Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQKKSTQKRNQLLAAALDVFSLYGFSGASLDEIAQLADMHKSNIFYYYENKESLYVEVLTTVLQKWLAPLQTLEAELEPAEALSHYLIQKIELSRSQPKASRLFALEIIQGAPHILPILKGPLKKLFKRKAKVIQTWQEQGKISPDIDPELLILNIWGLTQNYADFATQMEMVTGKTLRNRSMFQRSIEHTVHMMLYGVLPR 4XK4 Chain:A ((17-212)) ------SAKKKAILSAALDTFSQFGFHGTRLEQIAELAGVSKTNLLYYFPSKEALYIAVLRQILDIWLAPLKAFREDFAPLAAIKEYIRLKLEVSRDYPQASRLFCMEMLAGAPLLMDELTGDLKALIDEKSALIAGWVKSGKLAP-IDPQHLIFMIWASTQHYADFAPQVEAVTGATLRDEVFFNQTVENVQRIIIEGIRPR

General information: TITO was launched using: RESULT: Template: 4XK4.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 : 731 -120651 -165.05 -615.57 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -165.05 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.628

(partial model without unconserved sides chains): PDB file : Tito_4XK4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XK4-query.scw PDB file : Tito_Scwrl_4XK4.pdb: