Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIESQAPMLEMLWEPHDPRHALAERFGFSDSESASRWVAAMLDEHWG-------IRIDSCERILMSGGNALAWVGTPSG---------RLLAKWSVVLDCFPRLMETARLTNWLHGRGLPVSVPVPTRDGCLQVEVDRVSMGLQREIVGDLLDTG---DLNQVRAAGVILAQLQDALAAYPDADQFLAPVVSSKPLTVRVTDWLDSRADHLP-----------MAARDTLRGLVASAPPDRLPRQLVHFDIRSANILWACGGVAAILDFEEAQHDHRIVELARAAVLLGTRYHNWGPVSADVRTEFLTGYQSERLLTPAEAGWLHIVLLWQALAMVPPGDDPTGWGPSALSQLSQETAR------------------------------------------------ 1NW1 Chain:A ((32-426)) ------GMKELL-------STMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHL-GPKLYGIFSG----------GRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQ--LEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPKRLV--LIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQ-------TENFPENDQMLEFFLNYLREQ-------GNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGFGFADYGRDRLSLYFKHKQLLKNLA

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 : 1197 -49268 -41.16 -171.67 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -41.16 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.280

(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: