Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence WFHGTLSRVKAAQLVLAGGPRNHGLFVIRQSETRPGEYVLTFNFQGKAKASHLRLSLNGHGQCHVQHLWFQSVLDMLRHF 2HDX Chain:C ((11-88)) WFHGMLSRLKAAQLVLEGGTGSHGVFLVRQSETRRGECVLTFNFQGKAK--HLRLSLNAAGQCRVQHLHFQSIFDMLEHF

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 C - contact count / total energy / energy per contact / energy per residue : 284 -51304 -180.65 -657.74 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.93 3D Compatibility (PKB) : -180.65 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.644

(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: