Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence WYHGRMSR-RAAERMLRAD----GDFLVRDSVTNPGQYVLTGMHAGQPKHL-LLVDPEGVVRTKDVLFESISHLIDHH 2HDX Chain:D ((11-90)) WFHGMLSRLKAAQLVLEGGTGSHGVFLVRQSETRRGECVLTFNFQGKAKHLRLSLNAAGQCRVQHLHFQSIFDMLEH-

General information: TITO was launched using: RESULT: Template: 2HDX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 243 3081 12.68 43.39 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : 12.68 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.853

(partial model without unconserved sides chains): PDB file : Tito_2HDX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HDX-query.scw PDB file : Tito_Scwrl_2HDX.pdb: