Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYRHHFHAGNFADVMKHVLLLQLLNRLNAKDKPYRYIDTHGGAGKYDLSQAPAQKSGEFLTGIHRLVQLSGMEKRQAPEAIQQYLKLVEELRAQEGKGSYPGSPWFALQGMREIDKATIFEMQRDVFQQLRHNIH-DKRAGLHERDAYEGLLAVIPPKEKRGLVMIDPPYELERKDFPQLVELLQSAYKKWPTGVFAVWYPIKDRAMIERFEKKMFKTGIRRQLICEICVWPDDTPVGLNGCGLLVINPPWQFSEQADQALQWLFPHLRMQETGGHAAVRWLVGE 2OO3 Chain:A ((10-260)) -------HAGNFADVIKHITLTRLLAYLTHKDKPLFYLETHSGRGIYDLKDK----TEEYKEGINPV----WLDRENLPSLFLEYISVIKQINLNSTLSYYPGSPYFAINQLRSQDRLYLCELHPTEYNFLLKLPHFNKKVYVNHTDGVSKLNALLPPPEKRGLIFIDPSYE-RKEEYKEIPYAIKNAYSKFSTGLYCVWYPVVNKAWTEQFLRKMREISSKSVRI-ELHLNPLINE-GMTGCGLWIINPPYTFPSEIKLVLETL---------------------

General information: TITO was launched using: RESULT: Template: 2OO3.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 : 1273 -84217 -66.16 -342.35 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -66.16 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_2OO3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OO3-query.scw PDB file : Tito_Scwrl_2OO3.pdb: