The Dof (DNA binding with one finger) transcription factor family represents a typical example of zinc finger transcription factors associated with diverse functions exclusively in plants. In the present study three dimensional structure of twenty one Dof proteins of sorghum were predicted by I-TASSER server based multiple threading method and the resulting modelled structures were validated by PROCHECK, Ramachandran Plot and QMEAN Z-score. These models were assigned PMDB IDs PM0079009 to PM0079021 and PM0079023 to PM0079030. The secondary structure revealed diversity in terms of sheets, beta-alpha-beta units, beta hairpin, beta bulges, strands, helices, helix-helix interactions, beta turns and gamma turns. The structural motif scan revealed presence of specific amino acid rich profile for each SbDof proteins along with a typical zinc finger Dof type profile. The putative functions were also predicted based on gene ontology (GO) terms in I-TASSER server. In-silico expression profiling based on the available transcriptome data revealed functional divergence.