To what extent "modern" geometric restraints have been upgraded over original Engh&Huber? And where I can find a consensus set of values (with variances)?
For example, Fisher et al., Acta D68:800 discusses how histidine angles change with protonation, and refers to Engh&Huber when it says that ND1-CE1-NE2 goes from 111.2 to 107.5 when histidine acquires positive charge (Fig.6). But angle table (Table 3) in original Engh&Huber from 1991 does not have any 107.5 value and seems to suggest that the numbers should rather be 111.7+-1.3 and 108.4+-1.0, respectively. I understand that these values are derived from structural databases and thus can be frequently updated. Is there some resource where "most current" values would be listed? Cheers, Ed. -- After much deep and profound brain things inside my head, I have decided to thank you for bringing peace to our home. Julian, King of Lemurs