Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAEEQSKIREAAAGTIFLLIGTVCFASKSIWIKWAYQMGAEPDAVLLYRQLLAVPLFWLIFLIYRPPMPDGKKKGDLWKACGAGVFCFFLSPLLDFIG-------LNHVSAMVERILLMSYPLFVFGFTACRDRKMSS-IQDLFAVLAVMFGLFLALG-GWNAELFQANMIGAVFILLSSAVYAGYLVLSGHLVHQIGGIRLN-AYGMTAAGAAMMLYTGIKSAAGMNTPMAAYPLSMY-----GL-----FAVIAVVTTVIPFVLMLEGIKRIGAQRAAAISMAGPILTIFYGALF---LGERLGLIQVI-------GCGGVFFVITGMEYRKLKTGKKE--- 4N5H Chain:X ((1-315)) MADEEAMLAKVQASWAQTAARDKARYADERVPEDVHWETE--------YRYEQSADPQQTLNLYYPAKRRNAT-----------------MPTVIDIHGGGWFYGDRNLNRNYCRYLASQGYAVMGMGYRLLPDVDLRGQIQDIFASLRWLSHFGPQRGFDLDHVLLTGDSAGGHLASLVACIQQ-----SAELQELFGVSRVNFNFTLVALVCPVAEPSKLPEAAGDMSDMAAFYLDKLSGGDQALVDHLNFSQVVKGLDLPPFMLIGGQNDSFYLQSQALLKVFDANHVTYTTKLWPASAGPHLKHVFNVQHWEWPESIETNLEMLRTFDALSKQQDQAEENE

General information: TITO was launched using: RESULT: Template: 4N5H.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1461 -226647 -155.13 -803.71 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain X : 0.64 3D Compatibility (PKB) : -155.13 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.137

(partial model without unconserved sides chains): PDB file : Tito_4N5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4N5H-query.scw PDB file : Tito_Scwrl_4N5H.pdb: