Properties

Disulfide bonds

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Non-standard residues

Sequence alignments

• Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-140-----150--
GRKRRQTSMTDFYH
||||||||||||||
GRKRRQTSMTDFYH
--------10----

Chain assignments

Content subtype: combined_30407_6cej.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 14, Sequence coverage: 92.9%

     -140-----150--
     GRKRRQTSMTDFYH
      |||||||||||||
     .RKRRQTSMTDFYH
     

   • Total number of assignments
     • ¹H chemical shifts: 84
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	94	83	88.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	29	25	86.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	65	58	89.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	3	2	66.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	11	100.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 14, Sequence coverage: 92.9%

     -140-----150--
     GRKRRQTSMTDFYH
      |||||||||||||
     .RKRRQTSMTDFYH
     

   • Total number of restraints: 115
     • Intra-residue restraints, i = j : 79
     • Sequential restraints, | i - j | = 1 : 32
       • Backbone-backbone: 12
       • Backbone-side chain: 20
     • Medium range restraints, 1 < | i - j | < 5 : 4
       • Backbone-side chain: 4
   • Weight of restraints: 1.0 (115)
     • Intra-residue restraints, i = j : 1.0 (79)
     • Sequential restraints, | i - j | = 1 : 1.0 (32)
       • Backbone-backbone: 1.0 (12)
       • Backbone-side chain: 1.0 (20)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (4)
       • Backbone-side chain: 1.0 (4)
   • Potential type of restraints: square-well-parabolic (115)
     • Intra-residue restraints, i = j : square-well-parabolic (79)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (32)
       • Backbone-backbone: square-well-parabolic (12)
       • Backbone-side chain: square-well-parabolic (20)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (4)
       • Backbone-side chain: square-well-parabolic (4)
   • Range of distance target values: 1.52, 5.35 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A
   • Saveframe: CNS/XPLOR_distance_constraints_4
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 14, Sequence coverage: 14.3%
     • Total number of restraints: 6
       • Intra-residue restraints, i = j : 2
       • Total hydrogen bond restraints: 4
         • O...H-x: 2
         • O...h-N: 2
     • Weight of restraints: 1.0 (6)
       • Intra-residue restraints, i = j : 1.0 (2)
       • Total hydrogen bond restraints: 1.0 (4)
         • O...H-x: 1.0 (2)
         • O...h-N: 1.0 (2)
     • Potential type of restraints: square-well-parabolic (6)
       • Intra-residue restraints, i = j : square-well-parabolic (2)
       • Total hydrogen bond restraints: square-well-parabolic (4)
         • O...H-x: square-well-parabolic (2)
         • O...h-N: square-well-parabolic (2)
     • Range of distance target values: 2.05, 3.05 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map