Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSERGLLIVLSGPSGVGKGTVRKAIFESED-NDFQYSISMTTRKMREGEVEGVDYFFRSKEEFESMIEAGEMLEYAEYVGNYYGTPLSYVNKTLDEGKDVFLEIEVQGAKQVKEKVPDGVFIFLTPPDLAELKSRIVGRGTDADEVIEERMKVAKEEIEMMALYDYAVVNDEVPLAVERIKNIIASEHFRVDRVIGKYIKMLKEM 2F3T Chain:E ((3-204)) ---QGTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRGRGQDSEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALISKL

General information: TITO was launched using: RESULT: Template: 2F3T.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 831 -21960 -26.43 -109.25 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain E : 0.80 3D Compatibility (PKB) : -26.43 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_2F3T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2F3T-query.scw PDB file : Tito_Scwrl_2F3T.pdb: