Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLNKYIDHTLLKQDAKKKQIDSLLSEAREYGFASVCVNPTWVEHAKKGLEGTDVKVCTVVGFPLGATTSAVKAFETKEAIQNGADEIDMVINVGALKSGNLALVESDIRAVVEASGDKLVKVIIEAC---LLTDQEKIV-VCQLAQKAGADFVKTSTGF-STGGATIADVTLMRETVGSDMGVKAAGGARSYADALAFVEAGATRIGTSAGVAILKGELADGDY 3NG3 Chain:B ((11-225)) -QLAAFVDHTLLKPEATAADVAALVTEAAELGVYAVCVSPPMVPAAVQ--A----RVASVAGFPSGKHVSAVKAHEAALAVASGAAEIDMVIDVGAALAGDLDGVRADIAAVRGAVGGAVLKVIVESSALLALADEHTLVRVCRAAEDAGADFVKTSTGFHPSGGASVRAVALMAEAVGGRLGVKASGGIRTAADALAMLDAGATRLGLSGTRAVLDG-------

General information: TITO was launched using: RESULT: Template: 3NG3.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 : 1260 -82287 -65.31 -399.45 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -65.31 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3NG3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NG3-query.scw PDB file : Tito_Scwrl_3NG3.pdb: