Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRNIDQELVSIIIPTHNRYESLIRAVKSCLHQSYKNIEVIIIDDNYSNVNLRNKIIHQFGYTNHRIKLILSNEDLGATNARNIGIKNSRGKYISFLDDDDEYMPDRILKLMACFKKSRMKNLALVYSYGIIIYPNGTREEEKTDFVGNPLFVQMVHNIAGTSFWLCKKEVLELINGFEKIDSHQDGVVLLKLLAQGYQIDIVREFLVNYYAHSKENGITGVTQKTINADEEYYNYCRKYFNLLSFNERILVTKKYYSLNIKRLLLIGDKCKALKVIKKAREEKIFNEFLFLKYMLLYNFSFFYCIYDNYVQLKFRK 3BCV Chain:A ((7-110)) ---------VSVIVPIYNVEKYLDQCVQALLAQTLSDIEIILIDDESPD-NCP-KICDDYAAQYPNIKVI-HKKNAGLGMACNSGLDVATGEYVAF-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BCV.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 : 364 -58205 -159.90 -692.91 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -159.90 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3BCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BCV-query.scw PDB file : Tito_Scwrl_3BCV.pdb: