Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCLLTIFWYNSREKGEHMKKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDLMLPEIDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRSQPMPVDGQEADSKPQPIQIGDLEIVPDAYVAKKYGEELDLTHREFELLYHLASHTGQVITREHLLETVWGYDYFGDVRTVDVTVRRLREKIEDTPSRPEYILTRRGVGYYMRNNA 1NXS Chain:A ((2-120)) ------------------KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILD--LPEIDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRSQ------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NXS.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 : 551 -72407 -131.41 -618.86 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -131.41 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.713

(partial model without unconserved sides chains): PDB file : Tito_1NXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NXS-query.scw PDB file : Tito_Scwrl_1NXS.pdb: