Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKMKKIDILSRLKNAGVIAVVRGKSKEEALNACHAIIKGGLTGIELTFTVPQADQVIKELLSFYKDQPEIVIGAGTVLDAVTARLAILAGAEYIVSPSFDQETAEMCNLYQIPYLPGCMTITEIKTALKSGVDIVKLFPGSAYGPSIISAFKAPMPQVNIMPTGGVSLDNMKEWFDAGVVTVGVGGNLLAPAATGDFDKVTEVAQQYAAKMKEIKR 1WA3 Chain:E ((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 E - contact count / total energy / energy per contact / energy per residue : 1080 -175339 -162.35 -899.17 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain E : 0.82 3D Compatibility (PKB) : -162.35 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.714

(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: