Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence AMCRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYERCERACKVQKKSRNKCQYCRFQKCLALGMSHDAIRYGRMPEAEKKKLVAGLLAGENPQSSSGTDLKTLAKHVNTAYLRNLNMTKKRARSILTGKTSCTAPFVIHDMDSLWQAENGLVWNQL-NGAPLNKEIGVHVFYRCQCTTVETVRELTEFAKNIPGFVDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGKGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVKQVEQIQDGILQALDQHLQVHHPDSSHLFPKLLQKMADLRQLVTENAQLVQMIKKTESETSLHPLLQEIYRDLY 5U42 Chain:B ((5-271)) -----------------------------------------------------------------------------------------------------DLKAFSKHIYNAYLKNFNMTKKKARSILTG-----APFVIHDIETLWQAEKGLVWKQLVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDM-

General information: TITO was launched using: RESULT: Template: 5U42.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1135 -84342 -74.31 -323.15 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -74.31 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_5U42.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u42-query.scw PDB file : Tito_Scwrl_5U42.pdb: