Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIWINGAFGSGKTQTAFELHRRLNPSYVYDPEKMGFALRSMVPQEIAKDDFQSYPLWRAFNYSLLASLTDTYRGILIVPMTIVHP-------EYFNEIIGRLRQEGRIV----------HHFTLMASKETLLKRLRTRAEGKNSWAAKQIDRCVEGLSSPIFEDHIQTDNLSIQDVAENIAARAELPLDPDTRGSLRRFADRLMVKLNHIRIK 2GRJ Chain:A ((14-148)) -VIGVTGKIGTGKS-TVCEILKNKYGAHVVNVDRIGHEVLEEVKEKLVELFGGSVLEDGKVNRKKLAGIVFESRENLKKLELLVHPLMKKRVQEIINKTSGLIVIEAALLKRMGLDQLCDHVITVVASRETILKRNR-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GRJ.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 : 394 -55264 -140.26 -468.33 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -140.26 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.237

(partial model without unconserved sides chains): PDB file : Tito_2GRJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GRJ-query.scw PDB file : Tito_Scwrl_2GRJ.pdb: