Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKAHKNIWNKEKKTMNPLIEELTKEQLRSDIPAFRPGDTVRVHAKVVEGTRERIQLFEGVVIKRRGAGISETYTVRKVSNGVGVERTFPLHTPRVAKIEVVRYGKVRRAKLYYLRALHGKAARIKEIRR 5GAG Chain:Q ((2-112)) ----------------SNIIKQLEQEQMKQDVPSFRPGDTVEVKVWVVEGSKKRLQAFEGVVIAIRNRGLHSAFTVRKISNGEGVERVFQTHSPVVDSISVKRRGAVRKAKLYYLRERTGKAARIKE---

General information: TITO was launched using: RESULT: Template: 5GAG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Q - contact count / total energy / energy per contact / energy per residue : 408 -31101 -76.23 -280.19 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain Q : 0.82 3D Compatibility (PKB) : -76.23 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_5GAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GAG-query.scw PDB file : Tito_Scwrl_5GAG.pdb: