Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTISLAKGQKVDLTKTNPGLSKVVVGLGWDTNKYDGGHDFDLDSSVFLLDAAGKCASPNDFIFYNQLEGGNGSVVHSGDNLTGAGEGD-DENVKVNLSAVPANIDKISF--VITIHDAEARSQNFGQVSNAF-----VRIVNEETNEELIRYDLAEDFSIETAIIAGELYRHNGEWKFSAIGSGYQGGLARIATDYGLQVG 2BA1 Chain:A ((1-179)) MRFVM-PGDRIG-----------------SAEEYVKGEGVYEEGGELFAAVAGKLIIKDRVAKVESIS--PIPEIVKGDVVLGRVVDLRNSIALIEVSSKKGENRGPSNRGIGILHVSNVDEGYVKEISEAVGYLDILKARVIGDNLRLSTKEEEMGVLRALCSNCKTEMVREGD-ILKCPECGRVEKR-KISTDYGKGEW

General information: TITO was launched using: RESULT: Template: 2BA1.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 : 774 -37490 -48.44 -219.24 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -48.44 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_2BA1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BA1-query.scw PDB file : Tito_Scwrl_2BA1.pdb: