Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIIELEKINYKYQPDDLRPALKDVSFTIDKGEWIAIIGHNGSGKSTLAKTINGLLLPESG--IVKVGNQILDEENIWTIRQMVGMVFQNPDNQFVGSTVEDDVAFG-LENQGIPREEMLVRVKDALEKVRMAEFASREPARLSGGQKQRVAIAGVVALRPDIIILDEATSMLDPEGREEVISTIKKIKEESQLTVISITHDIDEAAN-ANRILVMRQGELVREGTPKEIFSAGPELIDLGLDLPFPEKLKSALKERGVDVPSEYMTEERMVDWLWTSVLNK 3C4J Chain:A ((40-247)) ----------------------LKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQR-FNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEG-MTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLF---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C4J.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 : 1012 -23324 -23.05 -114.33 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -23.05 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_3C4J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C4J-query.scw PDB file : Tito_Scwrl_3C4J.pdb: