Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIEMKDIHKTFGK-------NQVLSGVSFQL-MPGEVHALMGENGAGKSTLMNILTGLHKADKGQIS---------INGNETYFSNPKE-AEQHGIAFIHQELNIWPEMTVLENLFIGKEISSKLGVLQTRKMKALAKEQFDKLSVSLSLDQEAGECSVGQQQMIEIAKALMTNAEVIIMDEPTAALTEREISKLFEVITALKKNGVSIVYISHRMEEIFAICDRITIMRDGKTVDTTNISET-DFDEVVKKMVG---------RELTERYPKRT---PSLGDKVFEVKNASV---KGSFEDVSFYVRSGEIVGVSGLMGAGRTEMMRALFGVDRLDTGEIWIAGKKTAIKNPQEAVKKGLGFITENRKDEGLLLDTSIRENIALPNLSSFSPKGLIDHKREAEFVDLLIKRLTIKTASPETHARHLSGGNQQKVVIAKWIGIGPKVLILDEPTRGVDVGAKREIYTLMNELTE-RGVAIIMVSSELPEILGMSDRIIVVHEGRISGEIHAREATQERIMTLATGGR 3BK7 Chain:A ((83-547)) -AISIVNLPEQLDEDCVHRYGVNAFVLYRLPIVKDGMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRGNELQNYFERLKNGEIRPVVKPQYVDLLPK-AVKGKVRE---------LLKKVDEVGKFEEVVKELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVVYGEPGVYGIFSKPKGTRNGINEFLQGYLKDENVRFRPYEIRFTKLSERVDVERETLVEYPRLVKDYGSFKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDL--------------TVAYKPQYIK---AEYEGTVYELLSKIDSSK-----L----NSNFYKTELLKPLGII-DLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEG-------------------------

General information: TITO was launched using: RESULT: Template: 3BK7.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 : 2032 45881 22.58 106.70 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 22.58 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.412

(partial model without unconserved sides chains): PDB file : Tito_3BK7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BK7-query.scw PDB file : Tito_Scwrl_3BK7.pdb: