Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKMRFPTLVFDIETLTDLKAGAHLYHLDLPEADVEQALTKIRRQESGMDFQRLPLHEIVCISGLWIDESGFRLF----------------------SFSREHYSEAEILQKFLSIFDKRHP-TLVSWNGSQFDLPVILFRAMYHGLSAPGLFDQGELDSQKRFNNYQNRYHHRHIDLMDVMAMF-N--GRNFQKLDDVACILGLPGKRGESGYHVPEYVRTEQWLKLTSYCEGDVLNTWFIYLRWLLLKGQMNVDEHNHWISSSIEYLQTMPQQADFLEVWQRTSKHTEFTSHYFNPLNF 4M8O Chain:A ((281-495)) ---FADPVVMAFAIATTKPP-----------------------------LKFPDSAVDQIMMISYMIDGEGFLITNREIISEDIEDFEYTPKPEYPGFFTIFNENDEVALLQRFFEHIRDVRPTVISTFNGDFFDWPFIHNRSKIHGLDMFDEI--GF-AP--DAEGEYKSSYCSHMDCFRWVKRDSYLPQGS-QGLKAVTQSKLGYNPIELDPELMTPYAFE-KPQHLSEYSVSDAVATYYLYMKY-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4M8O.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 : 762 -29297 -38.45 -160.97 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -38.45 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_4M8O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M8O-query.scw PDB file : Tito_Scwrl_4M8O.pdb: