Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEVKLPGLDLKNPIIPASGCFGFGKEFSRFYDLSCLGAIMIKATTKEPRFGNPTPRVAE--TGAGMLNAIGLQNPGLDSVLHHELPWLEQFDT-------PIIANVAGSQV-----DDYVEVAEHISKAPNVHALELNISCPNVKTGGI-AFGTNPEMAADLTKAVKE------VSDVPVYVKLSPNVA--NITEIALAIEEAGADGLTMINTLIGMRLDLKTGKPILANKTGGLSGPAVKPVA---IRMVYEVSQMVNIPIIGMGGVQTAEDALEFLLAGASAVAVGTA-NFVNPFACPEIIEQLPSVLLQYGYQSIEECIGRSWNHEKQPAHHRA 4JGD Chain:A ((72-385)) MLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMG-FGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGL-SVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVL--GPLADYLVVNVSSPN--TAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGA---LRSETGGLSGKPLRDLSTQTIREMYALTQG-RVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIG--------------

General information: TITO was launched using: RESULT: Template: 4JGD.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 : 1719 -154399 -89.82 -537.97 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -89.82 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_4JGD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JGD-query.scw PDB file : Tito_Scwrl_4JGD.pdb: