Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKALVAVKRVVDANVKVRVKPDNSGVDLTNVKMSINPFCEIAVEEAVRLKEKG-TVSEIVVVSIGPKEAQEQIRSAMALGADRGILV--ETTDEIGALEVAKILKGVVDAEKPELILLGKQAIDDDSNQVGQMLGALLGAGQGTFASEVKVDGG--KVQVTREIDGG-LQTVELALPAIITTDLRLNEPRYAALPNIMKARKKPLDTKSPADYGVTAGTKLKTIKVEAPAERKAGVQVKSVDELVEKLKNEAKVI 3CLS Chain:C ((1-217)) MKILVAVKQTAALEEDFEIREDGMDVDEDFMMYDLNEWDDFSLEEAMKIKESSDTDVEVVVVSVGPDRVDESLRKCLAKGADRAVRVWDDAAEGSDAIVVGRILTEVIKKEAPDMVFAGVQSSDQAYASTGISVASYLNWPHAAVVADLQYKPGDNKAVIRRELEGGMLQEVEINCPAVLTIQLGINKPRYAS--------TKPIEEVSLADIGLSA--------------------------------------

General information: TITO was launched using: RESULT: Template: 3CLS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1082 -13592 -12.56 -66.96 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : -12.56 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_3CLS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CLS-query.scw PDB file : Tito_Scwrl_3CLS.pdb: