Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLANIIDHTALKPHTQKADILKLIEEAKTYKFASVCVNPTWVELAAKELKGTGVDVCTVIGFPLGANTTETKAFETKDAISKGATEVDMVINIAALKDKEDDVVEADIRGVVEAVAGKALVKVIIET---CLLTDEEKE-RACRLAVSAGADFVKTSTGF-STGGATKEDIALMRKTVGPDIGVKASGGVRTKEDVDTMVEAGASRIGASAGVSIVKGENASGGDNY 3NG3 Chain:B ((12-225)) --LAAFVDHTLLKPEATAADVAALVTEAAELGVYAVCVSPPMVPAAVQ--A----RVASVAGFPSGKHVSAVKAHEAALAVASGAAEIDMVIDVGAALAGDLDGVRADIAAVRGAVGG-AVLKVIVESSALLALADEHTLVRVCRAAEDAGADFVKTSTGFHPSGGASVRAVALMAEAVGGRLGVKASGGIRTAADALAMLDAGATRLGLSGTRAVLDG---------

General information: TITO was launched using: RESULT: Template: 3NG3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1258 -78977 -62.78 -385.25 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -62.78 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_3NG3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NG3-query.scw PDB file : Tito_Scwrl_3NG3.pdb: