Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDENKSKALQAALSQIEKQFGKNTVMRLGDNTVQAVEAVSTGSLTLDIALGIGGLPKGRIIEIYGPESSGKTTMTLQAIAQCQKSGGTCAFIDAEHALDPQYARKLGVDIDNLLVSQPDNGEQALEIADMLVRSGAIDLIVVDSVAALTPKAEIEGEMGDSHMGLQARLMSQALRKITGNAKRSNCMVIFINQIRMKIGVMFGSPETTTGGNALKFYASVRLDIRRIGQVKEGDEIVGSETKVKVVKNKMAPPFKEAIFQILYGKGTNQLGELVDLAVQQDIVQKAGAWYSYQGNKIGQGKNNVIRYFEENTQIAEEIERNIREQLLTTGTNGAVQIEDEEEPDLLLES 3CMU Chain:A ((334-730)) --------LAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGEIGDSHMGLAARMMSQAMRKLAGNLKQSNTLLIFINQIRMKIGVMFGNPETTTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLLSNP-------------------

General information: TITO was launched using: RESULT: Template: 3CMU.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 : 1686 -155693 -92.34 -483.52 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.92 3D Compatibility (PKB) : -92.34 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_3CMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CMU-query.scw PDB file : Tito_Scwrl_3CMU.pdb: