Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence RSCKVQKKSRNKCQFCRFQKCLMLGMSHDAIRYGRMPEAEKRKLVAGLLAGERGSQNSNESDLKTLAKRVNNAYLKNLNMTKKKARNILTGKTSASTPFVIHDMDSLVQAENGLVWNQVIHGAPPNNEIGVHVFYRCQCTTVETVRELNEFSKSIPGFIDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGRGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVHQVEKIQDSILQALNQHLQLNHPDGRFIFPRLLQKLADLRQLVTENAQLVQKIKKTESETSLHPLLQEIYRDLY 5U3Y Chain:A ((4-270)) ------------------------------------------------------------ADLKAFSKHIYNAYLKNFNMTKKKARSILTGKASHTAPFVIHDIETLWQAEKGLVW------LPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKD--

General information: TITO was launched using: RESULT: Template: 5U3Y.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 : 1143 -182330 -159.52 -698.58 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -159.52 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_5U3Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u3y-query.scw PDB file : Tito_Scwrl_5U3Y.pdb: