Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLSDINQMNMTTANTARLLITCEDKPGIVQAVSSFLYHQGANITALDQYATEAQGGRYFMRVEFELDHLQSRKDALIQTFAANVAERYGMQWRLAFVNDIKKVGILVSKVDHALLELLWRHARGSLPCEITHVISNHEDL-REAVENFGILFTVIKVTKDNKAEAYAQIHEMMQ--GNDLLVLARYMQILSEDFVSKWEMKIINIHHSFLPAFVGANPYKQAYEKGVKLIGATAHYVTADLDQGPIIEQDVERVSHDYNVEQLRELGEDVERNVLARAVKWHLEDRIIVDGNKTVVF 3NRB Chain:D ((5-285)) --------------NNQYVLSLACQDAPGIVSEVSTFLFNNGANIVEAEQFNDED-SSKFFMRVSVEIPV-A-GVNDFNSAFG-KVVEKYNAEWWFRPRTDRKKVVIMVSKFDHCLGDLLYRHRLGELDMEVVGIISNHPREALSVSLVGDIPFHYLPVTPATKAAQESQIKNIVTQSQADLIVLARYMQILSDDLSAFLSGRCINIHHSFLPGFKGAKPYHQAHTRGVKLIGATAHFVTADLDEGPIIAQDVEHVSHRDSAEDLVRKGRDIERRVLSRAVLLFLEDRLIVNGERTVVF

General information: TITO was launched using: RESULT: Template: 3NRB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1396 -103610 -74.22 -372.70 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : -74.22 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_3NRB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NRB-query.scw PDB file : Tito_Scwrl_3NRB.pdb: