Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRKPFIAGNWKMNKNPEEAKAFVEAVASKLPSSDLVEAGIAAPALDLTTVLAVAKGSNLKVAAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMACPDVDGALVGGASLEAESFLALLDFVK 2Y61 Chain:A ((6-248)) ---QPIAAANWKCNGTTASIEKLVQVFNEHTISHD-VQCVVAPTFVHIPLVQAKLRNPKYVISAQNA-IAKSGAFTGEVSMPILKDIGVHWVILGHSERRTYYGETDEIVAQKVSEACKQGFMVIACIGETLQQREANQTAKVVLSQTSAIAAKLTKDAWNQVVLAYEPVWAIGTGKVATPEQAQEVHLLLRKWVSENIGTDVAAKLRILYGGSVNAANAATLYAKPDINGFLVGGASLKPE-FRDIID---

General information: TITO was launched using: RESULT: Template: 2Y61.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 : 1338 -147423 -110.18 -606.68 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -110.18 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_2Y61.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y61-query.scw PDB file : Tito_Scwrl_2Y61.pdb: