Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTHIAWASACLLLVMLTGFFTIGQQTYKIEKLKDKNEVLSEKIKELNHIESTSSASENKAFFEAFFNYSDIDIRYETVKKHTTGKGFDYAFPSRSDQKHTVSVQSELLSLESYSKPLDESHELFLNIVEVATTANSVTTNQVLIVQTTMKKEKDGWLVDNVQVKGNG 3UB1 Chain:A ((154-252)) ---------------------------------------------------TKKITDSVSQFFKAYYEQN-----QTQIDYFLVDGAD--IKGAGQ-K----FSFNKIDRINIYKLS--DKEFLAIVDLNVDS--F--GNAIKQGFNLTVVQEGDKFLVKTLEPRTSN

General information: TITO was launched using: RESULT: Template: 3UB1.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 : 428 -42238 -98.69 -426.65 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -98.69 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_3UB1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UB1-query.scw PDB file : Tito_Scwrl_3UB1.pdb: