Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------MEKFVEKMLGQALRQYGRNVAIDPLSPYEKQSLKAALQERRNEEPDEDLHAHIEDIIYDYVTNQGLFS----------------------------------------------------------------------------------------------------------------------------------------- 3BM3 Chain:A ((2-260)) VRNLVIDITKKPTQNIPPTNEIIEEAITELNVDELLDRLFEKDESGEVITPSRIAKMLEEKAFEIYKEYEKQVREAYLSA-----------GYSREKLEQSFQQARFSRGGKAFEIIFTKLLNKFGIRYEHDRVIKIYDYITEGEKPAFIIPSVRTFLNDPSSAILITVKRKVRERWREAVGEAQILRNKFGDEINFWFVGFDEEFTIYSAIAMLDNGIDRVYVIDGRYDSLIEEIKRISDPNFNEDKYIQKIRRFSDIFDDIIQFLNKH

General information: TITO was launched using: RESULT: Template: 3BM3.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 : 87 5611 64.49 98.44 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 64.49 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_3BM3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BM3-query.scw PDB file : Tito_Scwrl_3BM3.pdb: