Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRGTRTFEIYRYDPDKDKAPYMQTFKLELTD-KHRMLLDALLALKVQDETLTFRRSCREGICGSDGVNINGKNGLACL---QNLNDLPEKIVIRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPAPP-KERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG 2WDQ Chain:F ((5-236)) -------FSIYRYNPDVDDAPRMQDYTLEADEGRDMMLLDALIQLKEKDPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISALNQPGKKIVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLLQR--

General information: TITO was launched using: RESULT: Template: 2WDQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1089 -35432 -32.54 -156.09 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain F : 0.90 3D Compatibility (PKB) : -32.54 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_2WDQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WDQ-query.scw PDB file : Tito_Scwrl_2WDQ.pdb: