Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNKLLEVKGLKQYFNVGKKNEVHAVNDISFHIYEGETFGLVGESGSGKSTTGRTIIRLNEPTDGEILFDGQDITKIKDKKGLTKFRHDVQMIFQDPY----------ASLNPRMKVRDIIAEGIDVNGLAKSSEERAKKVDDLLRTVGLNPSHGTRYPHEFSGGQRQRIGIARALAVKPRFIICDEPISALDVSIQAQVVNLLQDLQKEHQLTYLFIAHDLSMVKHISDRIGVMHNGLLLEMGTSDEIYNHGVHPYTESLLSAIPLPDPDHERKRRRIKYQPEPDDGQVRQLREIAPEHFVYATEQEVPYYAKKLKRQKESLLVAN 1XEF Chain:C ((19-224)) -------------------------LDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLA-LADPNWL---RRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELRE----------GYNTIVGEQGAG-LSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGR--TVIIIAARLSTVKN-ADRIIVMEKGKIVEQGKHKEL------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XEF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 894 -12877 -14.40 -65.70 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain C : 0.72 3D Compatibility (PKB) : -14.40 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_1XEF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XEF-query.scw PDB file : Tito_Scwrl_1XEF.pdb: