Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRNEMMHRPVVKEELLDFMRTQQKKLPGELGKLEEEAHVAEVPVIPHETVVFLKFLLGQLQPERILEIGAAIGFSSSVMATTIGENAHVTTIDRFDVMIEKAKKNYERLGLTDKVTLLEGQAADILPELS--GPYDFIFMDSAKSKYIEFLPECLRLLRKGGVLMVDDIFQGGTIL--LPDEEIPRGKRAIHRKLNEFLRVVMDHPDLTSTILPLGDGVILMTKESETIEL 4PCL Chain:A ((56-224)) ----------------------------------------------------LQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLNWAKMYIRKGGLIVADNTFLFGSVFDEHPTEKVSSNAHASMRAFNDELA---NKEKYLSTIIPTSEGMMVSIK-------

General information: TITO was launched using: RESULT: Template: 4PCL.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 : 815 -53690 -65.88 -325.39 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -65.88 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_4PCL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PCL-query.scw PDB file : Tito_Scwrl_4PCL.pdb: