Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQMWTDIDEYIDSHLIPEDPRLDFALKNTDEHGFSNHLAVAPNQGMFLQMLIQMNKCKRVLEIGTFAAYSTIWLGRALPEDGYLLTIEGRDTHAEMAQKNIDHANLPVKVDLKLGRAADVLSAIDPQSIEPFDFIFIDADKQGYPEYLELSLKFSKSGTIIVLDNVIRAGAILN--PENKKPSIEGIRETFKALENHPQILSCTALQTVGSKGHDGFAIAIVK 4OA5 Chain:F ((53-190)) --------------------------------------------EGQMLQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTL--KEMAPFDMIFIDANKSSYLAYLNWAKMYIRKGGLIVADNTFLFGSVFDEHPTEKVSS----------------------------------------

General information: TITO was launched using: RESULT: Template: 4OA5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 615 -94998 -154.47 -698.51 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain F : 0.70 3D Compatibility (PKB) : -154.47 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_4OA5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OA5-query.scw PDB file : Tito_Scwrl_4OA5.pdb: