Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAYTVEQGIVAPLDRANVDTDLIIPKQFLKSIKRTGFGDNLFDELRYLDEGYPGQDNSVRPKNPDFVLNQPRYQGATVLIARTNFGCGSSREHAPWALNEYGFRTVIAPSFADIFFNNCFKNGMLPVILPEDIVDQLFKECAAQEGYQLTIDLAAQEVRT-PTGEAFKF-EVDPFRKHCLLNGLDDIGLTLQNADAIRAYEEKTKQVRPWVFQEIN 3VBA Chain:E ((3-155)) ----SIIKGRVWKF-GNNVDTDAILPARYLVYTKPEELAQFVMTGAD-----------------PDFPKK---VKPGDIIVGGKNFGCGSSREHAPLGLKGAGISCVIAESFARIFYRNAINVGLPLIECKGI-S----EKVN--EGDELEVNLETGEIKNLTTGEVLKGQKLPEFMMEILEAGG--------------------------------

General information: TITO was launched using: RESULT: Template: 3VBA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 823 -85391 -103.76 -565.50 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain E : 0.72 3D Compatibility (PKB) : -103.76 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_3VBA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VBA-query.scw PDB file : Tito_Scwrl_3VBA.pdb: