Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQALFGGGCFWCVEAVFLQIRGVEKVTSGYAGGHTTHPTYEQVCQGDTQHAEVVLIDFDEQQVTYSQLLDVFFATHDPTTLNRQGNDIGTQYRSVIYYFNEEQKQAAEHTIQTLKDD-DLDIVTELSPAPTFYPAEDYHQNYYEKNPSQGYCNFAIPPKLLKLYSKFQHLMKDQ 3BQE Chain:A ((203-353)) -----LAGGCFWGLEAYFQRIDGVVDAVSGYANGNTKNPSYEDVSYRHTGHAETVKVTYDADKLSLDDILQYFFRVVDPTSLNKQGNDTGTQYRSGVYYTDPAEKAVIAAALKREQQKYQLPLVVENEPLKNFYDAEEYHQDYLIKNPN-GYCHIDI------------------

General information: TITO was launched using: RESULT: Template: 3BQE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 724 -35952 -49.66 -239.68 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -49.66 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_3BQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BQE-query.scw PDB file : Tito_Scwrl_3BQE.pdb: