Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLFQTYGRWDIDIKKAKGTYVEDQNGKTYLDFIQGIAVSNLGHCHEAVTEAVKKQLDSVWHVSNLFQNSLQEQAAQKLAAHSAGDLVFFCNSGAEANEGAIKLARKATGKT-----KIITFLQSFHGRTYAGMAATGQDKIKTGFGPMLGGFHYLPYNDPSAFKALGEEGDIAAVMLETVQGEGGVNPASAEFLSAVQSFCKEKQALLIIDEIQTGIGRTGKGFAYEHFGLSPDIITVAKGLGNGFPVGA-VIGKKQLGEAFTPGSHGTTFGGNMLAMAAVNATLQIVFQPDFLQEAADKGAFLKEQLEAELKS-PFVKQIRGKGLMLGIECDGP--VADIIAELQTLGLLVLPAGPNVIRLLPPLTVTKDEIAEAVSKLKQAIAHHSAVNQ 3NX3 Chain:A ((9-392)) -SHIIPTYKRFDIVLEKGQGVYLFDDKAKKYLDFSSGIGVCALGYNHAKFNAKIKAQVDKLLHTSNLYYNENIAAAAKNLAKASALERVFFTNSGTESIEGAMKTARKYAFNKGVKGGQFIAFKHSFHGRTLGALSLTANEKYQKPFKPLISGVKFAKYNDISSVEKLVNE-KTCAIILESVQGEGGINPANKDFYKALRKLCDEKDILLIADEIQCGMGRSGKFFAYEHAQILPDIMTSAKALGCGLSVGAFVINQKVASNSLEAGDHGSTYGGNPLVCAGVNAVFEIFKEEKILENVNKLTPYLEQSLDELINEFDFCKKRKGLGFMQGLSLDKSVKVAKVIQKCQENALLLISCGENDLRFLPPLILQKEHIDEMSEKLRKAL--------

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 : 2151 -223381 -103.85 -595.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -103.85 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.527

(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: