Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence RSCKVQKKSRNKCQFCRFQKCLMLGMSHDAIRYGRMPEAEKRKLVAGLLAGERGSQNSNESDLKTLAKRVNNAYLKNLNMTKKKARNILTGKTSASTPFVIHDMDSLVQAENGLVWNQVIHGAPPNNEIGVHVFYRCQCTTVETVRELNEFSKSIPGFIDLFLNDQVTLLKYGVHEAIFAMLPSLMNKDGLLVANGRGFVTREFLRSLRKPFSEIMEPKFEFAVKFNALELDDSDLALFVAAIILCGDRPGLMNVHQVEKIQDSILQALNQHLQLNHPDGRFIFPRLLQKLADLRQLVTENAQLVQKIKKTESETSLHPLLQEIYRDLY 2AWH Chain:B ((1-267)) -------------------------------------------------------------DLKAFSKHIYNAYLKNFNMTKKKARSILT------APFVIHDIETLWQAEKGLVW-----------EISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQQLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDM-

General information: TITO was launched using: RESULT: Template: 2AWH.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 : 1127 -185091 -164.23 -740.36 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -164.23 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_2AWH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2awh-query.scw PDB file : Tito_Scwrl_2AWH.pdb: