Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence RSCKVQKKSRNKCQFCRFQKCLMLGMSHDAIRYGRMPEAEKRKLVAGLLAGERGSQNSNESDLKTLAKRVNNAYLKNLNMTKKKARNILTGKTSASTPFVIHDMDSLVQAENGLVWNQVIHGAPPNNEIGVHVFYRCQCTTVETVRELNEFSKSIPGFIDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGRGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVHQVEKIQDSILQALNQHLQLNHPDGRFIFPRLLQKLADLRQLVTENAQLVQKIKKTESETSLHPLLQEIYRDLY 5U3R Chain:B ((4-271)) ------------------------------------------------------------ADLKAFSKHIYNAYLKNFNMTKKKARSILTG-----APFVIHDIETLWQAEKGLVW--LVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDM-

General information: TITO was launched using: RESULT: Template: 5U3R.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 : 1175 -184467 -156.99 -706.77 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -156.99 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_5U3R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u3r-query.scw PDB file : Tito_Scwrl_5U3R.pdb: