Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQERKVALVTGASRGIGAAIAQQLIQDGYFVVGTATSESGAQKLTDSFGEQGAGLALDVRNLDEIEAVVSHIEQNYGPVLVLVNNAGITKDNLLLRMSEDDWDDILNIHLKAVYRLSKRVLKGMTKARFGRIINISSVVAHFANPGQANYSAAKAGIEAFSRSLAKEMGSRQITVNSVAPGFIATEMTDALSEDIRKKMSDQVALNRLGEPQDIANAVSFLASDKAGYITGTVLHVNGGLYMA 4WK6 Chain:B ((8-249)) MNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYLGDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVASVVGTM----QANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMY--

General information: TITO was launched using: RESULT: Template: 4WK6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1277 -145162 -113.67 -609.92 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.89 3D Compatibility (PKB) : -113.67 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_4WK6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WK6-query.scw PDB file : Tito_Scwrl_4WK6.pdb: