Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQMVKEKPERAVIVPKQNHVLEVKDLSIYYGNKQAV---HHVNMDIEKNAVTALIGPSGCGKSTFLRNINRMNDLIPSARAEGEILYEGLNILGGNINVVSLRREIGMVFQKPNPFPKSIYANITHALKYAGERNKAVLDEI--VEESLTKAALWDEVKDRLHS----SALSLSGGQQQRLCIARTLAMKPAVLLLDEPASALDPISNAKIEELITGLKREYSIIIVTHNMQQALRVSDRTAFFLNGELVEYGQTEQIFTSPKKQKTEDYINGKFG 4AYW Chain:A ((373-598)) ----------------------LEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYD-----PASGTISLDGHDIR--QLNPVWLRSKIGTVSQEPILFSCSIAENIAYG---ADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDE----LDAENEYLVQEALDRLMDGRTVLVIAHHL-STIKNANMVAVLDQGKITEYGKHEE-------------------

General information: TITO was launched using: RESULT: Template: 4AYW.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 : 1034 30010 29.02 140.89 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 29.02 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_4AYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYW-query.scw PDB file : Tito_Scwrl_4AYW.pdb: