Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIQAISIKKTIGGNPLFEDLSCQIEAGEKIALVGINGTGKSTFLQILTGR------EGVDS--GVISRKKGLKIGTVEQELTVSEATVNHYLLHSAAEIQDLKQQMSRYEALMTEPDTNLEKCLARYGELQHRFEELGGYVLEDRIAAILQGLGIPHRQEARLTELSGGERVKVALAKILAADADLLLLDEPTNHLD----LNSIRWLENYLQNTKKSVLVVSHDRQFLDQVTTKTWELEEGALIEYPGNYSRFRVLKEAR--LAELTKNYELQQKEVQRLKVMIRRFRQWAHEGDNESFFKKAKELERRLAKLTLVKPPPPPKNRLQSLSNGGKSGKEVFIIQNLHQQYADQVLFKDSSFAVYRGDHLAIIGDNGAGKSTLLKLLLGEEKPYGGTIKLGSSLQIGYLPQQLQFADPDSRLLAYAITLTGNEEVARRQLAKSGFYQSDV----------GKRIKDLSGGEKIRLALLKLFLEKINVLILDEPTNHLDSYAR----EEIEEMLQDYQGTLLAVSHDRYFLQQHFQEALVIDQEQISRQPLGQLID 1YQT Chain:A ((44-461)) ------------------------VKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRG-------NELQ------NYFEKLKNGEIRPVVK--PQYVDLI--PKAVKGKVI----ELLKKADETG------KLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRR-LSEEGKSVLVVEHDLAVLDYLSDIIH-----VVYGEPGVYGIFSQPKGTRNGINEFLRGY-LKDENV--------RFRPYEIK-----FTKTGERVE--IERETLVTYP------------------------RLVKDYGSFRLEVEPG-EIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEW--DLTVAYKPQYIK-ADYEGTVYELLSKIDASK-------LNSNFYKTELLKPLGIIDLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHD-----------------------------

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 : 1773 60744 34.26 155.75 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 34.26 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.364

(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: