Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGENMFKKEKVTEYIWTILIPTIITFIISWVGSYYNGTSTVSIGQPTKVSGQYITPINISPYHDIKELRITFPQKLDVKQISSNEPINVKSDKNNIGVESNSTFEIAKIVENNSVQLLITTQKKLNDKEIRIDKNGNNISVNYESQIVNPAKKQLINLIITSSIYFIMLNILALIMNKRWDKYYAKMKNEIKEFEDNAKDLDKKSKKKSEELSELRKTLNQAFEETDRIKYHEKKKQILLLAKLNDYKKELTFWRNTIRKVLYELPDGDKKADKLIGTVTSSLKTYGTVEKNEHDYESLKVAAALLNDSDKRS 3U2D Chain:A ((53-171)) ----------------------------------------------------------------------------------------------------------------NQIEVVIE-----KDNWIKVTDNGRGIPVDIQEKMGRPA----VEVILTSSVVNALSQDLEVYVHRNETIYHQAYKKGVPQF-----DLKEVGTTDKTGTVIRFKADGEIFTETTVYNYETLQQRIRELAFLN--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3U2D.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 : 461 -15482 -33.58 -130.10 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -33.58 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.094

(partial model without unconserved sides chains): PDB file : Tito_3U2D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U2D-query.scw PDB file : Tito_Scwrl_3U2D.pdb: