Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDTDLQILSHLQRNGRLTMVELGKLVGLSSPSAAERVRKLEDKGVITGYSANICYEKLNKHVTAFILMEPKSCKH--YAAFATSHPDVAENHRITGMYSYVTKVVTESVHTLEDFIDTSMAHGKPTTLVVLSSSSCHPAF 2CYY Chain:A ((5-122)) LDEIDKKIIKILQNDGKAPLREISKITGLAESTIHERIRKLRESGVIKKFTAIIDPEALGYSMLAFILVKVKAGKYSEVASNLAKYPEIVEVYETTGDYDMVVKIRTKNSEELNNFLD-----------------------

General information: TITO was launched using: RESULT: Template: 2CYY.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 : 332 -57299 -172.59 -493.96 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -172.59 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_2CYY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CYY-query.scw PDB file : Tito_Scwrl_2CYY.pdb: