Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTSKFNQFVRDIYQTNNFIPLHEPRFLGNEKKYVLDTIDSTFVSSVGAYVNDFESKIQHFTGCAKAIATVNGTAALHIALLLAGVKRDDIVITQALTFVATCNALSYIGAEPLFIDVSLKTMGLCPKALDTYLQENAFLDDQGVCKHTATNKRISAIVPMHTFGHPVEIDELQEVVTRWNIALVEDAAESLGSYYKGKHTGIFGLVSALSFNGNKVITTGGGGMVLCQDEE------------LGVRAKHITTTAKIPHPYEFYHDENGFNYRLPNLNAALGCAQMESLEGFLSKKRDLAHQYQNFFKDTDISFFVEPENCQSNYWLNAIICKNKTQ----RDLILDETNSNKVMTRPIWTLMTRLPMYENALQG-DLTNSLWLEERVVNIPSSVPLE 4OCA Chain:A ((8-362)) ----------------SDFLPFSRPAMGAEELAAVKTVLDSGWITT-GPKNQELEAAFCRLTGNQYAVAVSSATAGMHIALMALGIGEGDEVITPSMTWVSTLNMIVLLGANPVMVDVDRDTLMVTPEHIE-----------------AAITPQTKAIIPVHYAGAPADLDAIYALGERYGIPVIEDAAHATGTSYKGRHIGARG-TAIFSFHAIANITCAEGGIVVTDNPQFADKLRSLKFHGLG--------------AEVL---APGYKYNLPDLNAAIALAQLQKLDALNARRAAIAAQYHQAMADLPFQPLSLPSWEHIHAWHLFIIRVDEARCGITRDALMASLKTKGIGTGLHFRAAHTQKYYRERFPTLTLPDTEWNSERICSLP------

General information: TITO was launched using: RESULT: Template: 4OCA.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 : 1778 -136118 -76.56 -420.12 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -76.56 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_4OCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OCA-query.scw PDB file : Tito_Scwrl_4OCA.pdb: