Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPWLYWTLKPKHRIWAEEWQKEYQAYLMDMETVEIGENCFISPLAHIFAEPGRKIKIGDNCFIAADCSLHGPLEIGNEVAINHHCILDGGRAGIKLHDQVRIAAYCHLYAFDHGMQLDR------PLYQQPVRSQGIEIEKDVWLGAHVGIKDGIKIGKHAVVGMNSMVTKDVEPYHIVGGNPAKFIRLRE 3VBP Chain:A ((24-189)) -----------------------QEELKKIGFLSVGKNVLISKKASIY-NPGV-ISIGNNVRIDDFCILSGKVTIGSYSHIAAYTALYGGEVGIEMYDFANISSRTIVYAAINDFSGNALMGPTIPNQYKNVKTGKVILKKHVIIGAHSIIFPNVVIGEGVAVGAMSMVKESLDDWYIYVGVPVRKIKARK

General information: TITO was launched using: RESULT: Template: 3VBP.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 : 874 -123953 -141.82 -774.70 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -141.82 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_3VBP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VBP-query.scw PDB file : Tito_Scwrl_3VBP.pdb: