Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLWDIFFTTQATEPPKFDLFWYVSLFTLLALTFYTAHRYRENKVYQRFFQILQTVQLILLYGWYWVNHMPLSESLPFYHCRMAMFVVLLLPGQSKYKQYFALLGTFGTLAAFVYPVPDAYPFPHITILSFIFGHLALLGNSLVYLLRQYNARLLDVKGIFLMTFALNALIFVVNLVTGGDYGFLTKPPLVGDHGLVANYLLVSIVLVATISLTKKILEFFLAQEAEKMIAKEA 4MBS Chain:A ((35-85)) --------------------------------------------------------------------------------------------------------------------------LPPLYSLVFIFG---FVGNMLVILILINYKRLKSMTDIYLLNLAISDLFFLLTV----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MBS.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 : 84 -19044 -226.71 -373.41 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -226.71 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_4MBS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MBS-query.scw PDB file : Tito_Scwrl_4MBS.pdb: