Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLKRIRDMFVASVHEGLDKMENPKVMLNQYVRDMESDIAKAKQTIVKQHTIAYQFKKKYEEAAEVAGKRKNQAQLAFDA-------GEEELAKKALTEM---KY-LEGKAAEHKASYEQANSQLADLKEQLAALETKLQDVKDKKQALIARANAAKAKEHMNTTFDKIDSESAYREFLRIENRIEEMEIRANYSKSAEAGTELTRKEFADDVEAEIEKMRTLSLQKSDQTKAANE 2VCV Chain:A ((29-139)) ------------------------------------------------------EFEEKFIGSAEDLGKLRNDGSLMFQQVPMVEIDGMKLVQTRAILNYIASKYNLYGKDIKERALIDMYTEGMADLNEMILLLPLCRPEEKDAKIALIKE----KTKSRYFPAFEKV-------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2VCV.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 : 183 17126 93.58 171.26 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 93.58 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_2VCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VCV-query.scw PDB file : Tito_Scwrl_2VCV.pdb: