Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------MTMPQANIIPNDWWRWSDSQPVIIKPLLGGLTNLNYLISVNHE---------LFVLRKNSAISEALNLNRSAEAKALSRADEAGLCAPLIYYDDQHQYMVSRYLGDKTWSVS---IDHNLSLLAELLRGIHQLPG--IDADLNVENKISCYWQAIDAQAAFTR-------------ELISLDSAVGAHITSAKALNNGHVLCHNDLLASNLIISNKDKLYAIDWEYAAMSDPFYELAVIIEGNAL------------------NAKQQQSLLTRYLRQPIS----------ALDWQRLYHWQIIYGYLCVLWYAVQYS-NGAMPNIVSEIHRQILAIKALAAKDA----- 1NW1 Chain:A ((32-426)) GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAW-KTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESH--LVAESVIFTLLSERHLGPKLYGIFSG--GRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPKR--LVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGFG--FADYGRDRLSLYFKHKQLLKNLA

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 : 1174 -51814 -44.13 -185.05 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -44.13 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.358

(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: