Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKTILLVDDEVEITDIHQRCLIQAGYQVLVAHDGLEALELFKKKPIDLIITDVMMPRMDGYDLISEVQYLSPEQPFLFITAKTSEQDKIYGLSLVADDFIAKPFSPRELVLRVHNILRRLHRGGET---ELISLGNLKMNHSSHEVQIGEEMLDLTVKSFELLWILASNPERVFSKTDLYEKIWKEDYVDDTNTLNVHIHALRQELAKYSSDQTPTIKTVWGLGYKIEKPRGQT 2OQR Chain:A ((4-229)) -ATSVLIVEDEESLADPLAFLLRKEGFEATVVTDGPAALAEFDRAGADIVLLDLMLPGMSGTDVCKQLRAR-SSVPVIMVTARDSEIDKVVGLELGADDYVTKPYSARELIARIRAVLRRGGDDDSEMSDGVLESGPVRMDVERHVVSVNGDTITLPLKEFDLLEYLMRNSGRVLTRGQLIDRVWGADYVGDTKTLDVHVKRLRSKIEADPANP-VHLVTVRGLGYKLE------

General information: TITO was launched using: RESULT: Template: 2OQR.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 : 889 -30762 -34.60 -137.94 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -34.60 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_2OQR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OQR-query.scw PDB file : Tito_Scwrl_2OQR.pdb: