Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKIIAITNQKGGVGKTTTSVNLGACLAYIGKRVLLVDIDPQGNATSGLGIEKADVEQCVYDILVDDADVIDIIKATTVENLDVIPATIQLAGAEIELV--PTISREVRLKRALEAVKQNYDYIIIDCPPSLGLLTINALTASDSVVIPVQCEYYALEGLSQLLNTVRLVQKHLNTDLMIEGVLLTMLDARTNLGIQVIEEVKKYFRDKVYKTVIPRNVRLSEAPSHGKPIILYDPRSRGAEVYLDLAKEVAANG 2BEJ Chain:A ((7-245)) --RRIALANQKGGVGKTTTAINLAAYLARLGKRVLLVDLDPQGNATSGLGVR---AERGVYHLLQGE-PLEGLVH--PVDGFHLLPATPDLVGATVELAGAPTALRE-----ALR--DEGYDLVLLDAPPSLSPLTLNALAAAEGVVVPVQAEYYALEGVAGLLATLEEVRAGLNPRLRLLGILVTMYDGRTLLAQQVEAQLRAHFGEKVFWTVIPRNVRLAEAPSFGKTIAQHAPTSPGAHAYRRLAEEVMAR-

General information: TITO was launched using: RESULT: Template: 2BEJ.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 : 1397 -35130 -25.15 -148.23 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -25.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_2BEJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BEJ-query.scw PDB file : Tito_Scwrl_2BEJ.pdb: