Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAIQNPYTAYQQNSVNTATPGELTLMLYNGCLKFIRLAAQAIENDDMERKNENLIKAQNIIQELNFTLNRNIELSASMGAMYDYMYRRLVQANIKNDTGMLAEVEGYVTDFRDAWKQAIQSERKDRHGSGGIA 2NW8 Chain:A ((56-104)) ---------------------QTSELWLKLLAHELRAAIVHLQRDEVWQCRKVLARSKQVLRQLTEQWSV---------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2NW8.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 : 93 -7697 -82.76 -157.07 target 2D structure prediction score : 0.90 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -82.76 2D Compatibility (Sec. Struct. Predict.) : 0.90 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_2NW8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NW8-query.scw PDB file : Tito_Scwrl_2NW8.pdb: