Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------MTEIAAEFNCPPTTIHYALKAMGYSLKKSRTYCEQDPEKVNRFLKELNHLSYLT-----------PIYIYE---TGVETYFYLEYDRALSRQLVSLEEDIII----------------------------------------------------------------------------------------------------------------- 2SCU Chain:B ((1-244)) MNLHEYQAKQLFARYGLPAPVGYACTTPREAEEAASKIGAGPWVVKCQVHAGGRGKAGGVKVV-NSKEDIRAFAENWLGKRLVTYQTDANGQPVNQILVEAATDIAKELYLGAVVDRSSRRVVFMASTEGGVEIEKVAEETPHLIHKVALDPLTGPMPYQGRELAFKLGLEGKLVQQFTKIFMGLATIFLERDLALIEINPLVITKQGDLICLDGKLGADGNALFRQPDLREMRDQSQEDPREAQ

General information: TITO was launched using: RESULT: Template: 2SCU.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 : 295 9172 31.09 105.43 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : 31.09 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.366

(partial model without unconserved sides chains): PDB file : Tito_2SCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2SCU-query.scw PDB file : Tito_Scwrl_2SCU.pdb: