Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKKELLYEGKAKKIYLTSDENLIWIEYLDQATALNGARKDQISGKGELNNQITSAIFRYLTQRGIKNHFIEQLSKTEQLAKKVQIIPLEVVIRNIAAGSFSKRLGVPEGKEFIKPIIEFYYKDDQLDDPFINEEHIYFLQLAKPEEISELKAQALAINEILTELFAKVGLVLVDFKLEFGRSNGQILLADEVTPDTCRLWDERTNEHMDKDVYRRDLGDLIPVYQEVYNRLSELTEEKERV 3NUA Chain:B ((6-237)) -NQLEMLYEGKAKKIYATDKEDMVIVHYKDDATAFNGEKKAQIESKGVLNNEITSLIFEMLNKEGIKTHFVEKLNDRDQLCKKVEIVPLEVIVRNVAAGSMAKRLGLEEGYELKTTVFELSYKDDSLGDPLINDYHAVGIGATTFEELNKIYEITAKVNEILKEAFKKQNINLIDFKLEFGRYNGEILLADEISPDTCRFWDATTGEKMDKDRFRRDMGNVINGYREVLNRLR---------

General information: TITO was launched using: RESULT: Template: 3NUA.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 : 1144 -79313 -69.33 -341.86 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -69.33 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_3NUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NUA-query.scw PDB file : Tito_Scwrl_3NUA.pdb: