Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESHLVRIINRLEAMANDGGNLKRNFEREGVVVAEVAYSHDEENGPIFTLRDVEDRETYTFDSIDLIAMEIYELLY 2MDG Chain:A ((1-55)) MGSHKC-------------NVCSRTFFS----ENGLREHLQTHRGPAKHYMCPICGERFPSLL----TLTEHKVTH

General information: TITO was launched using: RESULT: Template: 2MDG.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 : 108 -5958 -55.17 -108.33 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -55.17 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_2MDG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2MDG-query.scw PDB file : Tito_Scwrl_2MDG.pdb: