I'm investigating the use of new recombinant/synthetic peptides in diagnostic platforms. Recently, I started using biotin-fused peptides, but I can't predict their structures by most software (i-tasser, swiss-model, rosetta).
Interesting question. Like you I was unable to find a prediction method for this purpose. Perhaps the following paper is of interest to you, with an interesting approach and good references:
Bräuer, M., Zich, M. T., Önder, K., & Müller, N. (2019). The influence of commonly used tags on structural propensities and internal dynamics of peptides. Monatshefte für Chemie-Chemical Monthly, 150(5), 913-925.