Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADCILKMADITKKFSGIRALDCVNLMIERGEIHALCGENGAGKSTLMNVLSGLYPYGSYDGEIFYDGKLCQFKDLKDSEEKG----------IVIIHQELALSPYLSIKENIFLGNEQAERGVIDWELTEKKTYELLNKVGLSIDPNLLVSQIGVGQQQLVEIAKALSKSVRLLILDEPTAALNEEESANLLRLIRELKEQGVTSIIISHKLNEIVDIADRITILRDGQTIETLENEMISEE--HIIRGMV------GR-DLVD--RYPERKP---DIGEVYFKVEDWTVYHPLDHERIINDHINLHLKKGEIVGIAGLMGAGRTEFAMSLFGHSYGSKISGRILKEGAEISVKTVPSAIANGLAYVSEDRKSLGLNLLMDIRENVTLSSLDKISQKGVLDKEKEVTEAENFRKKMRIKTNSIHQIVSSLSGGNQQKVVLSKWLMTQPDILFLDEPTRGIDVGAKYEIYTIIEEMAA-NGKAVCLISSELPEILGMCDRIYTMNEGRITGEVSREDADQEVLMKLMTKEEVG 1YQT Chain:A ((25-486)) --------EDCVHRYGVNAFVLYRLPVVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGV-IRAFRGNE-LQNYFEKLKNGEIRPVVKPQYVDLIPK-AVKGKVI--------ELLKKADETGKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDII-HVVYGEPGVYGIFSQPKGTRNGINEFLRGYLKDENVRFRPYEIKFTKTGERVEIERETLVTYPRLVK--DYG--SFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVE--EPTEGKIEWDL--------------TVAYKPQYI---KADYEGTVYELLSKIDASK------L---NSNFYKTELLKPLGII-DLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEGEPGKYGRAL------------------

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 : 2280 16434 7.21 37.61 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 7.21 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.397

(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: