Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNANRYTGLVDRYRDRLPVSATTRAISLGEGNTPLIKLENIPRIIGKDVEIYVKYEGLNPTGSFKDRGMTMAVTKAVEEGSKAIICASTGNTSAAAAAYAARAGIKAFVLIPEGKIAMGKMAQAMMYGAITMQIRGNFDDGMRLVKEVADQAP-VTIVNSINPYRLQGQKTIAYEIVEALGRAPDYHCLPVGNAGNITAHWMGYTEAVANQPADQFEQVVYDAATDQFTGPKPEGLPTMVGYQASGAAPFLRGAPVEKPETVATAIRIGNPQSWNHAKAVVRDSKGWFDELQDSEILEAQRLLSMYEGVFVEPASAASIGGAIRDIKAGKIAEGSVIVCTVTGNGLKDPDTAIKQCADAVMLSIDATMDQVKDSILSNM 2D1F Chain:A ((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 A - contact count / total energy / energy per contact / energy per residue : 2108 -98716 -46.83 -302.81 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -46.83 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.470

(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: