NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype
458321 2krc cing 1-original 7 PDB coordinate alignment tensor


! SCULPTOR (CNS) format
! created by dconv 0.85b, FreeBSD/i386 port
!
! duplicit data were not removed
! data were normalized to N ILE3  HN ILE3 (C1=21593.5, r1=1.041)
! data errors were normalized too
! data were not weighted by their respective errors
! reference structure: pdb/N_delta_gel2_14.pdb,1
! alignment tensor was calculated from active data and structure
!  by LLS SVD fit, optimized parameters: 5 out of 6
! int. const. were multiplied and alignment tensor divided by 1 
!
! alignment tensor: alpha=104.5, beta=105.2, gamma=321.9, Da=10.02, R=0.061
{ alignment tensor axes, to be put into atensor PDB:
ATOM      1 X    ORI     1       0.649  -0.722  -0.242  1.00  0.00      TEN1
ATOM      2 Y    ORI     1      -0.045  -0.353   0.934  1.00  0.00      TEN1
ATOM      3 Z    ORI     1      -0.760  -0.595  -0.262  1.00  0.00      TEN1
ATOM      4 OO   ORI     1       0.000   0.000   0.000  1.00  0.00      TEN1
ATOM      5 OE   EVS     2       0.000   2.000   0.000  1.00  0.00      TEN1
ATOM      6 X1   EVS     2       9.278   2.000   0.000  1.00  0.00      TEN1
ATOM      7 Z1   EVS     2       0.000   2.000   0.568  1.00  0.00      TEN1
}


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