Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYRHHFHAGNFADVMKHVLLLQLLNRLNAKDKPYRYIDTHGGAGKYDLSQAPAQKSGEFLTGIHRLVQLSGMEKRQAPEAIQQYLKLVEELRAQEGKGSYPGSPWFALQGMR-EIDKATIFEMQRDVFQQLRHNIHD--KRAGLHERDAYEGLLAVIPPKEKRGLVMIDPPYELER--------KDFPQLVELLQSAYKKWPTGVFAVWYPIKDRAMIERFEKKMFKTGIRRQLICEICVWPDDTPVGLNGCGLLVINPPWQFSEQADQALQWLFPHLRMQETGGHAAVRWLVGE 4DMG Chain:A ((216-328)) ----------------------------------------------------------------------------------------------ERVLDVYSYVGGFALRAARKGA-YALAVDKDLEALGVLDQAALRLGLRVDIRHGEALPTLRGL---EGPFHHVLLDPPTLVKRPEELPAMKRHLVDLVREALRLLA--EEGFLWLSSCS-----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DMG.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 : 450 4925 10.94 48.28 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 10.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_4DMG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DMG-query.scw PDB file : Tito_Scwrl_4DMG.pdb: