Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLKKRGIIEAPFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 1BIF Chain:? ((38-250)) ------CPTLIVMVGLPAR-------------GKTYISKKLTRYLNFIGVPTREFNVGQYRRDMV------KTYKSFEFFLPDNEEGLKIRKQCALAALNDVRKFLSEEGGHVAVFDAT-----NTTRERRAMIFNFGEQNG----------------------YKTFFVESICVDPEVIAANIVQVKLGSP-----DYVNRDSDEATEDFMRRIECYEN-------------------------------SYESLDEEQDRDLSYIKIMDVGQSYVVNRVADHIQSRIVYYLMNIHVTPR

General information: TITO was launched using: RESULT: Template: 1BIF.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 : 985 -103929 -105.51 -487.93 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -105.51 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_1BIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BIF-query.scw PDB file : Tito_Scwrl_1BIF.pdb: