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 3KVK Chain:A ((72-385)) MLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMG-FGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGL-SVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVL--GPLADYLVVNVSSPN--TAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGA---LRSETGGLSGKPLRDLSTQTIREMYALTQG-RVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIG--------------

General information: TITO was launched using: RESULT: Template: 3KVK.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 : 1723 -158505 -91.99 -552.28 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -91.99 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_3KVK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KVK-query.scw PDB file : Tito_Scwrl_3KVK.pdb: