Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERPTISPEHLQEAAENLSTIRDFIRFGVSALRQYDAHLGQGTEDYFAESSALVLQTLSLEWSADSEILDAKLLPSEKAEFLSLLERRINERIPTSYLLNLAYFFNKPFYVDERVLIPRSPIAELSEQRFAPYCLDENGQMREALNNLPENTKPKTPQRILDMCTGSGCIAVALAYAYPDAEVDA-TDISKEALEVASINVEHHN-KQYQVALLESDLFEKIPAENQYDLIVSNPPYVDAEDMADLPEEFLHEPELALAAGQDGLDLVRKMLAQAADYLTEDGLIVIEVGNSEWAMRQNFN-TVDFNWLTFQKGGSGIFALTAEQCRRYRKLFEEQV 1DUS Chain:A ((4-197)) --------------------------------------------------------------------------------------------------------FSEKPTTKSDVKIVEDILRGKKLKFKTDSGVFSYGKVDKGTKILVENVVVDKDDDILDLGCGYGVIGIALADE---VKSTTMADINRRAIKLAKENIKLNNLDNYDIRVVHSDLYENVK-DRKYNKIITNPPI------------------------RAGKEVLHRIIEEGKELLKDNGEIWVVIQTKQGAKSLAKYMKDVFGNVETVTIKGGYRVLKSKKL-----------

General information: TITO was launched using: RESULT: Template: 1DUS.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 : 1034 21947 21.22 114.90 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 21.22 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_1DUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DUS-query.scw PDB file : Tito_Scwrl_1DUS.pdb: