Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVIQELKEREVGKVLANEPLANHTTMKIGGPADVLVIPSSVDAVKDIMDVIKKYDVKWTVIGRGSNLLVLDEGIRGVVIKLGAGLDHLELEGEQVTVGGGYSVVRLATSLS----------KKGLSGLEFAAGIPGSVGGAVYMNAGAHGSDMSEILVKAHIL-FEDGTIEWLTNEQMDFSYRTSVLQKK--------------------------RPGVCLEAVLQLEQKDKESIVQQMQSNKDYRKNTQPYSSPCAGSIFRNPL-------------PN-------------HAGNLVEKAGLKGYQIGGAKISEMHGNFIVNAGGASAKDVLDLIDHVKKTIREKYEIDMHTEVEIIGGNR 4JB1 Chain:A ((12-336)) ---------------------LKPYNTFGIDVRARLLAHARDEADVREALALARERGLPLLVIGGGSNLL-LTRDVEALVLRMAS-------QGRRIVSDAADSVLVEAEAGEAWDPFVQWSLERGLAGLENLSLIPGTVGAAPMQNIGAYGVELKDVFDSLTALDRQDGTLREFDRQACRFGYRDSLFKQEPDRWLILRVRLRLTRRERLHLDYGPVRQRLEEEGIASPTARDVSRVICAIRRE----KLPDPAVLGNAGSFFKNPLVDATQAERLRQAFPDLVGYPQADGRLKLAAGWLIDKGGWKGFRDGPVGVHAQQALVLVNHGGATGAQVRALAERIQEDVRRRFGVELEPE--------

General information: TITO was launched using: RESULT: Template: 4JB1.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 : 1188 -103541 -87.16 -395.19 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -87.16 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_4JB1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JB1-query.scw PDB file : Tito_Scwrl_4JB1.pdb: