Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence AMCRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYERCERACKVQKKSRNKCQYCRFQKCLALGMSHDAIRYGRMPEAEKKKLVAGLLAGENPQSSSGTDLKTLAKHVNTAYLRNLNMTKKRARSILTGKTSCTAPFVIHDMDSLWQAENGLVWNQL-NGAPLNKEIGVHVFYRCQCTTVETVRELTEFAKNIPGFVDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGKGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVKQVEQIQDGILQALDQHLQVHHPDSSHLFPKLLQKMADLRQLVTENAQLVQMIKKTESETSLHPLLQEIYRDLY 5U3V Chain:B ((5-271)) -----------------------------------------------------------------------------------------------------DLKAFSKHIYNAYLKNFNMTKKKARSILTGKA---APFVIHDIETLWQAEKGLVWKQLVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDM-

General information: TITO was launched using: RESULT: Template: 5U3V.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 : 1148 -89632 -78.08 -340.81 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -78.08 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_5U3V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u3v-query.scw PDB file : Tito_Scwrl_5U3V.pdb: