Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKIIAITNQKGGVGKTTTSVNLGACLAYIGKRVLLVDID-PQGNATSGLGIEKADVEQCVYDILVDDADVIDIIKATTVENLDVIPATIQLAGAEIELVPTISREVRLKRALEAVKQNYDYIIIDCPPSLGLLTINALTASDSVVIPVQCEYYAL-EGLSQLLNTVRLVQKHLNTDLMIEGVLLTMLDARTNLGIQVIE-EVKKYFRDKVYKTVIPRNVRLSEAPSHGKPIILYDPRSRGAEVYLDLAKEVAANG 1HYQ Chain:A ((2-233)) -VRTITVASGKGGTGKTTITANLGVALAQLGHDVTIVDADITMANLELILGMEGLPV--TLQNVLAGEARIDEAIYVGP-GGVKVVPAGVSLEGLR------KANPEKLEDVLTQIMESTDILLLDAPAGLERSAVIAIAAAQELLLVVNPEISSITDGLK-----TKIVAERLGTKVL--GVVVNRI---TTLGIEMAKNEIEAILEAKVI-GLIPEDPEVRRAAAYGKPVVLRSPNSPAARAIVELANYIA---

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 : 1348 -58241 -43.21 -254.33 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -43.21 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.526

(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: