Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVIQELKEREVGKVLANEPLANHTTMKIGGPADVLVIPSSVDAVKDIMDVIKKYDVKWTVIGRGSNLLVLDEGIRGVVIKLGAGLDHL-ELE--GEQVTVGGGYSVVRLATSLSKKGLSGLEFAAGIPGSVGGAVYMNAGAHGSDMSEILVKAHILFE-DGTIEWLTNEQMDFSYRTSVLQKKR-PGVCLEAVLQLEQKDK-----ESIVQQ--------------MQSNKDYRKNTQPY--SSPCAGSIFRNPLP--------------------------NHAGNLVEKAGLKGYQIGGAKISEMHGNFIVNAGGASAKDVLDLIDHVKKTIREKYEIDMHTEVEIIGGNR 4JB1 Chain:A ((4-340)) -------------LELQEHCSLKPYNTFGIDVRARLLAHARDEADVREALALARERGLPLLVIGGGSNLLLTRD-VEALVLRMASQGRRIVSDAADSVLVEAEAGEAWDPFVQWSLERGLAGLENLSLIPGTVGAAPMQNIGAYGVELKDVFDSLTALDRQDGTLREFDRQACRFGYRDSLFKQEPDRWLILRVRLRLTRRERLHLDYGPVRQRLEEEGIASPTARDVSRVICAIRREKLPDPAVLGNAGSFFKNPLVDATQAERLRQAFPDLVGYPQADGRLKLAAGWLIDKGGWKGFRDGPVGVHAQQALVLVNHGGATGAQVRALAERIQEDVRRRFGVELEPEPNLY----

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 : 1547 -170041 -109.92 -596.63 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -109.92 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.551

(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: