Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKIVANTADLIGDTPLVRLNRLQPENAAQVYLKLEFFNPSGSVKDRAAYQMIIEAEQNGLLKPGSVIIEPTSGNTGIGLAMNAAARGYKAILVMPDTMTKERINLLKAYGAEVVLTPGEERMPGSIKKAKELAEQIPNSYIPMQFDNTANPDAHRKTTAPEIARAIEEIGKPLGAFVASSGTGGTITGTGEALKELFPDITVHVVEPAGSPVLSGGKPGAHKLVGTSPGFIPPILNEDVYDEIIKISDEDAYTTTRRLAAEEGILVGPSSGAACFAAIETAKR-LSPDKVVVCMTADTGERYLSTDLWSFI 3RR2 Chain:A ((1-299)) -MTIAENITQLIGGTPLVRLRRVTDGAAADVVAKLESFNPAGSIKDRIGVAMIDAAEKAGLIKPDTIILEPTSGNTGIALAMVSAARGYKCVLTMPDTMSIERRMLLRAYGAELVLTP----MAGAIAKAEELAKTDDRYFIPQQFENPANPAVHAVTTAEEVWRDTD--GK-VDIFVSGVGTGGTITGVAQVIKQRRPSAQFVAVEPAASPV-----KGPHPIQGIGAGFVPPVLDLALVDEVITVGNDDALELARRMATEEGLLVGISSGAAVWAARELAHRPENAGKLIVVVLPDFGERY---------

General information: TITO was launched using: RESULT: Template: 3RR2.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 : 1611 -145223 -90.14 -502.50 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -90.14 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.597

(partial model without unconserved sides chains): PDB file : Tito_3RR2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RR2-query.scw PDB file : Tito_Scwrl_3RR2.pdb: