Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEEKIYDVIIIGAGPAGMTAAVYTSRANLSTLMIERGIPGGQMANTEDVENYPGFE-SILGPELSNKMFEHAKKFGAEYAYGDIKEV-IDGKEYKVVKAGSKEYKARAVIIAAGAEYKKIGVPGEKELGGRGVSYCAVCDGAFFKGKELVVVGGGDSAVEEGVYLTRFASKVTIVHRRDKLRAQSILQARAFDNEKVDFLWNKTVKEIHEENGKVGNVTLVDTVTGEESEFKTDGVFIYIGMLPLSKPFENLGITNEEGYIETND-RMETKVEGIFAAGDIREKSLRQIVTATGDGSIAAQSVQHYVEELQETLKTLK 2A87 Chain:A ((11-319)) --HHPVRDVIVIGSGPAGYTAALYAARAQLAPLVFEGTSFGGALMTTTDVENYPGFRNGITGPELMDEMREQALRFGADLRMEDVESVSLHGPLKSVVTADGQTHRARAVILAMGAAARYLQVPGEQELLGRGVSSCATCDGFFFRDQDIAVIGGGDSAMEEATFLTRFARSVTLVHRRDEFRASKIMLDRARNNDKIRFLTNHTVVAVDGDT-TVTGLRVRDTNTGAETTLPVTGVFVAIGHEPRSGLVREAIDVDPDGYVLVQGRTTSTSLPGVFAAGDLVDRTYRQAVTAAGSGCAAAIDAERWLAEHA-------

General information: TITO was launched using: RESULT: Template: 2A87.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 : 1852 -25359 -13.69 -82.87 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -13.69 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_2A87.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A87-query.scw PDB file : Tito_Scwrl_2A87.pdb: