Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALVLDGRALAKQIEENLLVRVEALKAKTGRTPILATILVGDDGASATYVRMKGNACRRVGMDSLKIELPQETTTEQLLAEIEKLNANPDVHGILLQHPVPAQIDERACFDAISLAKDVDGVTCLGFGRMAMGEAAYGSATPAGIMTILKENNIEIAGKHAVVVGRSAILGKPMAMMLLQANATVTICHSRTQNLPELVKQADIIVGAVGKAELIQKDWIKQGAVVVDAGFHPRDGGGVGDIQLQGIEEIASAYTPVPGGVGPMTITTLIRQTVEAAEKALG 4B4U Chain:A ((22-303)) MALVLDGRALAKQIEENLLVRVEALKAKTGRTPILATILVGDDGASATYVRMKGNACRRVGMDSLKIELPQETTTEQLLAEIEKLNANPDVHGILLQHPVPAQIDERACFDAISLAKDVDGVTCLGFGRMAMGEAAYGSATPAGIMTILKENNIEIAGKHAVVVGRSAILGKPMAMMLLQANATVTICHSRTQNLPELVKQADIIVGAVGKAELIQKDWIKQGAVVVDAGFHPRDGGGVGDIQLQGIEEIASAYTPVPGGVGPMTITTLIRQTVEAAEKALG

General information: TITO was launched using: RESULT: Template: 4B4U.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 : 1644 -212057 -128.99 -751.98 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 1.00 3D Compatibility (PKB) : -128.99 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 1.00 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_4B4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B4U-query.scw PDB file : Tito_Scwrl_4B4U.pdb: