Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNANRYTGLVDRYRDRLPVSATTRAISLGEGNTPLIKLENIPRIIGKDVEIYVKYEGLNPTGSFKDRGMTMAVTKAVEEGSKAIICASTGNTSAAAAAYAARAGIKAFVLIPEGKIAMGKMAQAMMYGAITMQIRGNFDDGMRLVKEVADQAP-VTIVNSINPYRLQGQKTIAYEIVEALGRAPDYHCLPVGNAGNITAHWMGYTEAVANQPADQFEQVVYDAATDQFTGPKPEGLPTMVGYQASGAAPFLRGAPVEKPETVATAIRIGNPQSWNHAKAVVRDSKGWFDELQDSEILEAQRLLSMYEGVFVEPASAASIGGAIRDIKAGKIAEGSVIVCTVTGNGLKDPDTAIKQCADAVMLSIDATMDQVKDSILSNM 2D1F Chain:B ((12-338)) ------WPGVIAAYRDRLPVGDDWTPVTLLEGGTPLIAATNLSKQTG--CTIHLKVEGLNPTGSFKDRGMTMAVTDALAHGQRAVLCASTGNTSASAAAYAARAGITCAVLIPQGKIAMGKLAQAVMHGAKIIQIDGNFDDCLELARKMAADFPTISLVNSVNPVRIEGQKTAAFEIVDVLGTAPDVHALPVGNAGNITAYWKGYTE---------YHQL---GLIDK--------LPRMLGTQAAGAAPLVLGEPVSHPETIATAIRIGSPASWTSAVEAQQQSKGRFLAASDEEILAAYHLVARVEGVFVEPASAASIAGLLKAIDDGWVARGSTVVCTVTGNGLKDPDTALK-------------------------

General information: TITO was launched using: RESULT: Template: 2D1F.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 : 2086 -96995 -46.50 -297.53 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -46.50 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_2D1F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2D1F-query.scw PDB file : Tito_Scwrl_2D1F.pdb: