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

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Chain assignments

Content subtype: combined_18830_2m0w.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 23, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 121
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	125	121	96.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	48	47	97.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	77	74	96.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	18	90.0

   • 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: 23, Sequence coverage: 100.0%

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   • Total number of restraints: 295
     • Intra-residue restraints, i = j : 108
     • Sequential restraints, | i - j | = 1 : 105
       • Backbone-backbone: 38
       • Backbone-side chain: 52
       • Side chain-side chain: 14
     • Medium range restraints, 1 < | i - j | < 5 : 81
       • Backbone-backbone: 38
       • Backbone-side chain: 30
       • Side chain-side chain: 13
     • Long range restraints, | i - j | >= 5 : 1
   • Weight of restraints: 1.0 (295)
     • Intra-residue restraints, i = j : 1.0 (108)
     • Sequential restraints, | i - j | = 1 : 1.0 (105)
       • Backbone-backbone: 1.0 (38)
       • Backbone-side chain: 1.0 (52)
       • Side chain-side chain: 1.0 (14)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (81)
       • Backbone-backbone: 1.0 (38)
       • Backbone-side chain: 1.0 (30)
       • Side chain-side chain: 1.0 (13)
     • Long range restraints, | i - j | >= 5 : 1.0 (1)
   • Potential type of restraints: square-well-parabolic (295)
     • Intra-residue restraints, i = j : square-well-parabolic (108)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (105)
       • Backbone-backbone: square-well-parabolic (38)
       • Backbone-side chain: square-well-parabolic (52)
       • Side chain-side chain: square-well-parabolic (14)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (81)
       • Backbone-backbone: square-well-parabolic (38)
       • Backbone-side chain: square-well-parabolic (30)
       • Side chain-side chain: square-well-parabolic (13)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (1)
   • Range of distance target values: 2.1, 5.6 (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