Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence RSCKVQKKSRNKCQFCRFQKCLMLGMSHDAIRYGRMPEAEKRKLVAGLLAGERGSQNSNESDLKTLAKRVNNAYLKNLNMTKKKARNILTGKTSASTPFVIHDMDSLVQAENGLVWNQVIHGAPPNNEIGVHVFYRCQCTTVETVRELNEFSKSIPGFIDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGRGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVHQVEKIQDSILQALNQHLQLNHPDGRFIFPRLLQKLADLRQLVTENAQLVQKIKKTESETSLHPLLQEIYRDLY 4BCR Chain:B ((2-273)) -------------------------------------------------------EDSETADLKSLAKRIYEAYLKNFNMNKVKARVILS-------PFVIHDMETLCMAEKTLVAKLVANGIQ-NKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDM-

General information: TITO was launched using: RESULT: Template: 4BCR.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 : 1126 -172390 -153.10 -650.53 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -153.10 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_4BCR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4bcr-query.scw PDB file : Tito_Scwrl_4BCR.pdb: