Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNILKNWKNQQTAASNLERYTKEDILKGEIPEHIAIIMDGNGRWAKKRSLPRIAGHHEGMKVVKRTTKLANELGVKVLTLYAFSTENWKRPKMEVDFLMKLPEEFLNTYLPELVEENVQVRIIGDETALPAHTLRAIEKAVQDTAQNDGMILNFALNYGGRTEIVSAAKSLAEKVKEGSLNIEDIDESLFSTYLMTESLQDPELLIRTSGEIRLSNFMLWQVAYSEFVFTDVLWPDFKEDHFLQALGEFQQRGRRFGGI 2VG3 Chain:D ((50-282)) -------------------------IPADRLPNHVAIVMDGNGRWATQRGLARTEGHKMGEAVVIDIACGAIELGIKWLSLYAFSTENWKRSPEEVRFLMGFNRDVVRRRRDTLKKLGVRIRWVGSRPRLWRSVINELAVAEEMTKSNDVITINYCVNYGGRTEITEATREIAREVAAGRLNPERITESTIARHLQRPDIPDVDLFLRTSGEQRSSNFMLWQAAYAEYIFQDKLWPDYDRRDLWAACEEYASRTRRFG--

General information: TITO was launched using: RESULT: Template: 2VG3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1128 -140109 -124.21 -601.33 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : -124.21 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.630

(partial model without unconserved sides chains): PDB file : Tito_2VG3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VG3-query.scw PDB file : Tito_Scwrl_2VG3.pdb: