Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------MRFEVLSTSLI---VTKIVFFVR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ 3MGB Chain:B ((35-319)) MNGIRWIASYPKAGNTWVRCMLAAYITGKAPQVWNDIDAESLTLEAMLRFGDLPPAEPMEPVLVKTHLKADVPVLGLYGEATAKVLYLVRNPRDMLLSSMRMASISRDDVEKSRDFARKFIANEGLGWNGVGLGSWPENVRSWTESSSDRFPNADVLTMRYEDLKGDPVARFSEIVEFLDLGGPVDIEDIRRAVAASTLERMRELEKRSEQQGGGSPIRPQFVGEGRYDQSLSFLGEDIESDYQELLHGDSGFALYAKQYGYAG

General information: TITO was launched using: RESULT: Template: 3MGB.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 : 13 -2509 -192.96 -125.43 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : -192.96 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.159

(partial model without unconserved sides chains): PDB file : Tito_3MGB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MGB-query.scw PDB file : Tito_Scwrl_3MGB.pdb: