Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKIVANTADLIGDTPLVRLNRLQPENAAQVYLKLEFFNPSGSVKDRAAYQMIIEAEQNGLLKPGSVIIEPTSGNTGIGLAMNAAARGYKAILVMPDTMTKERINLLKAYGAEVVLTPGEERMPGSIKKAKELAEQIPNSYIPMQFDNTANPDAHRKTTAPEIARAIEEIGKPLGAFVASSGTGGTITGTGEALKELFPDITVHVVEP-AGSPVLSGGKPGAHKLVGTSPGFIPPILNEDVYDEIIKISDEDAYTTTRRLAAEEGILVGPSSGAACFAAIETAKRLSPDKVVVCMTADTGERYLSTDLWSFI 2BHS Chain:D ((8-292)) -----------IGNTPLVKLQRMGPDNGSEVWLKLEGNNPAGSVKDRAALSMIVEAEKRGEIKPGDVLIEATSGNTGIALAMIAALKGYRMKLLMPDNMSQERRAAMRAYGAELILVTKEQGMEGARDLALEMANRGEGKLLD-QFNNPDNPYAHYTTTGPEI---WQQTGGRITHFVSSMGTTGTITGVSRFMREQSKPVTIVGLQPEEGSSI-----PGIRRW---PTEYLPGIFNASLVDEVLDIHQRDAENTMRELAVREGIFCGVSSGGAVAGALRVAK-ANPDAVVVAIICDRGDRYLSTGVF---

General information: TITO was launched using: RESULT: Template: 2BHS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1743 -85835 -49.25 -302.23 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain D : 0.83 3D Compatibility (PKB) : -49.25 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_2BHS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BHS-query.scw PDB file : Tito_Scwrl_2BHS.pdb: