Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence QDLRRPLLCD-------VYIEYPSGQVFDQALG-------------HDIVPAGETA-----EISGFKCKTVRGTCV 2JUB Chain:A ((1-76)) ATLTSEVIKANKGREGKPMISLVDGEEIKGTVYLGDGWSAKKDGATIVISPAEETALFKAKHISAAHLKIIAKNLL

General information: TITO was launched using: RESULT: Template: 2JUB.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 : 131 3009 22.97 58.99 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 22.97 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_2JUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2jub-query.scw PDB file : Tito_Scwrl_2JUB.pdb: