Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQDQHLGVDKAKILIEALPYIQRFSGKTLVVKYGGNAMTDPELESSFARDIVLLKTVGLNPIVVHGGGPQVDSFLKQLGRESDRIDGMRVTDEATMEVVEMVLGGSVNKSIVNLINKHGGRAIGLTGQDGNLLRARKLLMEKQEEDGSIKHIDLGMVGEVTGVKTDVLEMFTQSDFIPVIAPLGVDEKGNTYNINADLVAGKVAEALGAEKLILLTNISGVLDENK----NLLTGLTTQEVDRLIETGVIYGGMIPKVGCALDAVKGGVVSAHIVDGRVPHATLLEIFTDHGVGTLISNRTQTTH 2RD5 Chain:B ((20-297)) ----------RVEILSESLPFIQKFRGKTIVVKYGGAAMTSPELKSSVVSDLVLLACVGLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVGKVNKNLVSLINAAGATAVGLSGHDGRLLTARPVPNSAQ----------LGFVGEVARVDPSVLRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILLTDVAGIL-ENKEDPSSLIKEIDIKGVKKMIEDGKVAGGMIPKVKCCIRSLAQGVKTASIIDGRRQHSLLHEIMSDEGAGTMIT-------

General information: TITO was launched using: RESULT: Template: 2RD5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1491 -145527 -97.60 -531.12 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -97.60 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.629

(partial model without unconserved sides chains): PDB file : Tito_2RD5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RD5-query.scw PDB file : Tito_Scwrl_2RD5.pdb: