Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDITLAPVQPDQPTHLMATYGRQAISFVRGRGAYLYTQDGTEYLDALTGIAVCGLGHTHPTIAEAIAEQAATLVHTSNLFEIPWQTAAAQKLAEVSGMEEIFFSNSGAESNEGAIKIARKFGTQQGISLPKIIVAEQSFHGRTLATLSATGNKKVQDGFAPLVEGFIRVPFGDIEAIQEAALQHPDIVAILIEPIQGEGGINTAPQGFSYLEEVRQICNQHNWLMMLDEIQTGNGRTGKYFAYQHTNIIPDVLTTAKGLGNGFPVGA-VMTQGKAVGLLGPGSHGSTYGGTVLGSRVVYTVIDTIQKENAVENAAVVGNYI---VDQLRAQLSDKNVQVRGFGMMIGIQLPKDCAELVAIARDEYKLIINVTAG-SVVRLLPPINMTQAQADILLECLVALITNYL 3NX3 Chain:A ((8-395)) -------------QSHIIPTYKRFDIVLEKGQGVYLFDDKAKKYLDFSSGIGVCALGYNHAKFNAKIKAQVDKLLHTSNLYYNENIAAAAKNLAKASALERVFFTNSGTESIEGAMKTARKYAFNKGVKGGQFIAFKHSFHGRTLGALSLTANEKYQKPFKPLISGVKFAKYNDISSVEK--LVNEKTCAIILESVQGEGGINPANKDF--YKALRKLCDEKDILLIADEIQCGMGRSGKFFAYEHAQILPDIMTSAKALGCGLSVGAFVINQKVASNSLEAGDHGSTYGGNPLVCAGVNAVFEIFKEEKILENVNKLTPYLEQSLDELINEF-DFCKKRKGLGFMQGLSLDKSVKVAKVIQKCQENALLLISCGENDLRFLPPLILQKEHIDEMSEKLRKALKSF-

General information: TITO was launched using: RESULT: Template: 3NX3.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 : 2210 -146673 -66.37 -382.96 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -66.37 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3NX3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NX3-query.scw PDB file : Tito_Scwrl_3NX3.pdb: