Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------MLLSPDERKWLSELC-------HLKIISVQKVAHAITNRVFVLHCIDN--------KKFIFKRLNVQARTATQRACEYQLQQLLSKLNLTPKVIAIKGSYKLQAFIAGETPKEV---NTDSLTLLATQLSIIHQIPTKIAP-LQCLASELKDLKKHSDRYVD------------------EKEHAFYRQLATDLDHSSAKDTLCHGDLSLLNIVKTASGEVQILDWEYAVLACSAYDLASCCCINQL------------------NEADENYLLDHYYDLYAEHLVID----KEKLKKEYVQYLSLFRYINKLWTDHFDKGSNSEI------------------------ 1NW1 Chain:A ((32-426)) GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYF-NPETESHLVAESVIFTLLSERHLGPKLYGIFSGGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLP--KRLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGFGFADYGRDRLSLYFKHKQLLKNLA

General information: TITO was launched using: RESULT: Template: 1NW1.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 : 1108 -32714 -29.52 -123.91 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -29.52 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_1NW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nw1-query.scw PDB file : Tito_Scwrl_1NW1.pdb: