[phenixbb] cis peptide question
Edward A. Berry
BerryE at upstate.edu
Mon Jul 15 18:00:21 PDT 2013
I have a cis-peptide in my structure. Phenix recognizes it
and .geo file shows this is restrained to 0*:
dihedral pdb=" CA ALA A 401 "
pdb=" C ALA A 401 "
pdb=" N SER A 402 "
pdb=" CA SER A 402 "
ideal model delta harmonic sigma weight residual
0.00 -1.58 1.58 0 5.00e+00 4.00e-02 1.00e-01
However in statistics printed with the output pdb, I have
at least one dihedral that is flagged as off by about 180*:
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD MAX COUNT
REMARK 3 DIHEDRAL : 12.902 168.987 3277
Could this be my cis peptide, or do I have a really bad dihedral somewhere else?
More information about the phenixbb