Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAYTVEQGIVAPLDRANVDTDLIIPKQFLKSIKRTGFGDNLFDELRYLDEGYPGQDNSVRPKNPDFVLNQPRYQGATVLIARTNFGCGSSREHAPWALNEYGFRTVIAPSFADIFFNNCFKNGMLPVILPEDIVDQLFKECAAQEGYQLTIDLAAQEVRT-PTGEAFKFEVDPFRKHCLLNGLDDIGLTLQNADAIRAYEEKTKQVRPWVFQEIN 3VBA Chain:A ((15-144)) -----------------NVDTDAILPARYLVYTKP--------EELAQF---------VMTGADPDF---PKKVKPGDIIVGGKNFGCGSSREHAPLGLKGAGISCVIAESFARIFYRNAINVG-LPLIECKGISEKV------NEGDELEVNLETGEIKNLTTGEVLKGQKLP------------------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 645 -74935 -116.18 -580.89 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -116.18 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.436

(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: