Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence AMCRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYERCERACKVQKKSRNKCQYCRFQKCLALGMSHDAIRYGRMPEAEKKKLVAGLLAGENPQSSSGTDLKTLAKHVNTAYLRNLNMTKKRARSILTGKTSCTAPFVIHDMDSLWQAENGLVWNQLNGAPLNKEIGVHVFYRCQCTTVETVRELTEFAKNIPGFVDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGKGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVKQVEQIQDGILQALDQHLQVHHPDSSHLFPKLLQKMADLRQLVTENAQLVQMIKKTESETSLHPLLQEIYRDLY 3VSO Chain:A ((15-286)) ---------------------------------------------------------------------------------------------NPESA---DLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKF--------SKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDL-

General information: TITO was launched using: RESULT: Template: 3VSO.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 : 1111 -161489 -145.35 -614.02 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -145.35 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_3VSO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3vso-query.scw PDB file : Tito_Scwrl_3VSO.pdb: