Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKMKKIDILSRLKNAGVIAVVRGKSKEEALNACHAIIKGGLTGIELTFTVPQADQVIKELLSFYKDQPEIVIGAGTVLDAVTARLAILAGAEYIVSPSFDQETAEMCNLYQIPYLPGCMTITEIKTALKSGVDIVKLFPGSAYGPSIISAFKAPMPQVNIMPTGGVSLDNMKEWFDAGVVTVGVGGNLLAPAATGDFDKVTEVAQQYAAKMKEIKR 1WA3 Chain:C ((7-201)) ------------FKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTVIKEL-SFLKEKGAI-IGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCKEKGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNVKFVPTGGVNLDNVCEWFKAGVLAVGVGSALV----KGTPDEVREKAKAFVEKIR----

General information: TITO was launched using: RESULT: Template: 1WA3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1091 -175431 -160.80 -899.65 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -160.80 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.713

(partial model without unconserved sides chains): PDB file : Tito_1WA3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WA3-query.scw PDB file : Tito_Scwrl_1WA3.pdb: