Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence WFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYH 2AOA Chain:B ((14-81)) --------AKAEEMLSKQRHDGAFLIRE-----GDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYH

General information: TITO was launched using: RESULT: Template: 2AOA.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 : 151 -17383 -115.12 -275.92 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -115.12 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.633

(partial model without unconserved sides chains): PDB file : Tito_2AOA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AOA-query.scw PDB file : Tito_Scwrl_2AOA.pdb: