Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVIQELKEREVGKVLANEPLANHTTMKIGGPADVLVIPSSVDAVKDIMDVIKKYDVKWTVIGRGSNLLVLDEGIRGVVIKLGAGLDH-LELEGEQVTVGGGYSVVRLATSLSKKGLSGLEFAAGIPGSVGGAVYMNAGAHGSDMSEILVKAHILFEDGTIEWLTNEQMDFSYRTSVLQKKR-PGVCLEAVLQLEQKDKESIVQQMQSNKDYRKNTQPYSSPCAGSIFRNPLPNHAGNLVEKAGLKGYQIGGAKISEMHGNFIVNAGGASAKDVLDLIDHVKKTIREKYEIDMHTEVEIIGGNR 4PYT Chain:A ((1-302)) MDKVIQELKDLQVGKVLENEPLANHTTIKIGGPADCLVIPKDIQAVRDTMEVVKNHGVQWRAIGRGSNLLVLDEGIRGVVIKLGA-GLDHMEIDGEQVTVGGGYSVVRLSTGISKKGLSGLEFASGIPGSVGGAVYMNAGAHGSDISRILVKALILFEDGTMEWLTNEEMEFSYRTSILQN-KRPGICLEAVLQLEQKERDAIVAQMQKNKDYRKETQPVSNPCAGSIFRNPLPDHAGRLVEQAGLKGHRIGGAKVSEMHGNFIVNAGGATAKDVLDLIAFIQKTIKEKYDIDMHTEVEIVGEK-

General information: TITO was launched using: RESULT: Template: 4PYT.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 : 1741 -209796 -120.50 -699.32 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.96 3D Compatibility (PKB) : -120.50 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.96 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_4PYT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYT-query.scw PDB file : Tito_Scwrl_4PYT.pdb: