Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METLQHLILHDMPNSEEIEAVKSGDHTLTYKGYRKRINQLANAMLQKGIQKGDRVALLCKNGHPASTVMFAALEIGAVVVPVSWQLKPYEMTGILKASEPKAMFYGAEFKEILDEVLPELSSLCVTMETGTAYETSAEFEALFAGPDHLPETEMVSPDDTALLMFTSGTTGNPKRCMITHGGIYRYVKKSNSSIARMKGLRFLACHPIYHTSALICIMLGTFAETTFVFTKDQDPVHMLKVIEEEKIQTVMALPVFYTYLLEAWEKHQTDLSSLVILMTGGTKVPSSLISRYLDIGIPLAHGYGSTEAWGISTWT-PDMGMDKAASAGKPV--AGVKVKVEDPLTGEELPQGEIGEIVVHTPFLFKGYEDNPEATAKVLQNGWFRTGDSGYVDEDGFIFITGRYKDVIIYGGDNVYPDQVEEVIQQIPGILETAVVGIPDPLYGEKPKAFIVKNGGQRITEEDVIAFCKERLSAYKIP-EVEFVNELPKNNLGKVKKDVLRNQAVHS 3R44 Chain:A ((39-510)) ----------------------STDVRMTYAQMNALANRCADVLTALGIAKGDRVALLMPNSVEFCCLFYGAAKLGAVAVPINTRLAAPEVSFILSDSGSKVVIYGAPSAPVIDAIRAQADPPGTVTDWIGADSLA---ERLRSAAADEPAVE-CGGDDNLFIMYTS---GHPKGVVHTHESVHSAASSWASTIDVRYRDRLLLPLPMFHVAALTTVIFSAMRGVTLISMPQFDATKVWSLIVEERVCIGGAVPAILNFMRQVPEFAELDAPDFRYFITGGAPMPEALIKIYAAKNIEVVQGYALTESCGGGTLLLSEDALRKAGSAGRATMFTDVAVRGDDGVIRE---HGE-GEVVIKSDILLKEYWNRPEATRDAFDNGWFRTGDIGEIDDEGYLYIKDRLKDMIISGGENVYPAEIESVIIGVPGVSEVAVIGLPDEKWGEIAAAIVVADQNE-VSEQQIVEYCGTRLARYKLPKKVIFAEAIPRNPTGKILKTVLREQ----

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 : 2652 -311343 -117.40 -669.55 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -117.40 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.496

(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: