Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAELINGKELAEKMQAEIAEKIQKLKDNGIHPGLVVLLVGENPASQIYVRNKERVAKEIGIHSLVERYPETISEDELLAEIEKYNQDPSFHGILVQLPLPKHIDEEKILLAIRPEKDVDGFHPMNLGRLLAGKPDKIPCTPYGIMKMFEAYSIDPAGKRAVVIGRSNIVGKPMAQLLLMADATVTVAHSKTENLAELAQEADILVVAIGRGHFVTKEFVKPGAVVIDVGMNRDANGKLIGDVKFDEVEPIAGWITPVPKGVGPMTITMLMYQTVKSAEAFGAGE 3NGX Chain:A ((2-270)) --KILRGEEIAEKKAENLHGIIER---SGLEPSLKLIQIGDNEAASIYARAKIRRGKKIGIAVDLEKY-DDISMKDLLKRIDDLAKDPQINGIMIENPLPKGFDYYEIVRNIPYYKDVDALSPYNQGLIALNREFLVPATPRAVIDIMDYYGYHE--NTVTIVNRSPVVGRPLSMMLLNRNYTVSVCHSKTKDIGSMTRSSKIVVVAVGRPGFLNREMVTPGSVVIDVGINY-VNDKVVGDANFEDLSEYVEAITPVPGGVGPITATNILENVVKAAE------

General information: TITO was launched using: RESULT: Template: 3NGX.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 : 1471 -186106 -126.52 -691.84 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -126.52 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.670

(partial model without unconserved sides chains): PDB file : Tito_3NGX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NGX-query.scw PDB file : Tito_Scwrl_3NGX.pdb: