Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERPTISPEHLQEAAENLSTIRDFIRFGVSALRQYDAHLGQGTEDYFAESSALVLQTLSLEWSADSEILDAKLLPSEKAEFLSLLERRINERIPTSYLLNLAYFFNKPFYVDERVLIPRSPIAELSEQRFAPYCLDENGQMREALNNLPENTKPKTPQRILDMCTGSGCIAVALAYAYPDAEVDATDISKEALEVASINVEHHNKQYQVALLESDLFEKIPAENQYDLIVSNPPYVDAEDMADLPEEFLHEPELALAAGQDGLDLVRKMLAQAADYLTEDGLIVIEVGNSEWAMRQNFNTVDFNWLTFQKGGSGIFALTAEQCRRYRKLFEEQV 3GRZ Chain:B ((61-141)) ------------------------------------------------------------------------------------------------------------------------------------------------------------PLTVADVGTGSGILAIA-AHKLGAKSVLATDISDESMTAAEENAA-LNGIYDIALQKTSLLADV--DGKFDLIVAN---ILAEILLDL------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GRZ.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 : 364 -37016 -101.69 -456.98 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : -101.69 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_3GRZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GRZ-query.scw PDB file : Tito_Scwrl_3GRZ.pdb: