Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDMENRYRPPSPLDDSVLDSALFVRGMEELRDISQSMDEDALSSFEMTENQSGLGSGSESSTELDALTPASSPSSGVYGCPVGQDEFTSTSLNLECRVCSDRASGYHYGVHACEGCKGFFRRTIRLKLEYDKCERRCKIQKKNRNKCQYCRFQKCLSVGMSHNAIRFGRMPQSEKLRLKAEILTGERDVEDDQKTLAKQIYEAYVKNFNMNKSKARTILTGKTS-TPPFVIHDMETLQLAEQTFVAKMMGSCGGLLNKDPEVRIFHCCQCTSVETVTELTEFAKSVPGFSNLDLNDQVTLLKYGVHEALFAMLASCMNKDGLLVAYGSGFITREFLKSLRRPFSDMMEPKFQFAMKFNSLELDDSDLALFVAAIICCGDRPGLVNVPHIERMQESIVNVLHLHLKSNHPDHGFLFPKLLQKLVDLRQLVTEHAQLIQEIKKTE-DTSLHPLLQEIYRDMY 3VN2 Chain:A ((18-285)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKI----------Q-SKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY

General information: TITO was launched using: RESULT: Template: 3VN2.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 : 1101 -67013 -60.87 -261.77 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -60.87 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.301

(partial model without unconserved sides chains): PDB file : Tito_3VN2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3vn2-query.scw PDB file : Tito_Scwrl_3VN2.pdb: