Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLAIASALLSALAVSGAANAYQAEVGGSYNYLDPDNGSSVSKFGVDGTYYFNPVQTRNAPLAEAAFLNRASNVNAHVNYGDNSGTKDTQYGVGVEYFVPNSDFYLSGDVGRNEREIDNTNIDSKVTTYAAEVGYLPAPGLLLALGVKGYDEKDGKD-GADPTVRAKYVTQVGQHDVNLEAYGAFG----DLDEYKVRGDYYIDKTLSLGVDYYNNDLT-DKDEFGINAKKFLNQQVSVEGRVGFGD-NDNTYGVRAAYRF 1BH3 Chain:A ((142-289)) --------------------------------------------------------------------------------------------------------VNLYLSYVDPDQTVD---SSLVTEEFGIAADWSNDM-ISLAAAYTTDAGG--IVDNDIAFVGAAYKFN-DA--GTVGLNWYDNGLSTAGDQVTLYGNYAFG-ATTVRAYVSDIDRAGADTAYGIGADYQFAEGVKVSGSVQSGFANETVADVGVRFDF

General information: TITO was launched using: RESULT: Template: 1BH3.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 : 546 13318 24.39 94.45 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 24.39 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.069

(partial model without unconserved sides chains): PDB file : Tito_1BH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BH3-query.scw PDB file : Tito_Scwrl_1BH3.pdb: