Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIYNNITELIGQTPIVKLNN---IVPEGAADVYIKLEAFNPGSSVKDRIALSMIEKAEQDGILKLGSTIVEATSGNTGIGLSWVGAAKGYKVVIVMPETMSVERRKIIQAYGAELVLTPGSEGMKGAIAKAQEIAAE-RDGFLPLQFDNPANPEVHERTTGAEILAAFGKDGLDAFVAGVGTGGTISGVSHALKSENSNIQVFAVEADESAILSGEKPGPHKIQGISAGFIPDTLDTKAYDGIVRVTSDDALALGREIGGKEGFLVGISSAAAIYGAIEVAKKLGTGKKVLALAPDNGERYLSTALYEL 5HBG Chain:B ((1-306)) MMIITTMQDAIGRTPVFKFTNKDYPIPLNSA-IYAKLEHLNPGGSVKDRLGQYLIGEGFKTGKITSKTTIIEPTAGNTGIALALVAIKHHLKTIFVVPEKFSTEKQQIMRALGALVINTPTSEGISGAIKKSKELAESIPDSYLPLQFENPDNPAAYYHTLAPEIVQELGTN-LTSFVAGIGSGGTFAGTARYLKERIPAIRLIGVEP-EGSILNGGEPGPHEIEGIGVEFIPPFFENLDIDGFETISDEEGFSYTRKLAKKNGLLVGSSSGAAFVAALKEAQRLPEGSQVLTIFPDVADRYLSKGIYL-

General information: TITO was launched using: RESULT: Template: 5HBG.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 : 1899 50549 26.62 167.38 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : 26.62 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_5HBG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HBG-query.scw PDB file : Tito_Scwrl_5HBG.pdb: