Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNKLLEVKGLKQYFNVGKKNEVHAVNDISFHIYEGETFGLVGESGSGKSTTGRTIIRLNEPTDGEILFDGQDITKIKDKKGLTKFRHDVQMIFQDPY----------ASLNPRMKVRDIIAEGIDVNGLAKSSEERAKKVDDLLRTVGLNPSHGTRYPHEFSGGQRQRIGIARALAVKPRFIICDEPISALDVSIQAQVVNLLQDLQKEHQLTYLFIAHDLSMVKHISDRIGVMHNGLLLEMGTSDEIYNHGVHPYTESLLSAIPLPDPDHERKRRRIKYQPEPDDGQVRQLREIAPEHFVYATEQEVPYYAKKLKRQKESLLVAN 1XEF Chain:D ((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 D - contact count / total energy / energy per contact / energy per residue : 909 -9440 -10.38 -48.16 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain D : 0.72 3D Compatibility (PKB) : -10.38 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.473

(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: