Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKHVNKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICAGANQKPGETRLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELVEKNDAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKPHFAEQKVN 3WSW Chain:C ((3-310)) --KTSRKVVIVGTGFVGTSIAYAMINQGVANELVLIDVNQEKAEGEALDLLDGMAWGEKNVSVWSGTYEECQDANLVILTAGVNQKPGQTRLDLVKTNATITRQIVKEVMASGFDGIFVVASNPVDILTYLTWQESGLPASRVVGTGTTLDTTRFRKEIALKLAVDPRSVHGYILGEHGDSEVAAWSHTTVGGKPIMEYVEKDHRLEENDLTVLADKVKNAAYEIIDRKKATYYGIGMSTTRIVKAILNNEQAVLPVSAYLNGEYGEEDIFTGVPSIVDENGVREIIDLSITPQEKAMFHQSVSELKAVL----------

General information: TITO was launched using: RESULT: Template: 3WSW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1726 -238671 -138.28 -774.90 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain C : 0.87 3D Compatibility (PKB) : -138.28 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.557

(partial model without unconserved sides chains): PDB file : Tito_3WSW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WSW-query.scw PDB file : Tito_Scwrl_3WSW.pdb: