Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALVLDGRALAKQIEENLLVRVEALKAKTGRTPILATILVGDDGASATYVRMKGNACRRVGMDSLKIELPQETTTEQLLAEIEKLNANPDVHGILLQHPVPAQIDERACFDAISLAKDVDGVTCLGFGRMAMGEAAYGSATPAGIMTILKENNIEIAGKHAVVVGRSAILGKPMAMMLLQANATVTICHSRTQNLPELVKQADIIVGAVGKAELIQKDWIKQGAVVVDAGFHPRDGGGVGDIQLQGIEEIASAYTPVPGGVGPMTITTLIRQTVEAAEKALG 4B4V Chain:B ((22-303)) MALVLDGRALAKQIEENLLVRVEALKAKTGRTPILATILVGDDGASATYVRMKGNACRRVGMDSLKIELPQETTTEQLLAEIEKLNANPDVHGILLQHPVPAQIDERACFDAISLAKDVDGVTCLGFGRMAMGEAAYGSATPAGIMTILKENNIEIAGKHAVVVGRSAILGKPMAMMLLQANATVTICHSRTQNLPELVKQADIIVGAVGKAELIQKDWIKQGAVVVDAGFHPRDGGGVGDIQLQGIEEIASAYTPVPGGVGPMTITTLIRQTVEAAEKALG

General information: TITO was launched using: RESULT: Template: 4B4V.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1623 -215013 -132.48 -762.46 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 1.00 3D Compatibility (PKB) : -132.48 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 1.00 QMean score : 0.620

(partial model without unconserved sides chains): PDB file : Tito_4B4V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B4V-query.scw PDB file : Tito_Scwrl_4B4V.pdb: