Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVIQELKEREVGKVLANEPLANHTTMKIGGPADVLVIPSSVDAVKDIMDVIKKYDVKWTVIGRGSNLLVLDEGIRGVVIKLGAGLD-HLELEGEQVTVGGGYSVVRLATSLSKKGLSGLEFAAGIPGSVGGAVYMNAGAHGSDMSEILVKA-HILFEDGTIEWLTNEQMDFSYRTSVLQKKRP--------GVCLEAVLQ-------LEQKDKESIVQQMQSNKDYRKNTQPYSSP----CAGSIFRNPL----------------PNH----------AGNLVEKAGLKGYQIGGAKISEMHGNFIVNAGGASAKDVLDLIDHVKKTIREKYEIDMHTEVEIIGGNR 2MBR Chain:A ((43-330)) -------------------------------------------------------------ILGEGSNVLFLEDYRGTVIINRIKGIEIHDEPDAWYLHVGAGENWHRLVKYTLQEGMPGLENLALIPGCVGSSPIQNIGAYGVELQRVCAYVDSVELATGKQVRLTAKECRFGYRDSIFKHEYQDRFAIVAVGLRLPKEWQPVLTYGDLTRLDPTTVTPQQVFNAVCHMRTTKLPDPKVNGNAGSFFKNPVVSAETAKALLSQFPTAPNYPQADGSVKLAAGWLIDQCQLKGMQIGGAAVHRQQALVLINEDNAKSEDVVQLAHHVRQKVGEKFNVWLEPEVRFIGAS-

General information: TITO was launched using: RESULT: Template: 2MBR.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 : 1147 -114089 -99.47 -473.40 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -99.47 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_2MBR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2MBR-query.scw PDB file : Tito_Scwrl_2MBR.pdb: