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_17644_2ld2.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 83.3%

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   • Total number of assignments
     • ¹H chemical shifts: 64
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	115	64	55.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	30	88.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	81	34	42.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	4	36.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	4	40.0

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

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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: 18, Sequence coverage: 83.3%

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   • Total number of restraints: 129
     • Intra-residue restraints, i = j : 54
     • Sequential restraints, | i - j | = 1 : 44
       • Backbone-backbone: 19
       • Backbone-side chain: 22
       • Side chain-side chain: 3
     • Medium range restraints, 1 < | i - j | < 5 : 31
       • Backbone-backbone: 7
       • Backbone-side chain: 18
       • Side chain-side chain: 6
   • Weight of restraints: 1.0 (129)
     • Intra-residue restraints, i = j : 1.0 (54)
     • Sequential restraints, | i - j | = 1 : 1.0 (44)
       • Backbone-backbone: 1.0 (19)
       • Backbone-side chain: 1.0 (22)
       • Side chain-side chain: 1.0 (3)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (31)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (18)
       • Side chain-side chain: 1.0 (6)
   • Potential type of restraints: square-well-parabolic (129)
     • Intra-residue restraints, i = j : square-well-parabolic (54)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (44)
       • Backbone-backbone: square-well-parabolic (19)
       • Backbone-side chain: square-well-parabolic (22)
       • Side chain-side chain: square-well-parabolic (3)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (31)
       • Backbone-backbone: square-well-parabolic (7)
       • Backbone-side chain: square-well-parabolic (18)
       • Side chain-side chain: square-well-parabolic (6)
   • Range of distance target values: 1.4, 2.5 (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