Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTI-SLAKGQKVDLTKTNPGLSKVVVGLGWDTNKYDGGHDFDLDSSVFLLDAAGKCASPNDFIFYNQLEGGNGSVVHSGDNLTGAGEGDDENVKVNLSAVPANIDKISFVITIHDAEARSQNFGQVSNAFVRIVNEETNEELIRYDLAEDFSIETAIIAGELYRHNGEWKFSAIGSGYQGGLARIATDYGLQVG 3OC8 Chain:A ((4-137)) MEIYPHIKVYEGTLSRLKPG-GAMIAVLEYDVNELSK-HGYTNLWDVQFKVLVGV-PHAETGVIYDPVYEETVKPYQPSNNLTG---------------------KKLYNVSTNDMH----NGYKWSNTMFSNSNYKTQILLTKGDGSGVKLYSKA------YSENFK--------------------------

General information: TITO was launched using: RESULT: Template: 3OC8.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 : 555 -20523 -36.98 -154.31 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -36.98 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.162

(partial model without unconserved sides chains): PDB file : Tito_3OC8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OC8-query.scw PDB file : Tito_Scwrl_3OC8.pdb: