Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDLPQNDEYDRRFAGVAKIYGDSSFQHYEQSHVMVIGIGGVGSWAVEALARTGIGEITLVDMDVVAASNVNRQLPAMTSTLGCEKVEIMAERCRQINPRIKVNIIDDFLTPENVAELLNPVPDIVLDCIDDVKAKLALMLHCRFNKIPLIVSGGAGGKLDPLKIRVADLSKTEQDPMLAKLRSQLRAR-GICKKPKEKFGITCIYSIDN---PFSSADVCPSAGLRCGGYGSAVVVTSSFAMIAVAEVLKKLDLKKA 4RDH Chain:A ((26-277)) ------SDAWRQRFGGTARLYGEKALQLFADAHICVVGIGGVGSWAAEALARTGIGAITLIDMDDVCVTNTNRQIHALRDNVGLAKAEVMAERIRQINPECRVTVVDDFVTPDNVAQYMSVGYSYVIDAIDSVRPKAALIAYCRRNKIPLVTTGGAGGQIDPTQIQVTDLAKTIQDPLAAKLRERLKSDFGVVKNSKGKLGVDCVFSTEALVYPQS-------------GFGAATMVTATFGFVAVSHAL--------

General information: TITO was launched using: RESULT: Template: 4RDH.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 : 1243 -150635 -121.19 -663.59 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -121.19 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_4RDH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RDH-query.scw PDB file : Tito_Scwrl_4RDH.pdb: