Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDEIWFAGIDLGGTTIKLAFINQYGEIQHKWEVPTDKTGDTITVTIAKTIDSKLDELQKPKHIIKYIGMGAPGPVDMAAGVVYETVNLGWKNYALKNHLETETGIPAVIENDANIAALGEMWKGAGDGAKDVILVTLGTGVGGGIIANGEIVHGINGAGGEIGHICSIPEGGAPCNCGKTGCIETIASATGIVRIAKEKIANAKKTTRL-------KATEQLSARDVFEAAGENDEIALEVVDYVAKHLGLVLGNLASSLNPSKIVLGGGVSRAGELLRSKVEKTFRKCAFPRAAQA-ADISIAALGNDAGVIGGAWIAKNEWLKHQNC 3VGK Chain:G ((6-312)) -------GVDIGGTKIAAGVVDEEGRILSTFKVATPPTAEGIVDAICAAVAGASE-----GHDVEAVGIGAAGYVDDKRATVLFAPNIDWRHEPLKDKVEQRVGLPVVVENDANAAAWGEYRFGAGQGHDDVICITLGTGLGGGIIIGNKLRRGRFGVAAEFGHIRVVPDG-LLCGCGSQGCWEQYASGRALVRYAKQR-ANATPENAAVLLGLGDGSVDGIEGKHISEAARQGDPVAVDSFRELARWAGAGLADLASLFDPSAFIVGGGVSDEGELVLDPIRKSFRRWLIGGEWRPHAQVLAAQLGGKAGLVGAADLARQ--------

General information: TITO was launched using: RESULT: Template: 3VGK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1721 -82825 -48.13 -277.01 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain G : 0.80 3D Compatibility (PKB) : -48.13 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_3VGK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VGK-query.scw PDB file : Tito_Scwrl_3VGK.pdb: