Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAFTLYPAIDMRNGKCVRLVQGDYNKETIYGDSPYDMAELFEKEGAEWIHLVDLDGAKEGKRVNDRHVIEIAQKLNLKVEIGGGIRSENDVYEYLSAGVERVILGSSAVSNPPFVKKMLKQYGEKIAIGLDAR----NGFVSTEGWLETSTLKATELGKELANEGAEVFIFTDIATDGMLSGPNVKSTVELAKETGKSVIASGGVSSVADLEALARNEADGVSGAIIGKALYTNQFTLSEALERVKRK 2Y85 Chain:D ((3-243)) ---LILLPAVDVVEGRAVRL---------EYG-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 D - contact count / total energy / energy per contact / energy per residue : 1349 -80417 -59.61 -352.71 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain D : 0.83 3D Compatibility (PKB) : -59.61 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.691

(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: