Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence YGDCFIGLYEKGGRNPNHIAGTEADESGTFEVLHENYKIRVKIFKCVKQHVYDSTPSGTEIRVIPSVGYDPNKRQTAPRPAPRPAPRPAPRRTQNAAGHR 2CCG Chain:A ((22-83)) ---------------SAFITFEGPEGSGKTTVINEVYHRLVKDYDVIMTREPGGVPTGEEIRKIVLEGNDMDIRTEA-----------------------

General information: TITO was launched using: RESULT: Template: 2CCG.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 : 80 -3218 -40.22 -51.90 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -40.22 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.135

(partial model without unconserved sides chains): PDB file : Tito_2CCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CCG-query.scw PDB file : Tito_Scwrl_2CCG.pdb: