Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPTQNVPEDRIQIGQLRSAYGLNGWLWVYSNTEPMSNMFDYLPWYIETKAGWQIVDVKRWKPHGKGLVVALKGVSDRTGAESLVGANIWIAKSQLPKADVDEYYWSDLKGLTVLGLDDDEQEVNLGQIHELFETGANDVMVVRATPDSI-DSEERMIPWHKDVVQRVDLEAGRIYVNWGVDY 2DYI Chain:A ((1-160)) --------MRLVEIGRFGAPYALKGGLRFRGE---PVV-LHLERVYVEGH---GWRAIEDLYRVGEELVVHLAGVTDRTLAEALVGLRVYAEVADLPPLEEGRYYYFALIGLPVYVE-G----RQVGEVVDILDAGAQDVLIIRGVGERLRDRAERLVPLQAPY---VRVEEGSIHVDPIPGL

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 : 684 -85010 -124.28 -534.65 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -124.28 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.477

(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: