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

--------10--------20-----
GWGSFFKKAAHVGKHVGKAALTHYL
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GWGSFFKKAAHVGKHVGKAALTHYL

Chain assignments

Content subtype: combined_18418_2ls9.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 100.0%

     --------10--------20-----
     GWGSFFKKAAHVGKHVGKAALTHYL
     |||||||||||||||||||||||||
     GWGSFFKKAAHVGKHVGKAALTHYL
     

   • Total number of assignments
     • ¹H chemical shifts: 120
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	150	120	80.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	54	51	94.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	96	69	71.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	11	84.6

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	26	7	26.9

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 100.0%

     --------10--------20-----
     GWGSFFKKAAHVGKHVGKAALTHYL
     |||||||||||||||||||||||||
     GWGSFFKKAAHVGKHVGKAALTHYL
     

   • Total number of restraints: 173
     • Intra-residue restraints, i = j : 97
     • Sequential restraints, | i - j | = 1 : 52
       • Backbone-backbone: 33
       • Backbone-side chain: 13
       • Side chain-side chain: 5
     • Medium range restraints, 1 < | i - j | < 5 : 24
       • Backbone-backbone: 18
       • Backbone-side chain: 4
       • Side chain-side chain: 2
   • Weight of restraints: 1.0 (173)
     • Intra-residue restraints, i = j : 1.0 (97)
     • Sequential restraints, | i - j | = 1 : 1.0 (52)
       • Backbone-backbone: 1.0 (33)
       • Backbone-side chain: 1.0 (13)
       • Side chain-side chain: 1.0 (5)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (24)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (4)
       • Side chain-side chain: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (173)
     • Intra-residue restraints, i = j : square-well-parabolic (97)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (52)
       • Backbone-backbone: square-well-parabolic (33)
       • Backbone-side chain: square-well-parabolic (13)
       • Side chain-side chain: square-well-parabolic (5)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (24)
       • Backbone-backbone: square-well-parabolic (18)
       • Backbone-side chain: square-well-parabolic (4)
       • Side chain-side chain: square-well-parabolic (2)
   • Range of distance target values: 1.75, 8.83 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A