Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESRLMKNKRYFFDTILIILLLISTIFCVSPVFIKLDILGTPSHAILTFVLAIPLFYILSQCLHTLLLLVSSIFCKLRPIYFYFIFVIIIGARKYYRILFHQLMGFSPGIAVFYKESQTTKNLFKFYYFLYFTTLISYYFFFTFVYDKPLLLPLISFSIIIALVQKLYRIENQQLFLLKSKVLTILESKKNCEFNLQDYHEIWKLQSKSELPCVALSYISLIKPYLSESVREQIDLLEVKRFKKINHPISLYGMLDVIKLNLYLRHYNEKNKYESMLKKILEVRPDFVLIEQNIDDSLNSSQPLSLSLAISEIQLLLEVYMGIKHVSIRR 4IYJ Chain:B ((76-97)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVIKLAPALVVINAGTNDIAEN------------------------------

General information: TITO was launched using: RESULT: Template: 4IYJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 6 -1592 -265.25 -72.34 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.41 3D Compatibility (PKB) : -265.25 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.41 QMean score : 0.732

(partial model without unconserved sides chains): PDB file : Tito_4IYJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IYJ-query.scw PDB file : Tito_Scwrl_4IYJ.pdb: