Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLKPQEVVRLGDIQMANHLPFVLFGGMNVLESKDLAFEIAETYIDICKRLDIPYVFKASFDKANRSSLHSFRGPGLEKGIEWLGDIKKHFNVPIITDVHEPYQAAPVAEVADIIQLPAFLSRQTDLVEAMAKTQAIINIKKAQFLAPHEMRHILHKCLEVGNDKLILCERGSAFGYNNLVVDMLGFDIMKEM--NVPVFFDVTHALQTPGGRSDSAGGRRAQITTLARAGMATGLAGLFLESHPDPDKAKCDGPSALRLSQLEPFLAQLKELDTLVKGFKKLDTH 3STE Chain:A ((3-272)) ---------IKINDITLGNNSPFVLFGGINVLESLDSTLQTCAHYVEVTRKLGIPYIFKASFDKANRSSIHSYRGVGLEEGLKIFEKVKAEFGIPVITDVHEPHQCQPVAEVCDVIQLPAFLARQTDLVVAMAKTGNVVNIKKPQFLSPSQMKNIVEKFHEAGNGKLILCERGSSFGYDNLVVDMLGFGVMKQTCGNLPVIFDVTHSLA---------GGRRAQALDLALAGMATRLAGLFLE-----------------LHLLEDFLIRIKALDDLIK--------

General information: TITO was launched using: RESULT: Template: 3STE.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 : 1256 -148780 -118.46 -614.79 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -118.46 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.586

(partial model without unconserved sides chains): PDB file : Tito_3STE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3STE-query.scw PDB file : Tito_Scwrl_3STE.pdb: