Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLKKRGIIEAPFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 2XQO Chain:A ((58-101)) -----VKAIIKKQVDEHWDVIRD------------VCG----FKNKEVAYAFFFGMATRESTFRA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XQO.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 : 83 -24562 -295.92 -558.22 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -295.92 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_2XQO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XQO-query.scw PDB file : Tito_Scwrl_2XQO.pdb: