Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence RSCKVQKKSRNKCQFCRFQKCLMLGMSHDAIRYGRMPEAEKRKLVAGLLAGERGSQNSNESDLKTLAKRVNNAYLKNLNMTKKKARNILTGKTSASTPFVIHDMDSLVQAENGLVWNQVIHGAPPNNEIGVHVFYRCQCTTVETVRELNEFSKSIPGFIDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGRGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVHQVEKIQDSILQALNQHLQLNHPDGRFIFPRLLQKLADLRQLVTENAQLVQKIKKTESETSLHPLLQEIYRDLY 5AZT Chain:B ((5-267)) ---------------------------------------------------------------KSLAKRIYEAYLKNFNMNKVKARVILSGKASN-PPFVIHDMETLCMAEKTL------------KEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLLPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRD--

General information: TITO was launched using: RESULT: Template: 5AZT.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 : 1074 -166587 -155.11 -663.69 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -155.11 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_5AZT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5azt-query.scw PDB file : Tito_Scwrl_5AZT.pdb: