Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence WYHGNLTRHAAEALLLSNGCDGSYLLRDSNETTGLYSLSVRAKDSVKHFHVEYTGYSFKFGFNEFSSLKDFVKHF 2PLE Chain:A ((11-84)) WYHASLTRAQAEHMLMRVPRDGAFLVRKRNEPNS-YAISFRAEGKIKHCRVQQEGQTVMLGNSEFDSLVDLISYY

General information: TITO was launched using: RESULT: Template: 2PLE.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 : 261 -31781 -121.76 -429.47 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -121.76 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_2PLE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PLE-query.scw PDB file : Tito_Scwrl_2PLE.pdb: