Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPTQNVPEDRIQIGQLRSAYGLNGWLWVYSNTEPMSNMFDYLPWYIETKAGWQIV-DVKRWKPHGKGLVVALKGVSDRTGAESLVGANIWIAKSQLPKADVDEYYWSDLKGLTVLGLDDDEQEVNLGQIHELFETGANDVMVVRATPDSI-DSEERMIPWHKDVVQRVDLEAGRIYVNWGVDY 3A1P Chain:A ((4-155)) -----------VEIGRFGAPYALKGGLRF--RGEPVVLHLERV--YVEGH-GWRAIEDLYRV---GEELVVHLAGVTDRTLAEALVGLRVYAEVADLPPLEEGRYYYFALIGLPVY-----VEGRQVGEVVDILDAGAQDVLIIRGVGERLRDRAERLVPLQAPYVR---VEEGSIHVD-----

General information: TITO was launched using: RESULT: Template: 3A1P.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 : 618 -52221 -84.50 -348.14 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -84.50 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_3A1P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A1P-query.scw PDB file : Tito_Scwrl_3A1P.pdb: