Another HBond question

Case number:845799-2001461
Topic:Biochem
Opened by:brow42
Status:Closed
Type:Question
Opened on:Friday, November 13, 2015 - 23:56
Last modified:Saturday, November 14, 2015 - 00:04

Could you describe more about how rosetta handles hbonds, how they are scored, and how the Hnet is scored? Specifically, I was looking at # of bond and directionality of bonds.

Here is a picture of 10 hbonds to the same sidechain: http://fold.it/portal/files/chatimg/irc_269484_1445571359.png

In the blog post, it says acceptors count as fully satisfied if they have at least 1 hbond.

So, specific questions, but please also elaborate if I didn't hit the right question:

1) Are acceptors purely electrostatic (no lone pair directionality)

2) Is there a big score jump if an hbond matches a donor directionality condition? An acceptor? Two bonus for both, or no bonus unless both?

3) is the preferred direction for donors along and opposite the X-H bond, X = N,O?

4) Is this partial covalent bond the difference between a red network hbond and a blue network hbond? What is the difference?

5) how did I get 10 hbonds anyway?

(Fri, 11/13/2015 - 23:56  |  1 comment)


brow42's picture
User offline. Last seen 7 weeks 1 day ago. Offline
Joined: 09/19/2011
Groups: None
Status: Open » Closed

Moved to forum http://fold.it/portal/node/2001462

Sitemap

Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, RosettaCommons