Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPWLYWTLKPKHRIWAEEWQKEYQAYLMDMETVEIGENCFISPLAHIFAEPGRKIKIGDNCFIAADCSLHGPLEIGNEVAINHHCILDGGRAGIKLHDQVRIAAYCHLYAF------DHGMQLDRPLYQQPVRSQGIEIEKDVWLGAHVGIKDGIKIGKHAVVGMNSMVTKDVEPYHIVGGNPAKFIRLRE 3VBK Chain:A ((24-189)) -----------------------QEELKKIGFLSVGKNVLISKKASIY-NPGV-ISIGNNVRIDDFCILSGKVTIGSYSHIAAYTALYGGEVGIEMYDFANIASRTIVYAAIDDFSGNALMGPTIPNQYKNVKTGKVILKKHVIIGAHSIIFPNVVIGEGVAVGAMSMVKESLDDWYIYVGVPVRKIKARK

General information: TITO was launched using: RESULT: Template: 3VBK.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 : 877 -133131 -151.80 -832.07 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -151.80 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_3VBK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VBK-query.scw PDB file : Tito_Scwrl_3VBK.pdb: