Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAFTLYPAIDMRNGKCVRLVQGDYNKETIYGDSPYDMAELFEKEGAEWIHLVDLDGAKEGKRVNDRHVIEIAQKLNLKVEIGGGIRSENDVYEYLSAGVERVILGSSAVSNPPFVKKMLKQYGEKIAIGLDAR----NGFVSTEGWLETSTLKATELGKELANEGAEVFIFTDIATDGMLSGPNVKSTVELAKETGKSVIASGGVSSVADLEALARNEADGVSGAIIGKALYTNQFTLSEALERVKRK 2Y85 Chain:A ((3-243)) ---LILLPAVDVVEGRAVR---------TEYG-SAVDAALGWQRDGAEWIHLVDLDAAF-GRGSNHELLAEVVGKLDVQVELSGGIRDDESLAAALATGCARVNVGTAALENPQWCARVIGEHGDQVAVGLDVQIIDGEHRLRGRGW-ETDGGDLWDVLERLDSEGCSRFVVTDITKDGTLGGPNLDLLAGVADRTDAPVIASGGVSSLDDLRAIATLTHRGVEGAIVGKALYARRFTLPQALAAVR--

General information: TITO was launched using: RESULT: Template: 2Y85.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 : 1314 -73115 -55.64 -320.68 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -55.64 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.670

(partial model without unconserved sides chains): PDB file : Tito_2Y85.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y85-query.scw PDB file : Tito_Scwrl_2Y85.pdb: