Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQYIYTMNRVSKMVPPKREILKDISLSFFPGAKIGVLGLNGAGKSTLLRIMAGVDKDFSGEARAQP-GIKIGYLEQEPP-LD-------PTKDVRGNVEDGVREALDALERLDQVFAEYADPDADFDALAKEQEKLESIIHAWDAHNLNNQLEIAADALNLPA-WDADVTKLSGGERRRVALCRLLLSKPDMLLLDEPTNHLDAESVSWLERFLKDF---PGTIVAITHDRYFLDNVAEWILELDRGHGIPYQGNYTSWLEQKNARLEQEQKQEESFAKALKKELEWVRQNAKGQQKKNKARMERFEELNSREFQQRNETSEIYIPPGPRLGNKVVEVENISKSFGDRLLYENLSFTVPPAAIVGIVGPNGAGKTTLFRMMTGEQKPDTGTVTLGDSVKVAYVGQIRDTLDDNKTVWEEVSGGLDILKVGDYEIASRAYIGRFNFKGQDQQKRVGELSGGERNRLQLAKILQQGANVILLDEPSNDLDVETLRALEDAILVFP----GTVMVVSHDRWFLDRIATHILSFEDEQPEFYTGNYTEFEAYRRAKLGDDAQPHRKKYKKISG 1YQT Chain:A ((25-480)) --------EDCVHRYGV-NAFVLYRLPVVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKPQYVDLIPK------AV-------K-------------GKVIELLKKA---DETGKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDII-HVVYGEPGVY-GIFSQPKGTRN-------GIN----EFLR--GYLKD--ENVRF---RPYEIKFTKT----GER--------VE---IERETLVTYPRLVKDYG-SFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWD--LTVAYKPQYIKA-DYEGTVYELLSKIDASK-L-NSNFYKTELLKPLGIID-LYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFE-GEPG---------------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 2307 22133 9.59 50.42 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 9.59 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: