Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIVRIETFPLFHRLEKPYGDANGFKRYRTCYLIRIITESGIDGWGECVDWLPALHVGFTKRII-----PFLLGKQAGSRLSLVRTIQKWHQR-------------AASAVSMALTEIAAKAADCSVCELWGGRYREEIPVYASFQSYSDSPQWISRSVSNVEAQLKKGFEQIKVKIGGTSFKEDVRHINALQHTAGSSITMILDANQSYDAAAAFKWERYFSEWTNIGWLEEPLPFDQPQDYAMLR--SRLS--VPVAGGENMKGPAQYVPLLSQRCLDIIQPDVMHVNGIDEFRDCLQLARYFGVRASAHAYDGSLSRLYAL----------FAQACLPPWSKMKNDHIEPIEWDVMENPFTDLVSLQ---PSKGMVHIPKGKGIGTEINMEIVNRY-KWDGSAY 3BJS Chain:A ((39-412)) MKITKINAIPLSYRLP-TVTMGVGSTIKRDAIIIRVETSEGITGYGEA---HPGRSPGAITSLIHNTIAPMLIGMKA---TDCVGAWQRVHRMQLSSHGLGAGAALAISGIDMALWDIRGKAANMPLYELLGGSKRR-IPAYAGGIALGYQPK--ESLAEEAQEYIARGYKALKLRIGDAA-RVDIERVRHVRKVLGDEVDILTDANTAYTMADARRVLPVLAE-IQAGWLEEPFACN---DFASYREVAKITPLVPIAAGENHYTRFEFGQMLDAGAVQVWQPDLSKCGGITEGIRIAAMASAYRIPINAHSSATGLNHAATIHFLAATENAGYFEACVSKF-----------------NPFRDMFGT-FEIGADGCVEPPDAPGLGIEVDESIFEKYPAVD----

General information: TITO was launched using: RESULT: Template: 3BJS.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 : 1925 -190360 -98.89 -569.94 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -98.89 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_3BJS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BJS-query.scw PDB file : Tito_Scwrl_3BJS.pdb: