Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKIIAITNQKGGVGKTTTSVNLGACLAYIGKRVLLVDIDPQ-GNATSGLGIEKADVEQCVYDILVDDADVIDIIKATTVENLDVIPATIQLAGAEIELVPTISREVRLKRALEAVKQNYDYIIIDCPPSLGLLTINALTASDSVVIPVQCEYYALEGLSQLLNTVRLVQKHLNTDLMIEGVLLTMLDARTNLGIQVIEEVKKYFRDKVYKTVIPRNVRLSEAPSHGKPIILYDPRSRGAEVYLDLAKEVAANG 1HYQ Chain:A ((2-233)) -VRTITVASGKGGTGKTTITANLGVALAQLGHDVTIVDADITMANLELILGMEGLP--VTLQNVLAGEARIDEAIY-VGPGGVKVVPAGVSLEGLR-K-----ANPEKLEDVLTQIMESTDILLLDAPAGLERSAVIAIAAAQELLLVVNPEISSITDGLKTKIVAERL------GTKVLGVVVNRITTLGI--EMAKNEIEAILEAKV-IGLIPEDPEVRRAAAYGKPVVLRSPNSPAARAIVELANYIA---

General information: TITO was launched using: RESULT: Template: 1HYQ.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 : 1371 -43420 -31.67 -187.97 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -31.67 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_1HYQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HYQ-query.scw PDB file : Tito_Scwrl_1HYQ.pdb: