Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRQLVSSSRVEQKNWDR--------PVLSEWIEQFVNTVQAVQ-TPVQIVAHSFGCLTSVAALAEHPELQLQVKKLILVAPANPARFGE------A-----------GF---AR-H------------------SLTDYK------------DYF---HQ--LKINVPATLLISENDPWLDFFDALQLAKSW-QLTPINLGQVGHINVASGFGPFPDLLNHLLPEDSMCSHSSIDPVKTHFSLKFA 1IUP Chain:A ((56-273)) ------RVIAPDMVGFGFTDRPENYNYSKDSWVDHIIGIMDALEIEKAHIVGNAFGGGLAIATALRYS---ERVDRMVLMGAAGTRFDVTEGLNAVWGYTPSIENMRNLLDIFAYDRSLVTDELARLRYEASIQPGFQESFSSMFPEPRQRWIDALASSDEDIKTLPNETLIIHGREDQVVPLSSSLRLGELIDRAQLHVFGRCGHWTQIEQTDRFNRLVVEFFNEA--------------------

General information: TITO was launched using: RESULT: Template: 1IUP.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 : 525 -14296 -27.23 -94.05 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -27.23 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_1IUP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IUP-query.scw PDB file : Tito_Scwrl_1IUP.pdb: