Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRGTRTFEIYRYDPDKDKAPYMQTFKLELTD-KHRMLLDALLALKVQDETLTFRRSCREGICGSDGVNINGKNGLACL---QNLNDLPEKIVIRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPAPP-KERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG 2WP9 Chain:F ((5-236)) -------FSIYRYNPDVDDAPRMQDYTLEADEGRDMMLLDALIQLKEKDPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISALNQPGKKIVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCTSIMNCVSVCPKGLNPTRAIGHIKSMLLQR--

General information: TITO was launched using: RESULT: Template: 2WP9.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 : 1087 -40643 -37.39 -179.04 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain F : 0.90 3D Compatibility (PKB) : -37.39 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_2WP9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WP9-query.scw PDB file : Tito_Scwrl_2WP9.pdb: