Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------MKKSSILFIFILLLCIGLQYETIY-YTDGSRSGAEYGLMGVSIFLALFY--MIPALYFLFRIGKKWELPKKV-------LILSLLGGM-FLSGWLSSFANTYIHDLLGVLFPDSPFLNAFESAIVAPLVEEPLKLLPLVFVLA-----------LIPVRKLKFLFLLGI---ASGLGFQMIEDIG------YIRTDLPEGFDFTISRILERIISGIASHWTFSGLAVVGVYLL---------YRAYKGQ-------KVGKKQGLIV----------------------- 5KNK Chain:B ((10-333)) PDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVNTLKITRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWAVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTDESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTMHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPALDNIYNIDPTEALKIVDRLKAEALKTSTQPEPIQTSVM

General information: TITO was launched using: RESULT: Template: 5KNK.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 : 595 -26330 -44.25 -120.23 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -44.25 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.140

(partial model without unconserved sides chains): PDB file : Tito_5KNK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KNK-query.scw PDB file : Tito_Scwrl_5KNK.pdb: