Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEVKLPGLDLKNPIIPASGCFGFGKEFSRFYDLSCLGAIMIKATTKEPRFGNPTPRVAE--TGAGMLNAIGLQNPGLDSVLHHELPWLEQFDT-------PIIANVAGSQV-----DDYVEVAEHISKAPNVHALELNISCPNVKTGGIAFGTNPEMAADLTKAVKE------VSDVPVYVKLSPNVA--NITEIALAIEEAGADGLTMINTLIGMRLDLKTGKPILANKTGGLSGPAVKPVA---IRMVYEVSQMVNIPIIGMGGVQTAEDALEFLLAGASAVAVGTA-NFVNPFACPEIIEQLPSVLLQYGYQSIEECIGRSWNHEKQPAHHRA 4OQV Chain:A ((46-363)) MLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMG-FGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGL-SVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVL--GPLADYLVVNVSSP----------GKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGA---LRSETGGLSGKPLRDLSTQTIREMYALTQG-RVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHR----------

General information: TITO was launched using: RESULT: Template: 4OQV.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 : 1662 -167563 -100.82 -592.10 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -100.82 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_4OQV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OQV-query.scw PDB file : Tito_Scwrl_4OQV.pdb: