Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIQAISIKKTIGGNPLFEDLSCQIEAGE-KIALVGINGTGKSTFLQILTGREGVDSGVISRKKGLKIGTVEQELTVSEATVNHYLLHSAAEIQDLKQQMSRYEALMT-EPDTNLEKCLARYGELQHRFEELGGYVLEDRIAAILQGLGIPHRQEARLTELSGGERVKVALAKILAADADLLLLDEPTNHLDLNSIRWLENYLQNTKK---SVLVVSHDRQFLDQVTTKTWELEEGALIEYPGNYSRFRVLKEARLAELTKNYELQQKEVQRLKVMIRRFRQWAHEGDNESFFKKAKELERRLAKLTLVKPPPPPKNRLQSLSNGGKSGKEVFIIQNLHQQYADQVLFKDSSFAVYRGDHLAIIGDNGAGKSTLLK-LLLGEEKPYGGTIKLGSSLQIGYLPQQLQFADPDSRLLAYAITLTGNEEVARRQLAKSGFYQSDVGKRIKDLSGGEKIRLALLKLFLEKINVLILDEPTNHLDSYAREEIEEMLQDY-QG---TLLAVSHD---------RY-FLQQHFQEALVIDQEQIS-R-QPL-GQLID-------------------------------------- 1YQT Chain:A ((24-538)) ----EEDCVHRYGVNAF-VLYRLPVVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLC----------GDNDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKPQYVDLIPKAVKGKVIELLKKADET----------GKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYL-------------------------------------------SDIIHVVYGEPGVYGIFSQPKGTRNGINEFLRGYLKDENVRFRPYEIKFTKTGERVEIERETLVTYPRLVKDY-GSFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLA-GVEEPTEGKIEWDLTVAYKPQYIKADYEGTVYELLSKIDASKLNSNFYKTELLKPLGIIDLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEG---EPGKYGRALPPMGMREGMNRFLASIGITFRRDPDTGRPRANKEGSVKDREQKEKGEYYYIA

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 : 2467 126736 51.37 279.15 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 51.37 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.280

(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: