Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVYIGNGHYCYSNSTAMFLSSIGENVSPQLVEILTGVGLGAMIEYEKNLYFSMRDPDDGINYALNILGFTAEEHQQASDLDDPFPLLKQQIKQNPVILGPLDMGE---LTYHP-NHK----NLNGSDHYVLGYQMDNE----NIYVQDPAGFPFVPLSLDQFKKAWMAERIPYRKGINKYWSTAKKVVTLDNNEIYERAIDYFKRTYRKFEKVDIGLIGREAICFYADQLLNAPITADTIRHTTFFLFQLSARRANDYAMYFKDRHSHLSVLKTEQAKVFGICHSMSVNKDWKGISEKLMKLADLEDNFRLELLKVGY 4X6H Chain:A ((117-185)) -----------------------------------------------------------------------------------NEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWG-----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4X6H.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 : 124 -7084 -57.13 -124.28 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -57.13 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.338

(partial model without unconserved sides chains): PDB file : Tito_4X6H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X6H-query.scw PDB file : Tito_Scwrl_4X6H.pdb: