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

General information: TITO was launched using: RESULT: Template: 5IQH.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 : 733 -12999 -17.73 -64.99 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -17.73 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_5IQH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqh-query.scw PDB file : Tito_Scwrl_5IQH.pdb: