Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMIWGDGTFVMASGQLLCFARLFLLVPQLSSDA-PDTILPDILEAFERHQDLHRVCGSPLSARPQPGLT-NRVFRLEAEKGTFFLRLPRLEAAG-NIDRKAEARNLMLAAATG-IAVPPVFC---DAEAGILVTRAVKVSGSPAALSEQPSYSLARALGEALGQLHGSGVTFEGLLDPDSVL---------QAQWQGLRDAVRCREEMTGLEI----------VLQPIGAA-TADGAGPALVPSHGDPSPGNCLMSCDQLWLIDWEFSGMSDPAWDLAYAVLEHEMSADEEQVFLQAYAATGAAVPEADRLCVMKAKCDAVSALWALEQVAAGRDEDVFLPFARQRRGRALRQLARLS-- 3JR1 Chain:A ((14-309)) ---------------------------NLYFQGMWKSISQVLAEQFGAYY-------FIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMF---RAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEALNKSKNKQ--------SSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSIL--HGNLWIENCIQVDDKIFVCNP-ACYWGDRECDIAFSSLFEPFP----TNFYQRYNEIYPLEEG------YLERKLIYQLYYLLNFSYRYYNKK------QSYVSLTQKLINQILHK

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 : 1297 -11772 -9.08 -44.09 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -9.08 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.359

(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: