Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSITAIFFDLDGTLVDSSIGIHNAFTYTFKELGVPSPDAKTIRGFMGPPLESSFATCLSKDQISEAVQIYRSYYKAKGIYEAQLFPQIIDLLEELSSS-YPLYITTTKNTSTAQDMAKNLEIHHFFDGIYGS---SPEAPHKADVIHQALQTHQLVPQQAIIIGDTKFDMLGARETGIQKLAVTWGFGEQADLLNYQ-PDYIAHKPLEVLAYFQ 2YY6 Chain:A ((3-199)) -----VILFDLDGTLIDSAKDIALALEKTLKELGLEEYYPDNVTKYIGGGVRALLEKVLKDKFREEYVEVFRKHYLENPVVYTKPYPEIPYTLEALKSKGFKLAVVSNKLEELSKKILDILNLSGYFDLIVGGDTFGEKKPSPTPVL-KTLEILGEEPEKALIVGDTDADIEAGKRAGTKTALALWGYVK----LNSQIPDFTLSRP--------

General information: TITO was launched using: RESULT: Template: 2YY6.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 : 1011 -29137 -28.82 -151.76 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -28.82 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_2YY6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YY6-query.scw PDB file : Tito_Scwrl_2YY6.pdb: