Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRGTRTFEIYRYDPDKDKAPYMQTFKLELTD-KHRMLLDALLALKVQDETLTFRRSCREGICGSDGVNINGKNGLACL---QNLNDLPEKIVIRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPAPP-KERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG 1NEK Chain:B ((5-236)) -------FSIYRYNPDVDDAPRMQDYTLEADEGRDMMLLDALIQLKEKDPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISALNQPGKKIVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLLQR--

General information: TITO was launched using: RESULT: Template: 1NEK.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 : 1089 -37826 -34.73 -166.63 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -34.73 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_1NEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NEK-query.scw PDB file : Tito_Scwrl_1NEK.pdb: