Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRFKKSKYVIIVFVTVLLVSALLATTYSSTIVTKLGDGISLVDRVVQKPFQWFDSVKSDLAHLTRTYNENESLKKQLYQLEVKSNEVESLKTENEQLRQLLDMKSKLQATKTLAADVIMRSPVSWKQELTLDAGRSKGASENMLAIANGGLIGSVSKVEENSTIVNLLTNTENADKISVKIQHGSTTIYGIIIGYDKENDVLKISQLNSNSDISAGDKVTTGGLGNFNVADIPVGEVVATTHSTDYLTREVTVKLSADTHNVDVIELVGNS 4IFF Chain:C ((44-71)) -------------------------------------------------------EYNDLTKDYTRVNDDVAAQQATNAKLKA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IFF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1 -276 -275.50 -9.84 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain C : 0.51 3D Compatibility (PKB) : -275.50 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.802

(partial model without unconserved sides chains): PDB file : Tito_4IFF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IFF-query.scw PDB file : Tito_Scwrl_4IFF.pdb: