Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIQAISIKKTIGGNPLFEDLSCQIEAGEKIALVGINGTGKSTFLQILTGREGVDSGVISRKKG-LKIGTVEQELT-VS-E-------ATVNHYLLHSAAEIQDLKQQMSRYEALMTEPDTNLEKCLARYGELQHRFEELGGYVLEDRIAAILQGLGIPHRQEAR-LTELSGGERVKVALAKILAADADLLLLDEPTNHLDLNSIRWLENYLQNT---KKSVLVVSHDRQFLDQVTTKTWELEEGALIEYPGNYSRFRVLKEARLAELTKNYELQQKEVQRLKVMIRRFRQWAHEGDNESFFKKAKELERRLAKLTLVKPPPPPKNRLQSLSNGGKSGKEVFIIQNLHQQYADQVLFKDSSFAVYRGDHLAIIGDNGAGKSTLLKLLLGEEKPYGGTIKLGSSLQIGYLPQQLQFADPDSRLLAYAITLT--G--NEEVARRQLAKSGFYQSDVGKRIKDLSGGEKIRLALLKLFLEKINVLILDEPTNHLDSYAREEIEEMLQDY----QGTLLAVSHDRYFLQQHFQEALVIDQEQISRQPLGQLID 1YQT Chain:A ((25-481)) -----EDCVHRYGVNAFVLYRLPVVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKPQYVDLIPKA--VKG--------------KVIELL-------------KKADETGKLEEVVKALELEN-VLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSD-IIHVVYGEPGVY-GIFSQPKGTRNGI-------N-----EF--LRGYLKDEN--V-----RF--RPY---EIKFTKTG----ER--------VE---IERETLVTYPRLVKDY-GSFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWD--LTVAYKPQYIK-ADYEGTVYELLSKIDASKLNSNFYKTELLKPLGII-DLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEGEPGK---------

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 : 2243 24792 11.05 56.99 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 11.05 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.362

(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: