Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MECSMNLADRDGFIWQDGQLIDWRDAKIHVLTHTLHYSMGVFEGVRAYETPKGTAIFRLQDHTKRLLNSAKIYQMKVPYDQAALEQAQIDVVRENKLASCYLRPLIWIGSEKLGI-AATNNTIHAAVAAWAWGAYLGDEAMAKGIRVKTSSFTHHHPNVTMCKAKASGNYTLSILAHQEVAHSGYDEAMLMDPQGYVCQGSGENVFLIKDGVLHTPDIAGGALDGITRQTVMTIAKDLGYEVVERRITRDEFYIADEAFFTGTAAEVTPIREYDDRQIGAGCRGPITTEIQKTFFDAVQGKKPKYEHWLTYVK 2EJ2 Chain:A ((4-306)) ---------KAGLIWMNGAFVPQEEAKTSVLSHALHYGTSVFEGIRAYETAKGPAIFRLKEHVKRFYNSAKVLRMEIPFAPEELEEAIKEVVRRNGYRSCYIRPLAWMGAKALGVNPLPNNPAEVMVAAWEWG-----------ARLITSSWARFPANVMPGKAKVGGNYVNSALAKMEAVAAGADEALLLDEEGYVAEGSGENLFFVRDGVIYALEHSVN-LEGITRDSVIRIAKDLGYEVQVVRATRDQLYMADEVFMTGTAAEVTPVSMIDWRPIGKGTAGPVALRLREVYLEAVTGRRPEYEGWLTYVN

General information: TITO was launched using: RESULT: Template: 2EJ2.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 : 1648 -75221 -45.64 -258.49 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -45.64 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_2EJ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2EJ2-query.scw PDB file : Tito_Scwrl_2EJ2.pdb: