Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPELQRSITWIQGTALTIGAVLGCGILILPSVTADTAGPASLFVWVFMSFLSFFLVGTLARLVKIAPSAGGITAYVQLAFQKKAGAILGWIMLGSVPIGVPIIALTGAHYVSYITEAAD-----WQITLIAGCMLAISILLHMRGIQLSANISTLVICVIVFLLVTSIAVSLPHVTIAEFKPFLPHGWSAAGSV-SVMIFFSFVGWEMITPLAEEFHRPEKDVPLSLFLAASCVAGLYIMLSFVTVGTHSYGE----NGEIASLAMLISKGAGESG--VYVTVCLALFITFATIHANIAGFSRMVYALAREGHIPVFFGKLSATKRTPIRVLTAMAAVFGLVLAAHGL----FQIDLTTLLKGPSAAFIASYICTMAAALKLLGRR-------------DIGWWMALGAFVACAVIYS----------------FSGWALLYPAVLAAAGYFYMKTKGGHKKKLDHVL 4DJK Chain:A ((12-501)) -------QLTLLGFFAITASMVMA--VYEYPTFATS---GFSLVFFLLLGGILWFIPVGLCAAEMATVDGWGVFAWVSNTLGPRWGFAAISFGYLQIAIGFIPMLYFVLGALSYILKWPALNEDPITKTIAALIILWALALTQFGGTKYTARIAKVGFFAGI----LLPAFILIALAAIYLHTFFPDFSKVGTLVVFVAFILSYMGVEASATHVNEMSNPGRDYPLAMLLLMVAAICLSSVGGLSIAMVIPGNEINLSAGVMQTFTVLMSHVAPEIEWTVRVISALLLLGVLAEIASWIVGPSRGMYVTAQKNLLPAAFAK-MNKNGVPVTLVISQLVITSIALIILTNTGGGNNMSFLIALALTVVIYLCAYFMLFIGYIVLVLKHPDLKRTFNIPGGKGVKLVVAIVGLLTSIMAFIVSFLPPDNIQGDSTDMYVELLVVSFLVVLALPFILYAVHFFLHPRARSP-

General information: TITO was launched using: RESULT: Template: 4DJK.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 : 2084 -392984 -188.57 -967.94 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -188.57 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.327

(partial model without unconserved sides chains): PDB file : Tito_4DJK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DJK-query.scw PDB file : Tito_Scwrl_4DJK.pdb: