Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQKKSTQKRNQLLAAALDVFSLYGFSGASLDEIAQLADMHKSNIFYYYENKESLYVEVLTTVLQKWLAPLQTLEAELEPAEALSHYLIQKIELSRSQPKASRLFALEIIQGAPHILPILKGPLKKLFKRKAKVIQTWQEQGKISPDIDPELLILNIWGLTQNYADFATQMEMVTGKTLRNRSMFQRSIEHTVHMMLYGVLPR 4JYK Chain:B ((17-212)) ------SAKKKAILSAALDTFSQFGFHGTRLEQIAELAGVSKTNLLYYFPSKEALYIAVLRQILDIWLAPLKAFREDFAPLAAIKEYIRLKLEVSRDYPQASRLFCMEMLAGAPLLMDELTGDLKALIDEKSALIAGWVKSGKLAP-IDPQHLIFMIWASTQHYADFAPQVEAVTGATLRDEVFFNQTVENVQRIIIEGIRPR

General information: TITO was launched using: RESULT: Template: 4JYK.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 : 723 -117538 -162.57 -599.68 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -162.57 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.650

(partial model without unconserved sides chains): PDB file : Tito_4JYK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JYK-query.scw PDB file : Tito_Scwrl_4JYK.pdb: