Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSERGLLIVLSGPSGVGKGTVRKAIFESED-NDFQYSISMTTRKMREGEVEGVDYFFRSKEEFESMIEAGEMLEYAEYVGNYYGTPLSYVNKTLDEGKDVFLEIEVQGAKQVKEKVPDGVFIFLTPPDLAELKSRIVGRGTDADEVIEERMKVAKEEIEMMALYDYAVVNDEVPLAVERIKNIIASEHFRVDRVIGKYIKMLKEM 2ANC Chain:A ((3-204)) ---QGTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRGRGQDSEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALISKL

General information: TITO was launched using: RESULT: Template: 2ANC.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 : 799 -21823 -27.31 -108.57 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -27.31 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_2ANC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ANC-query.scw PDB file : Tito_Scwrl_2ANC.pdb: