Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSKGFTLLEVMVALAIFAVAAVALTKVAMQYTQST--SNAILRTKAQFVAMNEVAMMEINQEWLQGTQSKQVTSQGETWQIDKSAQSTISPNVQKIDLQVSLYDLDKGKVQNGITHMVFFNYPVKAK 5KUA Chain:A ((1-71)) -----FTLIELMIVIAIVGILAAVALPAYQDYTARAQVSEAILLAEGQKSAVTEYYLN--HGEWPGDNSSAGVATSAD--------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5KUA.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 : 98 998 10.18 14.46 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 10.18 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.012

(partial model without unconserved sides chains): PDB file : Tito_5KUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KUA-query.scw PDB file : Tito_Scwrl_5KUA.pdb: