Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTEQPNWLM-QRAQLTPERIALI--YEDQTVTFAELFAASKRMAEQLAAHSVRKGDTAAILLQNRAEMVYAVHACFLLGVKAVLLNTKLSTHERLFQLEDSGSGFLLTDSS---------FEKKEYEHIVQTIDVDELMKE----AAEEIEIEAYMQMDATATLMYTSGTTGKPKGVQQTFGNHYFSAVSSALNLGITEQDRWLIALPLFHISGLSALFKSVIYGMTVVLHQRFSVSDVLHSINRHEVTMISAVQTMLASLLEETNRCPE-------SIRCILLGGGPAPLPLLEECREKGFPVFQSYGMTETCSQIVTLSPEFSMEKLGSAGKPLFSCEIKIERDGQVCEPYEHGEIMVKGPNVMKSYFNRESANEASFQNGWLKTGDLGYLDNEGFLYVLDRRSDLIISGGENIYPAEVESVLLSHPAVAEAGVSGAEDKKWGKVPHAYLVLHK-PVSAGELTDYCKERLAKYKIPAKFFVLDRLPRNASNKLLRNQLKDARKGELL 3R44 Chain:A ((19-509)) ------GWMLRQRATVSPRLQAYVEPSTDVRMTYAQMNALANRCADVLTALGIAKGDRVALLMPNSVEFCCLFYGAAKLGAVAVPINTRLAAPEVSFILSDSGSKVVIYGAPSAPVIDAIRAQADPPGTVTDWIGADSLAERLRSAAADEPAVEC--GGDDNLFIMYTS---GHPKGVVHTHESVHSAASSWASTIDVRYRDRLLLPLPMFHVAALTTVIFSAMRGVTLISMPQFDATKVWSLIVEERVCIGGAVPAILNFM----RQVPEFAELDAPDFRYFITGGAPMPEALIKIYAAKNIEVVQGYALTESCGGGTLLLSEDALRKAGSAGRATMFTDVAVRGDDGVIREHGEGEVVIKSDILLKEYWNRPEATRDAFDNGWFRTGDIGEIDDEGYLYIKDRLKDMIISGGENVYPAEIESVIIGVPGVSEVAVIGLPDEKWGEIAAAIVVADQNEVSEQQIVEYCGTRLARYKLPKKVIFAEAIPRNPTGKILKTVLRE-------

General information: TITO was launched using: RESULT: Template: 3R44.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 : 2716 -9952 -3.66 -21.45 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -3.66 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_3R44.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R44-query.scw PDB file : Tito_Scwrl_3R44.pdb: