Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKQIHPLILFSFFGIMMFILIINRPLNDSQSFKTKSNIAQIEAQALKHLDKPIIDLSGWQRPEEI-NYDALS--QNISGAIVRVHSGTQTTKENDASFINGIDKAYKSHITELQKRNVPVAVYAYVAGKSVQEMEKAAEVFYNAASPYS--PS-YYWLDVEDKTM-----------SNMNEGVENFRAKLASLGAKNIGIYVGVYFMEEHSID-TGKFTSVWIPSYGSDSGFLESSPKTDLDYDIHQYTSKGKIAGFDHDLDINVISPLKNKEETFRKLFLKP 2WWD Chain:A ((265-468)) -----------------------------------------------TEHAKKIIDISEHNG--RINDWKKVIDENEVDGVIVRLGYS-GK-----------EDKELAHNIKELNRLGIPYGVYLYTYAENETDAENDAKQTIELIKKYNMNLSYPIYYDVENWEYVNKSKRAPSDTDTWVKIINKYMDTMKQAGYQNVYVYSYRSLLQTRLKHPDILKHVNWVAAYTNALEW---ENPYYSGEKGWQYTSSEYMKGIQGRVDVSVWY----------------

General information: TITO was launched using: RESULT: Template: 2WWD.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 : 851 16052 18.86 86.30 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 18.86 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_2WWD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WWD-query.scw PDB file : Tito_Scwrl_2WWD.pdb: