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

General information: TITO was launched using: RESULT: Template: 2BEK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1411 -43767 -31.02 -184.67 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain D : 0.85 3D Compatibility (PKB) : -31.02 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_2BEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BEK-query.scw PDB file : Tito_Scwrl_2BEK.pdb: