Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHVETKLAQIGNRSDEVTGTVSAPIYLSTAYRHRGIGESTGFDYVRTKNPTRQLVEDAIANLENGARGLAFSSGMAAIQ-TIMALFKSGDELIVSSDLYGGTYRLFENEWKKYGLTFHYDDFSDEDCLRSKITPNTKAVFVETPTNPLMQEADIEH-IARITKEHGLLLIVDNTFYTPVLQRPLELGADIVIHSATKYLGGHNDLLAGLVVVKDERLGEEMFQH-QNAIGAVLPPFDSWLLMRGMKTLSLRMRQHQANAQELAAFLEEQEEISDVLYPGK----------------GGMLSFRLQKEEWVNPFLKALKTICFAESLGGVESFITYPATQTHMDIPEEIRIANGVCNRLLRFSVGIEHAEDLKEDLKQALCQVKEGAVSFE 1PFF Chain:A ((3-327)) --------------------------------------------------------LEGKIAKLEHAEACAATASGMGAIAASVWTFLKAGDHLISDDCLYGCTHALFEHQLRKFGVEVDFIDMAVPGNIEKHLKPNTRIVYFETPANPTLKVIDIEDAVKQARKQKDILVIVDNTFASPILTNPLDLGVDIVVHSATKYINGHTDVVAGLVCSRADIIAKVKSQGIKDITGAIISPHDAWLITRGTLTLDMRVKRAAENAQKVAEFLHEHKAVKKVYYPGLPDHPGHEIAKKQMKMFGSMIAFDVDGLEKAKKVLDNCHVVSLAVSLGGPESLIQHPASMTHAGVPKEEREAAGLTDNLIRLSVGCENVQDIIDDLKQAL-----------

General information: TITO was launched using: RESULT: Template: 1PFF.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 : 1786 -218740 -122.47 -714.84 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -122.47 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_1PFF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PFF-query.scw PDB file : Tito_Scwrl_1PFF.pdb: