Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMAKENTQQKEIKRQPAVELAVFNLNSVTDVADLQMIASQVQLYLQVCGSTTLEQIKSKANITTVANIFALTGSVLDLMLYATDKKT-----GDAAVQRGALLAANLIGLFSEPNNEAHARMALRPMFGLMAECLYRENGKIKETDIKRLGLHFNAMIAGDLENFLKETQAKLSSLLISATTLGVTILQSMATPATGINAGITTAAGASAEKRDPKLKFTNWAVPLIDLLGKPSQANL-TPKIQPNITSRLQQEATQAIAALSQTLQQQANAGQKYTLAWLLQETLKAIQALENKGNASVPVNQTGEYERHTKGDT--LEFVSLQADALNAPPCEGADSQSGKSISYSIGAERVQHADFYLPKIGFSFIRQYNSQMDEFDQSMVGARWMMPFSNMIQRTAQGYLFIDSKGRKH-QLPASIIFETYEVPYEGIIVQPLK----NGDLVLNFGGDWTFQFHQFSVGQPYQLIQQFNEKTQE--KIDLSYLIF---EKVAYLQCVNFQLEHAKHQLKFAFNEQVKIMAVFLDDNAEPLAH------YDYDTQGNLIKAIDQN--------GHT-------RTYEYNYFHQLTRYTDRTGRGQNIRY-ESTDAKAKAIEEWADDGSFHTKLKWHPR---LRQVAVYDAYDVPTYYYFDLNGFTYRTRLADGRESWYSRDGKKRITRQIDFEGRETQQEYNDQDQLVKIVQPNG--GIIRFEYNEQGNLVEIKDPEGSIWKREYDENRNVSKEINPLGHITQYKYNNDNQLVEVIDAKGGVKKIQYNELGQMISYTDCSGKSSIWEYDEDGVLTAEQTAKNKVVQYFYSTKGRDKGQLQSIIYPDGLKEYFEHDEEGRLLKHIDTKGLVTEYKYNQVGLLEQRIDANRHSVTYQWDKQGRIQKL-INQNQAEYLFGYNPYGYLIREQ-AFDGEEKHYSYNENGRLFKIRQPNTLTEFDYYADGQIASKSFT-HLHTGQKQTEQFDYNLNSQLSRASNEV--SQIDFYRNALGQLVREHQHYKIPELKPLTAVLHYEYDELGNLIKTIRPDGHTLNHLVYGSGHIYAIGLNNQEVVSFQRDDLHRETTRLLANGLMQTKQYNDVGLLSSQFIQPEQETQDYLQYQAHRKYH-----YDKNYLLSQVEDSRLGKLNYQYDPIGRLIAAQSLHKTESFNFDPAGNLIDSDSVLSPAQIKNNLIKSYKGKHYQYDVQGNVTEIIQAGKNLKLTWDNQNRLIRSDNNGLVTEYGYDVFGRRLYKKTTNELTLFGWDGDLMIWESFKSAQTNYTKHYIYEPDSFVPLLQTGYKDLIQLIETPDYQEYQTKPYSIYKDPVWNSTTRKKRADLEQITFYHCDQVGIPQTMTNIRGECVWEILQDTWGAVSQIKALNQDNPFEQNNLRFQGQ-----YYDQETELHYNRYRYYEPHSARYVSKDPIGLEGGMNTS----SYVSDPNQWIDPKGLNSFNYGEMFGIPASAQSGLAYQGQRNYECYAETGELCKIKVPPLFDYVACSGGGLGIGVGFVKNQWTGEYYISGSKDSLLIPVAKSVAQNKQFSAKDLAGASCVGGNIHNIPSYTKTTMAMG-EITNEFVSGASVTVGGGAYGAVANVVVPLVSKSSPVKGTWASELGVGTPGFNVGVSGTVSVDTILDAVKPSKK 5M3F Chain:A ((1-1662)) ---------MDISKPVGSEITSVDFGILTAKEIRNLSAKQIT------NPTVLDNLGH-----------PVSGGLYDLALGAFLRNLCSTCGLDEKFCPGHQGHIELPVPCYNPLFFNQLYIYLR------ASCLFCHHFRLKSVEVHRYACKLRLLQYGLIDESYKLDEITLSSTLLNELKSKRSEYVDMAIAKALSDGRTTERGSFTATVNDERKKLVHEFHKKLLSRGKCDNCGMFSPKFRKDGFTKIFETALN-----EKQITNNRVKGSTYILSTEVKNILDTVFRKEQCVLQYVFHSRPNLSRKLVKADSFFMDVLVVPPTRFRLPSKLGEEVHEN---SQNQLLSKVLTTSLLIRDLNDDLSKLQKDKVSLEDRRVIFSRLMNAFVTIQNDVNAFIDSTKAQGRTSGKVPIPGVKQALE-KKEGLFRKHMMGKRVNYAARSVISPDPNIETNEIGVPPVFAVKLTYPEPVTAYNIAELRQAVINGPDKWPGATQIQNEDGSLVSLIGMSVEQRKALANQLLTPSSNVSTHTLNKKVYRHIKNRDVVLMNRQPTLHKASMMGHKVRVLPNEKTLRLHYANTGAYNADFDGDEMNMHFPQNENARAEALNLANTDSQYLTPTSGSPVRGLIQDHISAGVWLTSKDSFFTREQYQQYIYGCIRPEDGHTTRSKIVTLPPTIFKPYPLWTGKQIITTVLLNVTPPDMPGINLISKNK---IKNEYWGKGSLENEVLFKDGALLCGILDKSQYGASKYGIVHSLHEVYGPEVAAKVLSV--LGRLFTNYITATAFTCGMDDLR--LTAEGNKWRTDILKTSVDTGREAAAEVTNLDKD------TPADDPELLKRLQEILRDNNKSGILDAVTSSKVNAITSQVVSKCVPDGTMKKFPCNSMQAMALSGAKGSNVNVSQIMCLLGQQAL----EGRRVPVMVSGKTLPSFKPYETDAMAGGYVKGRFYSGIKPQEYYFHCMAGREGLIDTAVKTSRSGYLQRCLTKQLEG---------------VHVSYD------NSIRDADGTLVQFMYGGDAIDITKESHMTQFEFCLDNYYALLKKYNPSALIEHLDVESALKYSKKTLKYRKKHSKEPHYKQSVKYDPVLAKYNPAKYLGSVSENFQDKLESFLDKNSKLF--------------KSSDGVNEKKFRALMQLKYMRSLINPGEAVGIIASQSVGEPSTQMANVTLGIPRLREIVMTASAAI----------------KTPQMTLPIWNDVS--DEQADTFCKSISKVLLSEVIDKVIVTERSYVIHMRFFDNNEYSE----EYDVSKEELQNVISN------QFIHLLEAAIVKEIKKQKKVQRDRQSAIISH-HRFITKYNFDDESGKWCEFKLELAADTEKLLMVNIVEEICRKSIIRQIPHIDRCVHPEPENGKRVLVTEGVNFQAMWDQEAFIDVDGITSNDVAAVLKTYG--------------------VEAARNTIVNEINNVFSR------------------YAISVSFRHLDL-IADMMTRQGTYLAFNRQGM----------ETSTSSFMKMSYETTCQFLTKAVLD----------NEREQLDSPSARIVVGKLNNVGTGSFDVLAKVPN----------------

General information: TITO was launched using: RESULT: Template: 5M3F.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 6011 290909 48.40 208.69 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 48.40 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.123

(partial model without unconserved sides chains): PDB file : Tito_5M3F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5M3F-query.scw PDB file : Tito_Scwrl_5M3F.pdb: