Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVQLLENWLLKEQEKIQTKYRHLNHISVVEPNILFIGDSIVEYYPLQELFG---TSKTIVNRGIRGYQTGLLLENLDAH-LYGGAVDKIFLLIGTNDIGKDVPVNEALNNLEAIIQSVARDYPLTEIKLLSILPVNEREEYQQAVYIRSNEKIQNWNQAYQE-LASAYMQVEFVPVFDCLTDQAGQLKKEYTTDGLHLSIAGYQALSKSLKDYLY 1ES9 Chain:A ((36-212)) ----------------------------DKEPEVVFIGDSLVQLMHQCEIWRELFSPLHALNFGIGGDSTQHVLWRLENGELEHIRPKIVVVWVGTNNHGH--TAEQVTGGIKAIVQLVNERQPQARVVVLGLLPRGQHPN-------PLREKNRRVNELVRAALAGH-PRAHFLDADPGFVHSDGTISHHDMYDYLHLSRLGYTPVCRALHSLL-

General information: TITO was launched using: RESULT: Template: 1ES9.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 : 827 -31976 -38.66 -185.90 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -38.66 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.573

(partial model without unconserved sides chains): PDB file : Tito_1ES9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ES9-query.scw PDB file : Tito_Scwrl_1ES9.pdb: