Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSENEQFSQMEAKARARMKERGVEVSDIAELVFFLQKKYHPDLTIDECTLNVNRVLAKREVQNAILTGIELDVLAEQKKLSEPLQTM--------LEIDESLYGVDEVLAFSIVNIYGSIGFTNYGYIDKEKPGILKRLNDKSTGECHTFLDDIVGAISAAASSRLAHRARHTE 2BKU Chain:B ((540-649)) ----------------------------ASISTFVMDKLGQTMSVDENQLTLEDAQSLQELQSNILTVLAA-VIRKSPSSVEPVADMLMGLFFRLLEKKDSAFIEDDVF-YAISALAASLGKGFEKYLETFSPYLLKALN----------------------------------

General information: TITO was launched using: RESULT: Template: 2BKU.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 : 334 -28336 -84.84 -277.80 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -84.84 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.194

(partial model without unconserved sides chains): PDB file : Tito_2BKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BKU-query.scw PDB file : Tito_Scwrl_2BKU.pdb: