Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDTAMARLNEGTIVIYALSVLFYFIDFLQHNRKAGKMAFWLLSIVWTLQTVYLAYFMWVTGRFPVLNVTEALYFYAWVLVTLSLVLTKLLRVDFIVFFTNVIGFSMIAIHTFSPTEQQSAAFSGQLVSELLVIHITMAILSYGAFSLSFVFSVLYMFQYHLLKKKKWGKWLLRIEDLSKLDYMAYVLNVIGVPMLLLSLILGVIWAYVSLETLYWFDAKVLGSFVVLLLYSYYLYIRLIKELQGKVAALWNTACFLVLMINYFLLGSLSQFHWFS 1O0T Chain:A ((403-453)) -------------------------------------------------------------------------------------AITKLGGLNFVDAFTGHAGDAIVSYHQASNAGSLQVDFSGQGVADFLVTTV--------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1O0T.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 : 161 -16110 -100.06 -315.88 target 2D structure prediction score : 0.25 Monomeric hydrophicity matching model chain A : 0.38 3D Compatibility (PKB) : -100.06 2D Compatibility (Sec. Struct. Predict.) : 0.25 1D Compatibility (Hydrophobicity) : 0.38 QMean score : 0.196

(partial model without unconserved sides chains): PDB file : Tito_1O0T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1O0T-query.scw PDB file : Tito_Scwrl_1O0T.pdb: