Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESRLMKNKRYFFDTILIILLLISTIFCVSPVFIKLDILGTPSHAILTFVLAIPLFYILSQCLHTLLLLVSSIFCKLRPIYFYFIFVIIIGARKYYRILFHQLMGFSPGIAVFYKESQTTKNLFKFYYFLYFTTLISYYFFFTFVYDKPLLLPLISFSIIIALVQKLYRIENQQLFLLKSKVLTILESKKNCEFNLQDYHEIWKLQSKSELPCVALSYISLIKPYLSESVREQIDLLEVKRFKKINHPISLYGMLDVIKLNLYLRHYNEKNKYESMLKKILEVRPDFVLIEQNIDDSLNSSQPLSLSLAISEIQLLLEVYMGIKHVSIRR 4EFC Chain:A ((21-91)) ------------------------------------------------------------------------------------------------------LFALSPLDGRYKRQTKALRAFFSEYGFFRYRVLVEVEYFTALCKDVPTIVPL--RSVTDEQLQKLRKI----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4EFC.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 : 91 -16295 -179.06 -246.89 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.47 3D Compatibility (PKB) : -179.06 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.261

(partial model without unconserved sides chains): PDB file : Tito_4EFC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EFC-query.scw PDB file : Tito_Scwrl_4EFC.pdb: