Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLSDINQMNMTTANTARLLITCEDKPGIVQAVSSFLYHQGANITALDQYATEAQGGRYFMRVEFELDHLQSRKDALIQTFAANVAERYGMQWRLAFVNDIKKVGILVSKVDHALLELLWRHARGSLPCEITHVISNHEDLREAVENFG-ILFTVIKVTKDNKAEAYAQIHEMMQGN--DLLVLARYMQILSEDFVSKWEMKIINIHHSFLPAFVGANPYKQAYEKGVKLIGATAHYVTADLDQGPIIEQDVERVSHDYNVEQLRELGEDVERNVLARAVKWHLEDRIIVDGNKTVVF 3NRB Chain:A ((10-285)) -------------------LSLACQDAPGIVSEVSTFLFNNGANIVEAEQFNDE-DSSKFFMRVSVEIP----VND--FNSAFGKVVEKYNAEWWFRPRTDRKKVVIMVSKFDHCLGDLLYRHRLGELDMEVVGIISNHPREALSVSLVGDIPFHYLPVTPATKAAQESQIKNIVTQSQADLIVLARYMQILSDDLSAFLSGRCINIHHSFLPGFKGAKPYHQAHTRGVKLIGATAHFVTADLDEGPIIAQDVEHVSHRDSAEDLVRKGRDIERRVLSRAVLLFLEDRLIVNGERTVVF

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 A - contact count / total energy / energy per contact / energy per residue : 1316 -114682 -87.14 -424.75 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -87.14 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.529

(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: