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Question about blueprint file generation

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Question about blueprint file generation

Hi, I am trying to use Rosetta to design an immunoglobulin structure based on the existing antibody structure. I read the paper :Chidyausiku,Tamuka M.,et al."De novo design of immunoglobulin-like domains".Nature Communications,vol.13,2022, And I found in the paper that the backbone generation was made by Rosetta Monte Carlo fragment assembly using blueprints specifying secondary structures and ABEGO tor-
sion bins, together with hydrogen bond constraints specifying β-strand pairing. 
I used to get general blueprint file, but I was confused about following steps.

I got the general blueprint file like this:

1 Q .
2 V .
3 Q .
4 L .
5 V .
6 Q .
7 S .
8 G .
9 S .
10 E .
11 L .
12 K .
13 K .
14 P .
15 G .
16 A .
17 S .
18 V .
19 K .

But I got problems about how to modify this general  blueprint file, for example: how to determine which residue could be rebuilt or leave it alone; how to decide which residue shoulld be insert in which place? Are there any tutorials or paper that I could learn to get detailed explanations on how to build blueprint files? Or are there any movers or tools that I could use to help me solve those problems? I would appreciate if someone could help me on these questions. Thank you so much!

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Fri, 2024-05-24 03:02

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Thu, 2024-06-20 13:25