Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESRLMKNKRYFFDTILIILLLISTIFCVSPVFIKLDILGTPSHAILTFVLAIPLFYILSQCLHTLLLLVSSIFCKLRPIYFYFIFVIIIGARKYYRILFHQLMGFSPGIAVFYKESQTTKNLFKFYYFLYFTTLISYYFFFTFVYDKPLLLPLISFSIIIALVQKLYRIENQQLFLLKSKVLTILESKKNCEFNLQDYHEIWKLQSKSELPCVALSYISLIKPYLSESVREQIDLLEVKRFKKINHPISLYGMLDVIKLNLYLRHYNEKNKYESMLKKILEVRPDFVLIEQNIDDSLNSSQPLSLSLAISEIQLLLEVYMGIKHVSIRR 1GML Chain:D ((63-92)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EEEYIHQLCEDIIQLKPDVVITEKGISDLA--------------------------------

General information: TITO was launched using: RESULT: Template: 1GML.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 34 -7814 -229.82 -260.47 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain D : 0.42 3D Compatibility (PKB) : -229.82 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.42 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_1GML.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GML-query.scw PDB file : Tito_Scwrl_1GML.pdb: