Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMAKENTQQKEIKRQPAVELAVFNLNSVTDVADLQMIASQVQLYLQVCGSTTLEQIKSKANITTVANIFALTGSVLDLMLYATDKKTGDAAVQRGALLAANLIGLFSEPNNEAHARMALRPMFGLMAECLYRENGKIKETDIKRLGLHFNAMIAGDLENFLKETQAKLSSLLISATTLGVTILQSMATPATGINAGITTAAGASAEKRDPKLKFTNWAVPLIDLLGKPSQANLTPKIQPNITSRLQQEATQAIAALSQTLQQQANAGQKYTLAWLLQETLKAIQALENKGNASVPVNQTGEYERHTKGDTLEFVSLQADALNAPPCEGADSQSGKSISYSIGAERVQHADFYLPKIGFSFIRQYNSQMDEFDQSMVGARWMMPFSNMIQRTAQGYLFIDSKGRKHQLPASIIFETYEVPYEGIIVQPLKNGDLVLNFGGDWTFQFHQFSVGQPYQLIQQFNEKTQEKIDLSYLIFEKVAYLQCVNFQLEHAKHQLKFAFNEQVKIMAVFLDDNAEPLAHYDYDTQGNLIKAIDQNGHTRTYEYNYFHQLTRYTDRTGRGQNIRYESTDAKAKAIEEWADDGSFHTKLKWHPRLRQVAVYDAYDVPTYYYFDLNGFTYRTRLADGRESWYSRDGKKRITRQIDFEGRETQQEYNDQDQLVKIVQPNGGII----RFEYNEQGNLVEIKDP------------------EGSIWKREYDENRNVSKEINPLGHITQYKYNNDNQLVEVIDAKGGVKKIQYNELGQMISYTDCS---GKSSIWEYDEDGVLTAEQT---------AKNKVVQYFYSTKGRDKGQLQSIIYPDGL-----------KEYFEHDEEGRLLKHIDTKGLVTEYKYNQVGLLEQRIDANRHSVTYQWDK---QGRIQKLINQN----------------QAEYLFGYNPYGYLIREQAFDGEEKHYSYNENGRLFKIRQP----NTLTEFDYYADGQIASKSFTHLHTGQKQTEQFDYNLNSQLSRASNEVS-QIDFYRNALGQLVREHQHYKIPELKPLTAVLHYEYDELGNLIKTIRPDGHTLNHLVYGS-GHIYAIGLNN------QEVVSFQRDDLHRETTRLLANG-----------LMQTKQYNDVGLLSSQFIQPEQETQ--------------DYLQYQAHRKYHYDKNYLLSQVEDSRLGKLNYQYDPI-------GRLIAAQ--SLHKTESFNFDPAGNLIDSDSVLSPAQIKNNLIKSYKGKHYQYDVQGNVTEIIQ-------AGKNLKLTWDNQNRLIRSDNNGLVTEYGYDVFGRRLYKKTTNELTLFGWDGDLMIWESFKSAQTNYTKHYIYEPDSFVPLLQTGYKDLIQLIETPDYQEYQTKPYSIYKDPVWNSTTRKKRADLEQITFYHCDQVGIPQTMTNIRGECVWEILQDTWGAVSQIKALNQDNPFEQNNLRFQGQYYDQETELHYNRYRYYEPHSARYVSKDPIGLEGGMNTSSYVSDPNQWIDPKGLNSFNYGEMFGIPASAQSGLAYQGQRNYECYAETGELCKIKVPPLFDYVACSGGGLGIGVGFVKNQWTGEYYISGSKDSLLIPVAKSVAQNKQFSAKDLAGASCVGGNIHNIPSYTKTTMAMGEITNEFVSGASVTVGGGAYGAVANVVVPLVSKSSPVKGTWASELGVGTPGFNVGVSGTVSVDTILDAVKPSKK 4O9X Chain:A ((1376-2020)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QVVFSDGFGRLLQAAARHEAGMARQRNEDGSLIINVQHTENRWAVTGRTEYDNKGQPIRTYQPYFLNDWRYVSNDSARQEKEAYADTHVYDPIGREIKVITAKGWFRRTLFTPWFTVNEDENDTAAEV--------------DPKLYQKTPTVSVYDNRGLIIRNIDFHRTTANGDPDTRITRHQYD----IHGHLNQSIDPRLYEAKQTNNTIKPNFLWQYDLTGNPLCTESIDAGRTVTLNDIEGRPLLTVTATGVIQTRQYETSSLPGRLLSVAEQTPEEKTSRITERLIWAGNTEAEKDHNLAGQCVRHYDTAGVTRLESLSLTGTVLSQSSQLLIDTQEANWTGDNETVWQNMLAD-----DIYTTLSTFDATGALLTQTDAKGNIQRLAYDVAGQLNGSWLTLK--GQTEQVIIKSLTYSAAGQKLREEHGNDVITEYSYEPETQRLIGIKTRRPSDTKVLQDLRYEYDPVGNVISIRNDAEATRFWHNQKVMPENTYTYDSLYQLISATGREMANIGQQSHQFPSPALPSDNNTYTNYTRTYTYDRGGNLTKIQHSS-PATQNNYTTNITVSNRSNRAVLSTLTEDPAQVDALFDAGGHQNTLIS----------------GQNLNWNTRGELQQVTLVKRDKGANDDREWYRYSGDGRRMLKINE-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4O9X.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 : 2136 132093 61.84 256.99 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 61.84 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.205

(partial model without unconserved sides chains): PDB file : Tito_4O9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O9X-query.scw PDB file : Tito_Scwrl_4O9X.pdb: