Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRGTRTFEIYRYDPDKDKAPYMQTFKLELTD-KHRMLLDALLALKVQDETLTFRRSCREGICGSDGVNINGKNGLACL---QNLNDLPEKIVIRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPAPP-KERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG 2WU2 Chain:B ((5-236)) -------FSIYRYNPDVDDAPRMQDYTLEADEGRDMMLLDALIQLKEKDPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISALNQPGKKIVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLLQR--

General information: TITO was launched using: RESULT: Template: 2WU2.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 : 1099 -36470 -33.18 -160.66 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -33.18 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_2WU2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WU2-query.scw PDB file : Tito_Scwrl_2WU2.pdb: