Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIFYDKDCDLSIIQSKKVAIIGYGSQGHAHALNLKDSGVDVTVGLRAGSASWKKAENAGLKVAEVPAAVKQADLVMILTPDEFQSQLYRDVIEPNIKEGATLAFAHGFSVLYNQVVPRKDLDVIMVAPKAPGHTVRSEFQRGSGVPDLIAIHQDASGNARNVALSYASGVGGGRTGIIETSFREETETDLFGEQAVLCGGAVELVKMGFETLVEAGYAPEMAYFECLHELKLIVDLMFEGGIADMNYSVSNNAEYGEYVTGPEVINEQSREAMRNALKRIQSGEYAKMFIQEGALNYPSMTARRRQNAAHGIEQTGAKLRAMMPWIQANKIVDKEKN 4KQW Chain:A ((14-338)) --ILYEQDVDPKVIQGLKVGIIGYGSQGHAHALNLMDSGVDVRVGLREGSSSWKTAEEAGLKVTDMDTAAEEADVIMVLVPDEIQPKVYQEHIAAHLKAGNTLAFAHGFNIHYGYIVPPEDVNVIMCAPKGPGHIVRRQFTEGSGVPDLACVQQDATGNAWDIVLSYCWGVGGARSGIIKATFAEETEEDLFGEQAVLCGGLVELVKAGFETLTEAGYPPELAYFECYHEMKMIVDLMYESGIHFMNYSISNTAEYGEYYAGPKVINEQSREAMKEILKRIQDGSFAQEFVDDCNNGHKRLLEQREAINTHPIETTGAQIRSMFSWI-----------

General information: TITO was launched using: RESULT: Template: 4KQW.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 : 1477 -169190 -114.55 -520.58 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -114.55 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.628

(partial model without unconserved sides chains): PDB file : Tito_4KQW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KQW-query.scw PDB file : Tito_Scwrl_4KQW.pdb: