Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHTHDVTVMGDVVRKRYVSWD-DREPEREWAGLVHLSRESPGLAPTPVAREVEDGRPVVVMSLVPGEPLTSA--LSAAQSKAFAEVLRRLFAVPVPEDLAERANGPQVMRDHVREWLSEDYDLTQ----CQDQAL------VRTAKDRAVAWLAVVQLPDLVDRVVAQGDGNLDNVLWDGEVCRLIDWEEYGASDLTYEIADVVEHASSR---------------LTRSLDVDALLADLDL-DP------------TQRERLAVHRLLLACFWLMMLLPGNGGFKRNPAGSTEDQARHVLALLDQS 1NW1 Chain:A ((105-395)) --------PNKVLLRVYFNPETESHLVAESVIFTLLSE-RHLG-PKLYGIF----SGGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPI-WKE-P---DYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK-RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQV-------------------------

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 : 824 -17643 -21.41 -80.19 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -21.41 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.281

(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: