Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRDIIKLDQIDVTFHQKKRTITAVKDVTIHIQEGDIYGIVGYSGAGKSTLVRVINLLQKPSAGKITIDDDVIFDGKVTLTAEQLRRKRQDIGMIFQHFNLMSQKTAEENVAFALKHSGLSKEEKKAKVAKLLDLVGLADRAENYPSQLSGGQKQRVAIARALANDPKILISDESTSALDPKTTKQILALLQDLNQKLGLTVVLITHEMQIVKDIANRVAVMQDGHLIEEGSVLEIFSNPKQPLTQDFISTATGIDEAM----VKIEKQEIVEHLSENSLLVQLKYAGASTDEPLLN----ELYKHYQVMANILYGNIEILDGTPVG-ELVVVLSGEKAALAGAQEAIRQAGVQLKVLKGVQ 1OXS Chain:C ((1-352)) MVR--IIVKNVSKVF--KKGKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPEDR----KIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVSIQVASLIGEINELEGKVTNEGVVIGSLRFPVSVSSDRAIIGIRPEDVKLSKDVIKDDSWILVGKGKVKVIGYQGGLFRITITPLDSEEEIFTYSDHPIHSGEEVLVYVRKDKIKVFEK--

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 : 1802 -154278 -85.61 -449.79 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -85.61 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.362

(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: