Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSLDNSDKYLLPLLPKIILEKTNKKAEKIKFIGGGSFGRVYKAELSNGETI---AIKAYRIQGSQYEEANQLNLLSKN--TSVKTPKVIFTYEDENTAILAMTFVEGKNVLNPLFLFKSKKQKQLFANDVVDGMLQWHSVTGEKFGALSNPTYD---SWYEYYKTVNQELWLKDLAKLAKNGKFSKKRMQLLYDATEIFNKLPEETTAPVLIHSDLNIMNIMADPKTLKLTAFIDPCTSIWADREYDLFQLRNMWGDAYGLYETYKKKYKLSKYADFRVAYYGAMLEASMRLKGGLILPFWEDLTMMRLKKEIKMLNNL 5IQC Chain:A ((25-235)) -----------------------NFKVDSIEIIGSGYDSVAY---LVNNEYIFKTKFSTNKKKGYAKEKA-IYNFLNTNLETNVKIPNIEYSYISDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMH---GLDYTDISECTIDNKQNVLEEYILLRETIY-NDLTDIEKD--YIESFMERL-NATTVF------EGKKCLCHNDFSCNHLLLDGNN-RLTGIIDFGDSGIIDEYCDFIYL--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IQC.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 : 747 -11886 -15.91 -58.55 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -15.91 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_5IQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqc-query.scw PDB file : Tito_Scwrl_5IQC.pdb: