Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPTQNVPEDRIQIGQLRSAYGLNGWLWVYSNTEPMSNMFDYLPWYIETKAGWQIV-DVKRWKPHGKGLVVALKGVSDRTGAESLVGANIWIAKSQLPKADVDEYYWSDLKGLTVLGLDDDEQEVNLGQIHELFETGANDVMVVRATPDSI-DSEERMIPWHKDVVQRVDLEAGRIYVNWGVDY 2DYI Chain:A ((4-155)) -----------VEIGRFGAPYALKGGLRF--RGEPVVLHLERV--YVEGH-GWRAIEDLYRV---GEELVVHLAGVTDRTLAEALVGLRVYAEVADLPPLEEGRYYYFALIGLPVY-----VEGRQVGEVVDILDAGAQDVLIIRGVGERLRDRAERLVPLQAPYVR---VEEGSIHVD-----

General information: TITO was launched using: RESULT: Template: 2DYI.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 : 628 -54238 -86.37 -361.58 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -86.37 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_2DYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DYI-query.scw PDB file : Tito_Scwrl_2DYI.pdb: