Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPFFGFTPSEGLLNDIQTGIANKNSSEPLYPLRDKIALQLNEEIIENVLTQLVQHFPA-SEKRDTAEKLAGYVKSTVAVLLKQLLSKAPNDVVKQSVEFSEKSLFKDPQGQYKVGVALDAGLVTNLKHNFAELQAGNDINKAALAELYKQFGDAMVRHFMSDFNKTLDLGMIKRKAADIGAAAVTKAVHIAIDKLIPSLNRTELKAMAEYHDGLFFN 2GRR Chain:B ((431-517)) ------------PADVSTFLAF-PSPEKLLRLGPKSSVLIAQQTDTSDPEKVVSAFLKVSSVFKDEATVRMAVQDAVDALMQKAFNS-SSFNSNTFLTRLL--------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GRR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 318 -21363 -67.18 -248.40 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -67.18 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_2GRR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GRR-query.scw PDB file : Tito_Scwrl_2GRR.pdb: