Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNKLLEVKGLKQYFNVGKKNEVHAVNDISFHIYEGETFGLVGESGSGKSTTGRTIIRLNEPTDGEILFDGQDITKIKDKKGLTKFRHDVQMIFQDPYASLNPRMKVRDIIAEGIDVNGLAKSSEERAKKVDDLLRTVGLNPSHGTRYPHEFSGGQRQRIGIARALAVKPRFIICDEPISALDVSIQAQVVNLLQDLQKEHQLTYLFIAHDLSMVKHISDRIGVMHNGLLLEMGTSDEIYNHGVHPYTESLLSAIPLPDPDHERKRRRIKYQPEPDDGQVRQLR-EIAPEHFVYATEQEVPYYAKKLKRQKESLLVAN--------------------------------------------- 1OXS Chain:C ((1-352)) MVR--IIVKNVSKVFKKGK---VVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVAS-NGKLIVPPEDRKIGMVFQTW--ALYPNLTAFENIAFPLTNMK--MSKEEIRKRVEEVAKILDI-HHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVSIQVASLIGEINELEGKVTNEGVVIGSLRFPVSVSSDRAIIGIRPEDVKLSKDVIKDDSWILVGKGKVKVIGYQGGLFRITITPLDSEEEIFTYSDHPIHSGEEVLVYVRKDKIKVFEK

General information: TITO was launched using: RESULT: Template: 1OXS.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 : 1492 -141404 -94.77 -462.10 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.70 3D Compatibility (PKB) : -94.77 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_1OXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OXS-query.scw PDB file : Tito_Scwrl_1OXS.pdb: