Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQSTGAPSLFDDGQIGTGGNNNSQSQVKLQAINLIDLLHDGFYLIFLIRNQYVPADPQRFREKILDLLNRFEQQAKKLQFSADDIHDAKYAFCALIDETIVTQQDPSYFNLQNSWLISPLQLSLFGSQLAGYQFFEILEQLRSRGKDRLAALEVFHYCLLLGFQGKYRIESIESLNHLVARVGDEIDYLKGKKVAFSPFSAIPDQIRNIIHRELPFFWILIFLLIFALLTFAGLRFMLNNQNDKALSNYQNVISAPQEQAHITIYLP 4NM3 Chain:B ((5-23)) -------------------------------------------------------VEPQKFAEELIHRLEAVQR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NM3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 4 540 135.00 28.42 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain B : 0.50 3D Compatibility (PKB) : 135.00 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.645

(partial model without unconserved sides chains): PDB file : Tito_4NM3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NM3-query.scw PDB file : Tito_Scwrl_4NM3.pdb: