Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKKELLYEGKAKKIYLTSDENLIWIEYLDQATALNGARKDQISGKGELNNQITSAIFRYLTQRGIKNHFIEQLSKTEQLAKKVQIIPLEVVIRNIAAGSFSKRLGVPEGKEFIKPIIEFYYKDDQLDDPFINEEHIYFLQLAKPEEISELKAQALAINEILTELFAKVGLVLVDFKLEFGRS-NGQILLADEVTPDTCRLWDERTNEHMDKDVYRRDLGDLIPVYQEVYNRLSELTEEKERV 4O81 Chain:A ((12-232)) -----------AKKMIPIDDDKLI-MEFKDDATAFDGTKKARFKGKGWLNAQLSVIFFKLLEEHGIKTHFIGVAGGNRLIVEKLDMYPLEVVVRNVVAGSLKKRLPLPEGYELPEPIVELYYKNDELHDPMINYYHAKVLGISL-DEIKKIEEIALKVNEILKDYLAKKGIILVDFKLEFGKDKNGDIVLADEISPDTCRFWDAKTKRSLDKDVFRFDKGDLIEAYKEIYERIT---------

General information: TITO was launched using: RESULT: Template: 4O81.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 : 1072 -65385 -60.99 -297.20 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -60.99 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_4O81.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O81-query.scw PDB file : Tito_Scwrl_4O81.pdb: