Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence AMCRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYERCERACKVQKKSRNKCQYCRFQKCLALGMSHDAIRYGRMPEAEKKKLVAGLLAGENPQSSSGTDLKTLAKHVNTAYLRNLNMTKKRARSILTGKTSCTAPFVIHDMDSLWQAENGLVWNQLNGAPLNKEIGVHVFYRCQCTTVETVRELTEFAKNIPGFVDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGKGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVKQVEQIQDGILQALDQHLQVHHPDSSHLFPKLLQKMADLRQLVTENAQLVQMIKKTESETSLHPLLQEIYRDLY 5U5L Chain:A ((1-272)) ---------------------------------------------------------------------------------------------NPESA---DLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKI------------EVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDL-

General information: TITO was launched using: RESULT: Template: 5U5L.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 : 1100 -165484 -150.44 -638.93 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -150.44 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_5U5L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u5l-query.scw PDB file : Tito_Scwrl_5U5L.pdb: