Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------DCFIGLYEKGGRNPNHIAGTEADESGTFEVLHENYKIRVKIFKCVKQHVYDSTPSG------TEIRVI- 2PK8 Chain:A ((10-103)) STRGDLIRILGEIEEKMNELKMDGFNPD-IILFGREAYNFLSNLLKKEMEEEGPFTHVS-NIKIEILEELGGDAVVIDSKVLGLVPGAAKRIKIIK

General information: TITO was launched using: RESULT: Template: 2PK8.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 : 113 -14204 -125.70 -236.73 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -125.70 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.272

(partial model without unconserved sides chains): PDB file : Tito_2PK8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2pk8-query.scw PDB file : Tito_Scwrl_2PK8.pdb: