Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNANRYTGLVDRYRDRLPVSATTRAISLGEGNTPLIKLENIPRIIGKDVEIYVKYEGLNPTGSFKDRGMTMAVTKAVEEGSKAIICASTGNTSAAAAAYAARAGIKAFVLIPEGKIAMGKMAQAMMYGAITMQIRGNFDDGMRLVKEVADQAPVTIVNSINPYRLQGQKTIAYEIVEALGRAPDYHCLPVGNAGNITAHWMGYTEAVANQPADQFEQVVYDAATDQFTGPKPEGLPTMVGYQASGAAPFLRGAPVEKPETVATAIRIGNPQSWNHAKAVVRDSKGWFDELQDSEILEAQRLLSMYEGVFVEPASAASIGGAIRDIKAGKIAEGSVIVCTVTGNGLKDPDTAIKQCADAVMLSIDATMDQVKDSILSNM 3AEY Chain:B ((2-333)) ------RPPLIERYRNLLPVSEKTPVISLLEGSTPLIPLKGPEEARKKGIRLYAKYEGLNPTGSFKDRGMTLAVSKAVEGGAQAVACASTGNTAASAAAYAARAGILAIVVLPAGY-ALGKVAQSLVHGARIVQVEGNFDDALRLTQKLTEAFPVALVNSVNPHRLEGQKTLAFEVVDELGDAPHYHALPVGNAGNITAHWMGYKAYHAL--------------------GKAKRLPRMLGFQAAGAAPLVLGRPVERPETLATAIRIGNPASWQGAVRAKEESGGVIEAVTDEEILFAYRYLAREEGIFCEPASAAAMAGVFKLLREGRLEPESTVVLTLTGHGLKDPATAERVAEL---------------------

General information: TITO was launched using: RESULT: Template: 3AEY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2124 -137204 -64.60 -414.51 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -64.60 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_3AEY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AEY-query.scw PDB file : Tito_Scwrl_3AEY.pdb: