Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSELSLAYIFHHQQLLVDQNLQLPKVEKLASDLLFTHDEQVIARDLLSEEAIPEGLQLVPIRQLISNWSKEQFLQASRAVQLLEWRRNHKFCSHCGHATEVHP----TEYAMVCPSCRYHQYPRVNPCIITIITKGDDEILLAKSIHN-KTNMYGLIAGFVEVGETLEEAVQREALEEVGLKLKNIQYMSSQPWPFPSNLMIAFRAEYESGEISLQEDEIADAQFFKFDQLPEIPFKGSIAHAMITQITQAK 3CNG Chain:C ((3-163)) ----------------------------------------------------------------------------------------MKFCSQCGGEVILRIPEGDTLPRYICPKCHTIHYQNPKVIVGCIPEW-ENKVLLCKRAIAPYRGKWTLPAGFMENNETLVQGAARETLEEANARVEIRELYAVYSLPHISQVYMLFRAKLLDLDFF-PGIESLEVRLFGEQEIPWNDIAFRVIHDPLKRYMEE-

General information: TITO was launched using: RESULT: Template: 3CNG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 712 7021 9.86 45.00 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.64 3D Compatibility (PKB) : 9.86 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_3CNG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CNG-query.scw PDB file : Tito_Scwrl_3CNG.pdb: