Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSAFKRFVQQSPSTVKDNVFAVVAYCPINNLANADLGYEWQYNASRNDSNTGNLNGVSYSAGPQLTASKEIAEKFPMYLQTLNLKLPNGQQLTAENMPDQIKEQIKSEIERQLAKGTPVPNFGENFVSSKATLVNDWLKHDGSKVTEIDYQKFLNYVAANQALKTVVAFDAVGVNGNTAISGETNLFGDSQNEYNNFTQWSWDHNSKTADGSGQDDTGLSWENYLNSNSSTANLLKDQLKMVNPIAYLNTTTDTAPYWYIRHGVLDRDTSFAMQMILYYAVTNDPKVKDTNFKLPYLTGHAGNYDVQEAFKWINEKLNTTQ 3WI3 Chain:A ((8-275)) -YSDPKEYIESKYYDALFSIHTPLAYFVKSNLVRLKNTCRTKYGSD-----------------SYKIAYQAMLQKF--LLSIVQFKDRHDNRLLLEPFSSPIADEKRKNCLTKFVIQDENKN----------------------SSTIADLCVVLK--SREIKLQILLLLEIIGLNDL---------------------DWNFRDFDYCEQLDLYLDRACILDILLSSETGTIQEHKKN-------------------------ILDKSKEASLVGFINYV------------LIPYF-----NKKVPHAVEFIIQKLKGPS

General information: TITO was launched using: RESULT: Template: 3WI3.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 : 882 -65726 -74.52 -305.70 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -74.52 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_3WI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WI3-query.scw PDB file : Tito_Scwrl_3WI3.pdb: