NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
624331 5ujh 30233 cing 1-original 1 DYANA/DIANA dihedral angle


# Restraints file 1: grn23_6_talosn.aco

# Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
#    error margins are set to conservative default values of double the 
#    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
   #2   PRO  PHI     -89.1   -49.1
#   2   PRO  PSI     114.8   193.2
   3   ASP  PHI     -91.8   -42.0
   3   ASP  PSI     116.7   170.6
  # 4   PRO  PHI     -86.1   -46.1
#  4   PRO  PSI     127.4   167.4
   6   TYR  PHI    -108.1   -53.0
   6   TYR  PSI     109.9   155.9
   7   THR  PHI    -133.3   -58.7
   7   THR  PSI      94.4   157.6
   8   CYSS  PHI    -109.7   -59.0
   8   CYSS  PSI      65.9   177.5
   9   ARG  PHI    -122.2   -45.9
   9   ARG  PSI     101.1   171.4
  #10   PRO  PHI     -81.2   -41.2
#  10   PRO  PSI     123.1   163.1
  12   GLN  PHI     -95.8   -49.5
  12   GLN  PSI     117.2   157.2
  13   THR  PHI    -116.1   -53.4
  13   THR  PSI      89.7   159.0
  15   ALA  PHI    -108.5   -51.6
  15   ALA  PSI     101.3   160.3
  18   LEU  PHI    -133.3   -64.6
  18   LEU  PSI      77.5   157.7
  20   GLY  PHI      65.6   105.6
  20   GLY  PSI     -21.5    20.3
  21   TYR  PHI    -114.8   -67.4
  21   TYR  PSI     105.9   147.0
  22   GLY  PHI    -167.1   -33.8
  22   GLY  PSI     115.0   184.0

# Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
#    error margins are set to default values of triple the standard
#    deviation observed in TALOS-N capped at a minimum of +/-30 degree.
   5   VAL  PHI    -133.5   -29.6
   5   VAL  PSI      77.1   179.4
  14   CYSS  PHI    -115.4   -33.5
  14   CYSS  PSI      84.5   189.5
  16   ARG  PHI    -175.0    -9.3
  16   ARG  PSI      90.2   215.7
  19   HIS  PHI      27.3    87.3
  19   HIS  PSI       0.9    60.9
# 12 GLN PHI -150 -90
#7 THR PHI -150 -90
#8 CYSS PHI -90 -30
#9 ARG PHI -90 -30
#8 CYSS PSI -70 -50
#14 CYSS PHI -150 -90
#11 GLY PHI -180 -20 
17 GLY PHI 10 90
#20 GLY PHI 10 90
#19 HIS PHI -180 -20
#5 VAL PHI -90 -30
23 CYSS PHI -150 -90
1 CYSS CHI1 -90 -30
8 CYSS CHI1 -210 -150 
14 CYSS CHI1 30 90 
#6 TYR CHI1 -210 -150
21 TYR CHI1 -210 -150
23 CYSS CHI1 -90 -30


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Monday, June 3, 2024 11:34:55 AM GMT (wattos1)