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#16 what if to list hydrogen related outliers e.g. bond lengths

open
nobody
None
9
2007-12-20
2007-12-19
jurgenfd
No

# 41 # Warning: Unusual bond lengths

The bond lengths listed in the table below were found to deviate
more than 4 sigma from standard bond lengths (both standard values
and sigma for amino acid residues have been taken from Engh and
Huber [REF], for DNA they were taken from Parkinson et al [REF]). In
the table below for each unusual bond the bond length and the
number of standard deviations it differs from the normal value is
given.

Atom names starting with "-" belong to the previous residue in the
chain. If the second atom name is "--SS", the disulphide bridge has
a deviating length.

7 GLU ( 177 ) A CD OE2 1.360 5.9
19 GLU ( 189 ) A CD OE1 1.359 5.8
------------------------------------------------------------------------

Discussion

  • jurgenfd

    jurgenfd - 2007-12-19

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    There already is:
    # 51 # Error: Protons too far out of plane

     
  • jurgenfd

    jurgenfd - 2007-12-20

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    Use Robbies knowhow on Xray structures for determining the right sigmas

     
  • jurgenfd

    jurgenfd - 2007-12-20
    • priority: 5 --> 9
     

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