Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKIIAITNQKGGVGKTTTSVNLGACLAYIGKRVLLVDID-PQGNATSGLGIEKADVEQCVYDILVDDADVIDIIKATTVENLDVIPATIQLAGAEIELVPTISREVRLKRALEAVKQNYDYIIIDCPPSLGLLTINALTASDSVVIPVQCEYYALEGLSQLLNTVRLVQKHLNTDLMIEGVLLTMLDARTNLGIQVIEEVKKYFRDKVYKTVIPRNVRLSEAPSHGKPIILYDPRSRGAEVYLDLAKEVAANG 1G3R Chain:A ((1-233)) MGRIISIVSGKGGTGKTTVTANLSVALGDRGRKVLAVDGDLTMANLSLVLGVDDPDV--TLHDVLAGEANVEDAIYMTQFDNVYVLPGAVDWE----HVLKADPR--KLPEVIKSLKDKFDFILIDCPAGLQLDAMSAMLSGEEALLVTNPE------ISCLTDTMKVGIVLKKAGLAILGFVLNRY-GRSDRDIP--PEAAEDVMEVPLLAVIPEDPAIREGTLEGIPAVKYKPESKGAKAFVKLAEEI----

General information: TITO was launched using: RESULT: Template: 1G3R.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 : 1430 -56714 -39.66 -244.46 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -39.66 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_1G3R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1G3R-query.scw PDB file : Tito_Scwrl_1G3R.pdb: