Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQERKVALVTGASRGIGAAIAQQLIQDGYFVVGTATSESGAQKLTDSFGEQGAGLALDVRNLDEIEAVVSHIEQNYGPVLVLVNNAGITKDNLLLRMSEDDWDDILNIHLKAVYRLSKRVLKGMTKARFGRIINISSVVAHFANPGQANYSAAKAGIEAFSRSLAKEMGSRQITVNSVAPGFIATEMTDALSEDIRKKMSDQVALNRLGEPQDIANAVSFLASDKAGYITGTVLHVNGGLYMA 3RRO Chain:A ((8-250)) MNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYLGDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMYM-

General information: TITO was launched using: RESULT: Template: 3RRO.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 : 1345 -130792 -97.24 -538.24 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -97.24 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_3RRO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RRO-query.scw PDB file : Tito_Scwrl_3RRO.pdb: