Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIRVILIDDEQTILDGMKQLINWSEHGFQLIGTFSSPLKALDFSLVHAIDIVVTDVMMPELNGIELSRLLKQQQPETQILILSSYDEFDMVKDSFKEGVADYLLKPRLSPDFFLNSLTAVSQKIKKKPNKSPITNRYEQICENLSQQIAGQTRPLLDPLLFEHTLFFCYIPKNGHSVQNKALNKNSRSPIH 4QYW Chain:A ((4-119)) ---RVLIVDDAAFMRMMLKDII--TKAGYEVAGEATNGREAVEKYKELKPDIVTM-ITMPEMNGIDAIKEIMKIDPNAKIIVASAMGQQAMVIEAIKAGAKDFIVKP-FQPSRVVEALNKVS----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QYW.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 : 587 -89513 -152.49 -778.37 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -152.49 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.629

(partial model without unconserved sides chains): PDB file : Tito_4QYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QYW-query.scw PDB file : Tito_Scwrl_4QYW.pdb: