Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKLVKANLRRKEQA-FIDVVSPLLQDVGINPSLVQGIDVKVGR-NQSAVLEVDGNQQYFVKLIQGSDGV-ARFRRSKDFENWVINKSIKFATPKLLAFSKDQRALMFEFARCDTNLGEMLGDKFIDSVTAMKVAVAIGSLHTSTVSISDNIESDLPV--------LPPQFPGLISLDYFENATIGERNLWRILQNDAELLEALDLLVDS-RINFVPIHGDFRPDQVFFRADEVVLLDFEEFRLGDPARDLGSFIGDLFYHKMSWIAVGAQGTDGRLTHESLLERGVDLLGQVRPIIQSFWEKYCIFCCGAQSETWKMTQPNLANRVTGYAGWHLFDR-SLARSALSGRLTANDRALNGIGRNLIINSGMFAQELGLGE 3JR1 Chain:A ((14-309)) ---------NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLIN-DEVQTVFVKINERSYRSMF-RAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEA----------LNKSKNKQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDDKIFVCN--------PA----CYWGDR-------------------------ECDIAFSSLFEPFPTNFYQRYNEI---------YPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK----------------

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1397 3527 2.52 12.46 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 2.52 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: