Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQYIYTMNRVSKMVPPKREILKDISLSFFPGAKIGVLGLNGAGKSTLLRIMAGVDKDFSGEARAQPGIKIGYLEQEPPLDPTKDVRGNVEDGVR--EALDALERLDQVFAEYADPDADFDALAKE-QEKLESIIHAWDAHNLNNQLEIAADALNLPAWDADVTKLSGGERRRVALCRLLLSKPDMLLLDEPTNHLDAE---SVSWLERFLKDFPGTIVAITHDRYFLDNVAEWILELDRGHGIPYQGNYTSWLEQKNARLEQEQKQEESFAKALKKELEWVRQNAKGQQKKNKARME----RFEELNSREFQQRNETSEIYIPPGPRLGNKVVEVENISKSFGDRLLYENLSFTVPPAAI-----VGIVGPNGAGKTTLFRMMTGEQKPDTGTVTLGDSVKVAYVGQIRDTLDDNKTVWEEVSGGLDILKVGDYEIASRAY-------IGRFNFKGQDQQKRVGELSGGERNRLQLAKILQQGANVILLDEPSNDLDVETLRALEDAILVF----PGTVMVVSHDRWFLDRIATHILSFEDEQPEFYTGNYTEFEAYRRAKLGDDAQPHRKKYKKISG 3BK7 Chain:A ((117-548)) -------------------------------GMVVGIVGPNGTGKTTAVKILAG--------------------QLIPNLCEDNDSWDNVIRAFRGNELQNYFERLKNGEIRPVVKPQYVDLLPKAVKGKVRELLKKVDEVGKFEEVVKELELENV--LDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVV---YGEP--GVYGIFSKPKGTR-------------------NGINEFLQGYLKDENVRFRPYEIRFTKLSERVDVER-ET--------------LVEYPRLVKDYG------SFKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEW--DLTVAYKPQYIKA-EYEGTVYELLS------KIDSSKLNSNFYKTELLKPLGIIDL----YDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEGE------------------------------------

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 : 1858 33243 17.89 81.88 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 17.89 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.352

(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: