVLAVTAATPATEENGPGIVTQFFSTEGVHLRTLRVSGKQCGGITWEGGGLRVAIGVDSSVYFANVRPNYKYCYFKKTAVFAFTVPDKVEESVMFWNVNTNERRTKSVRGLQYMNACKDACVLISRPDTTQQQRMIQLVNAIGSPLETRFIDMELYTYDMNSSAVVCCGDESIYIWQFRDPSTAVDALDPISMQASRAESQERVIHVCDLVRGDTAPTMKVRSALTNDLISAMCVSETHMFVSLESGTLHVYQLSPLQLVSKYILFARAQSMSVNCNSTQLAVIHLGGITNVYCIEREKFSLVPCKADTIDGVELKDVWNLRWAVDDPHRFAVMEKTRMLVYNHGVAEEPVQSCANLCKFKSLKIRTLQLDELLLDPERPRKDYIVDFEAQLLRDMRAVLRDGTAKEAYEFAESHNTKKLWELLAEHTLFQLDFTYAEVAFIHCKDYAAIQFVKRVRSLDDPKKQLAEVNAYYRRFDEAERLYKDVDRKDLALDLRYRLGDWFGVVRLVQEGGGDEALLFQAWENIGDHYASRQKWSKAAQYYTQCRHYRKLARIFYIIEDYEMLTQLISMGEHDKELMVTLGNMLLTVGLAEEAAKAFIAANEPRMAVNGCVQVNMWNRAIALAKEHRLEDVGQLLEKYAKYLIHRERLTEAIELYRKAGKHDEAATLLAQLGKRAALRDALKAKKFYVLSALEVQKYRTTAIALNRDGVAVVSEMLNKDRSTVSERTLDAAWRGAEAYHFLLMCQQQMADRNFKAALVLAMRLIEYDDLVAPVDGYSLIALTAYLVKNFGLCSKAFARLEQAERNDEAGGVAAAATTQLENFSLDLDVTHRTMASTCGGSTGGSTGMLSGGGGSALSGTTTSLQLTNPGKGVTRMAPMTYPTVSLRDPPRPFADLARHIFMTHSPVDTSVDSVPCPTCGSFNKEWAQRCIKCQQPFNTCIVSGCAIVSEDGAWQCSVCHRKALEAVVDKYRNCPLCHTPRKGRMRRGI"
+  },
+  "CDF": {
+    "name": "CDF",
+    "chain_names": [
+      "C"
+    ],
+    "start_res": 1,
+    "sequence": "MHTSVRWSETADAVKGIRPPVNSLCYSPSGDYVVASCGVRVLVYAASTGTLLHSLMGHQDTIYCVDYSSDGKNFASGGADRTVIVWSSQGEGIVKYQHTEAIQALAHNPTSSQLASVSSVDWGIWSPEQPKVSKYSLPSKGLCAAWTPNGKTLAIGMLDGTVMMLSKTSEEKVIIRRPAPVWALAFTPLRENGIDVLAIGSWDQRLSFYNLSGTAVGRERELDFDPCSVSYFNDGEYILLSGSDHKVTLFTKDGNRLIELASADDWIWSARQRPRQKQFCYGTNDGTISCIDITISTVHTIYDDQYVFRKDMTNLVVHQLLVDRKMVIPCNEYVQKIATFLDKLAVQLQERVIVFEFFYDDDRTMRYQDIAQIRRRLECSLLCVTTGAIIVSNDKRITMYDFQGNKRREWSMESPVQLMKVVGGMEGREILLVGLNGGQVMKVFVDNPFPTLLHKGTAPVKSAELSSSRSRLAVIDSTNTLQVLELGEKNELLFSEDNVTAVAFNIDVDDNIAFTTGDNTLHIKTGSLPAYQQAVRGIVVGFKANHVFNLHYSNMMVLDVPHAHALYKYVEMRDFDRAYEVACLGVADADWKMLGLHAMSQLRLDIARKAFTHIQDTKLVELLKSLELRRRQSGAEDGLSLTLGKASGTPDTVEGPENKGYGSTNGELAAARVAAKDSVLYGSILAFQGKYNDAARQFMKTGCELKAVEMYCDLKMWDNAKKICTDEKVLKDLIRQQARWAEESQNFVEAASLYESCGDYAKAIGMMGQAGQVEKLMKMCRSLPTSEVTLITECANFFRKHNAIPFAIEAYEKVQDHQALIGIYVAKGDWRNAFTILEKTPTLAREVYVPWATWLADNDKFDEALEAFRAAKWPKEAMRLMETLATNSVTCRKFRDAAFYYIHLAEEYGRFEETEKPTDVEKAARIRRSKECVRRADIYYAFSGVYAHTTQPLPYNELSLFRTAKYLFGMCAESAIPINVGKGAILYTLSRIANRLEMVRTARAVFEKLQGVILPVSMMEQVDIETLLVRSKPVKDRDELLDRCFRCNQLIAQLPMAGDRCPNCFHPCVRSFVNFECLPLVEFVLADELTDEEAERIIVSGVGRRRSADDENSKDHSDGADAKAKEWKSDNGANVISFDDGNIDYEIDQQLVAMGRSKAAANKGNDPFFTQLQYVLRPGRPTATYQPFVASADILKGFRRDEVFIVRPRYGTLPVPNRYYRLMRSDVSVCLCNGCQHFFIAEDYEAECMRGSGCPLCRYRPGKQVSRSMKQILFDMETAAAASKTSSAAAAL"
+  },
+  "DD0": {
+    "name": "DD0",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 1,
+    "sequence": "MQPSSSFLPDVWMAVTREPHIPEITPLSRILAAAAISTYSRQVEYDLDTGCKKKRTAPPPSPPPPSSPPPSPRLTLANAAAMTTTILRTNYALLLFYVREKYWHHAEEVCLSVIQSTDDHMFRVWRALTLERQGMANDAIREYKAVESRRTTAVPALMGMQLIYKHNRDQEGVAQTEAKLDGFEIAANMGGWVQAAALCWAMGDINAARDILLRFTDNEAAMAYRDEYTNYGTIRGWVDLLSGRGALLEKAGALFTSVMDMEEAQYSYFQADNESGSGSRGTTKWIDLNAALGYVAFLERKTQLAKAQSLLDRLFVLYPNCSIPPLVGKARLLMQAEDWEQAIEVTHRILAHDKSNVEALALEALYAMAKDTRHDAAPVRVRRLLDAVRAKEPRNVALLHQFALVFSRLAGDRLDLLSLTTQFSDMAYALDSRNGDVLCGLGYQQLYRHDDKAATETFRKAATLTDSLDPLLGTVTCLLRQGDMEAAATQLQLCNQLQPAAQRNAELSMLNAQLRWHRRGMEEETAVLRYLDQAAEAIKQDVKERAGVGMEVYVHLNAPVALAIAHAYIMHCRNEPPDPMFKHADVVGEKCGRHLEFIVQHLPACMEAQLMLAKVWFVTGEVRKAQNLLKSTLIVQEQPLPDAFLLSSQICQYMGDTKLACQALAQARTLDFSLQEKPLYNLLLGTVKGTTGEYAEALASLQRAYNTVKSAATAPSAGKPTNPLSVPETVTLYLQLAQAQLRVRDVDAARETLTEAALKFRGSAQIGRVIIAQAMLAARTDVDKSIELLRQVSSKSEFYIAAHSQLGKLFLTHKHNVAMYI"
+  },
+  "DD1": {
+    "name": "DD1",
+    "chain_names": [
+      "D"
+    ],
+    "start_res": 822,
+    "sequence": "QCFQEMAESVPSAQSYVELGEAYTTIQEPEQAIAAYEKAKALSPSSSELSVRVGRALVAAHDYAKAIRYYQDALVTDPHLSIVRADLATLQWRLGHIEEARETIVASPVYELPSTDGAGAGVASAAAAGSAEAVGTAIERINLYLLLYKVLRDQPWTVPLSEEGTAAADSDDNHGDAALTALLTARSLQRRLLEHQLRTTEAPEVITEQRVVMSRICTEAGARCIYSTPAPPPFSVVMTDKKVEAAAALAVQSAIASRLTNAREYLREAIAFDESNERAQLESAQLCYRTGDTEGCEQHCTTVLRMAEGSANTADAAILLANLYTEQNRDEDARNMFEDLLRKTPQHYEALVYYLILLYHAGQLPEAKEALERAAAAVPIGQRADPGLSYVRGLYEHLCNNNAEALRHFNLARLPAGNPWCTRALVRMIRIYLVPTTQDLWVRGTSPAAAAATAVADPPRAKEQQQKSATPGKVPLAAATTGSTELHDNIRHAEQLLLLLPVHSEERRILQAYCTMATRRPEELETALHLFLECIVAAETGGVSAAMTAEKNGGSGSPKKTAAEERKQPRRGKGGDSDDDEDLQLLASMHEAAAELAQRSSGNSTATLAFALQCKVIHPEAFLGLAICLFISGQETAARNVLARLLESKDITTKMSAMKQAEDKEDAASKDAASKEAAEPAAPMVLSPPIAILTCSEDDTIERAMLFEAYMDTQEGRLKDARFVLQQVLSANEGCSSAWNELGLIYERNQKHKNASQCYQKAWKLVQEADPDVGYKLGFNYLRGGQPVKAIDVCKRVLTHHATYPRIEADIMDAAYSMLRP"
+  },
+  "ED0": {
+    "name": "ED0",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 1,
+    "sequence": "MSLFVVNAPGHEGQLKEQLIVAHKRRPLLATAWVNPPSVLITNSEGEVLTQVADPPGSTGRTHQPTALTWHPNEELLVIGWSNGEMSLWSMPSVSSLALGEDYTTAAARSAVQLIAAKAATQSSAEGATREHASGAVVASEWSTRGLYLVSASQQRHVVMWMLEKIPAETSVTFKLKPLWSVQSREPVARIIHVPSKASHPSTAFKLNNGATAAAAAEGGDDDISFLLADGGTSVTAINEDQQLFPCVTQQEQIASVLYDAATRTLVTLTTTSMIEVYAVGEDIKGTSTLRRKLSAPATTPTVSTTTGERIAMSMVWASPGVVAFGSGDDRLRILDLSSGSLDVLLLPQPDLHVSSLATFAAKGTMIVGTVEGFLVVFQHHAASLLTSRHVSVARETVTSSSPFAPAATEASQWEAMTVHQVGKCVDRVVLTALGDVALCCGGSELQVLHEIIRKRAWDGVAAATQISSDMVVIESITGCQCLLQNKGNVHGVSIAFPNIALWNGSQIDFYMIDEATSEITFINFVLTTSPAFAIHREGLIYVKGNRIVFETMQLAPIAQMTFTESEGVPVIMDIMNDYLVVVSSKNYLRLARISTRDLQQLGPARPLTFPSILQPDAVEASSGASEMTPFVEDISTLEVSVSGARVNAQGRRVALMSTLGPLALPDTRIWVYDSDTDKMSFFDFGSRNEIPNSVYWNTPEPNTTTVGEFEYILLACETYQIHMDDKKSASEEAESPKACTDTTNDGNKIADHPVGQENLPEALPDMENYAEKKAELEDARRESVGTTNYVSQRPHNIVTFFATHDGLVLQNFAPLRRYQICLVGLT"
+  },
+  "ED1": {
+    "name": "ED1",
+    "chain_names": [
+      "E"
+    ],
+    "start_res": 828,
+    "sequence": "IPDFLLASVKINGDPNNAEDYVIEQKRLRDFEGLKSDKDVAVREALMKFSYYATIGNMDEAYRCVKSIKNPAAWQGLARLCVTSGRLDVAAVCLATMEDCVAARALREAKEDYPDDQDVQLATLALGLSMTEEAVELLRKSKRYDLLTDVYMACGKFEHAQRHSERFDRARIRPVAYKYAQFMESLQNMDAAIMWYYNAKCASTDVPRIFFQTNRMHELRQLMMIQSQPPSPTAGDSAQRPQPGIGEQQSTFATIFPQNRELLLWWAQHSERRHNVQEALRFYNAGEDVYNIVRILCSLTPPKLDSALQLVNKEMDKAKMRFQQQQAFAATASARFGDDDHGEPDPVGSAYFVAQLYERQGDDQLALQYYQAAGAYRSGVRVAWKMEQYGVVANLAMKSSDERLMLETAMALEKHQAYDKAVQLYRRIGAVQCALDACVQGGLYETLHEVSAAFASGSTDPAVFLGMADHFQSESDYQKAVEMLLFAKHFEEALKLCETQNATLTEEMAESMTSNIGELSMEERQAVLRRVAHIAKDQGRWSLACKKYTQAGDRVKAMRMLMRGGETEKVIFFANHSRNVEIYTMAANFLQSQNWSADANIYKSIVLFYTKAKAWMNLLAFYESCAQLHIDENRNYPEALRALEDCIAMAESVRGGKANIEMEKVEQLKQRVEILKAFVKAQKTVDSMVVAERGSVAEKAKADSVIACCSGLIKRSRPSSPDHSLIQDALRIGDVFALMVRFYFDKLGEPHNALKVMESMPKHGADPQLFIEADYMERVCQANGKSLANVLPGGIATEAPGAVWEGARKFSTDTRRSSVIDEVDRVV"
+  },
+  "FDF": {
+    "name": "FDF",
+    "chain_names": [
+      "F"
+    ],
+    "start_res": 1,
+    "sequence": "MVLTQQFVISNADLGRGHVVEALHPSSPLIALAGSKGRVLILNKTGKVEHQLPMQNVVAMEWECSTDTLAIITSSSSDVHLYTHRTRQTDTIDTKLKDLCFVCWSQSQPLFAIGSKSGQFVLYNRRTLRLVPVADTHKQRLISGMWVPAQDSRLLIISEDPSLSISDAEGKVLTTIPLPSVPKSVCVSGMANSPKSSSFAAVNLDNTLLIVDLRSYATAAGQFNSALGQITCLTAGINGEFLAGFASGTVALLDLAGSEVRLRGSLRLLKNAVEMVNFGEGSGVVAAVADNRVGLLRITEDGIAPTGDEASLESERGVPDLLAWSRDGQQLFVGTNQGNVTVFTLKVLNVSASYGTLVFSFTSNRTIGVKNLQDNRVVCTVPVNSDPAFISAGMAMLAAGVNNQVSYYEYFIPNSLPYPMVDPAKNVSQSSQQAHSVFLRTVEYPSPVTDLKVNSNLAAVVYDGRVQLSPIRDTPEAAAPVYFPESGDTRLVSIALSEVFFLYATTSRVSVYALHNLQQVATFTCNTGLKRAFANPACTRVAYVDDSSELFNVNLVTEVANKAEGYDPDQKMVLWDQAEATVFITYDSEKCATFVNTPHSRHGATCESVLVKDSSEDNLYTPLPPGYTPVTLFRGTVVCQTPNGTLETVPLQTHNNIFLRTPNAEAFYNNFSLNRLRWSSNNITSPQEAEDLAVKSLHMLDVELAIRVYRQLSQPSLVLCLEKIRHIHEKNLLLGHVSMIMGYMKDAQNFFLRSSQPLRALEMRRDMMQWERALTLAEQLAPEEVPIISRDYAQHLEYRGVYAKALEMYQKGLRQLPTGHASTELSVTVQEVERHNEQCRQGAARSQIRIGNIADAMKTVKESSEVSFVKECAKLCEENQKHEEAAQLYEKAGDIERAATIYIERCKNLKAAERLLPFIKSRNIIGIYARGKEAEGAFVEAEKAFAQAEDWDNAVRLRIEKLNDLHGAYVIVRQTRSANAAALVAKKCTAQKEYGTAVEFLVLAKSLDEAFELAKTHDCMFNFESALLNQVQLKDGIAPLSNQADFTMIAEYYDNDGKAGQAGMYYHISGHYAKALNKYLESGQPEDIEKAVEVVGKAHSDSLTNKFIDYLMGETDGEPKDPSYIFKLYLAMGSYEKAAKTSVIISAKEQEIGNYKSAHKTLVEAYRILQQRNMHVSNDLRRALMLLHSYIIVKDLLKIMKDDDTACRMLLRVSRNIQKFPKHITTIVTTTVLQCLKSNFKKSAFEYACYLIQNEKHRAEMTEKSRKKIEGIVRRHSKDDAVDPVEPMLPCPYCDAPVAETELDCGACKNTIPFCIVTGKHIVKSDYTSTPCCGFPAIYSALMTRLSGTLTCPMCEATIDISNVNRETNPELKALL"
+  }
+}