AMBER Archive (2004)

Subject: AMBER: histidine and its various forms

From: Stern, Julie (jvstern_at_bnl.gov)
Date: Wed Feb 18 2004 - 08:38:31 CST


Hello,
  
    I need to name a histidine that doesn't have a hydrogen
on either the delta nitrogen or the epsilon nitrogen. Just
using HIS defaults to HID which is the name for protonation
on the delta position. HIE is the name for protonation on
the epsilon position. HIP is the name for protonation on
both positions. But, what would I call or how would I do
a workaround for protonation on neither position?

Thanks for help and suggestions.

Sincerely,
Julie Stern
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