Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLRKRGIIEAPFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 1BIF Chain:? ((38-250)) ------CPTLIVMVGLPAR-------------GKTYISKKLTRYLNFIGVPTREFNVGQYRRDMV------KTYKSFEFFLPDNEEGLKIRKQCALAALNDVRKFLSEEGGHVAVFDAT-----NTTRERRAMIFNFGEQNG----------------------YKTFFVESICVDPEVIAANIVQVKLGSPDYVNRD-------------------------SDEATEDFMRRIECYENSYESL-----------DEEQDRDLSYIKIMDVGQSYVVNRVADHIQSRIVYYLMNIHVTPR

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 -111320 -113.02 -522.63 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -113.02 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.181

(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: