Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence KKGDCFMGLYEAGGRNPNHIIGQETPDDSGIFELRRENGSVIQVKVKKCQLVAYWGWVPLGQELRVFPSVGYDAKRKTAPLPSLSPNRHSGQGLKVRGANTWIAF 1XUA Chain:A ((104-158)) ------------GAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQ----PIPTWTALGRDAELLKALG----------------------------------

General information: TITO was launched using: RESULT: Template: 1XUA.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 : 95 -7579 -79.77 -137.79 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -79.77 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_1XUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XUA-query.scw PDB file : Tito_Scwrl_1XUA.pdb: