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_18335_2lqy.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 87
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	118	87	73.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	39	95.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	77	48	62.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	9	64.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	12	63.2

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

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 95.0%

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   • Total number of restraints: 148
     • Intra-residue restraints, i = j : 72
     • Sequential restraints, | i - j | = 1 : 44
       • Backbone-backbone: 20
       • Backbone-side chain: 21
       • Side chain-side chain: 3
     • Medium range restraints, 1 < | i - j | < 5 : 32
       • Backbone-backbone: 15
       • Backbone-side chain: 15
       • Side chain-side chain: 2
   • Weight of restraints: 1.0 (148)
     • Intra-residue restraints, i = j : 1.0 (72)
     • Sequential restraints, | i - j | = 1 : 1.0 (44)
       • Backbone-backbone: 1.0 (20)
       • Backbone-side chain: 1.0 (21)
       • Side chain-side chain: 1.0 (3)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (32)
       • Backbone-backbone: 1.0 (15)
       • Backbone-side chain: 1.0 (15)
       • Side chain-side chain: 1.0 (2)
   • Potential type of restraints: upper-bound-parabolic (148)
     • Intra-residue restraints, i = j : upper-bound-parabolic (72)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (44)
       • Backbone-backbone: upper-bound-parabolic (20)
       • Backbone-side chain: upper-bound-parabolic (21)
       • Side chain-side chain: upper-bound-parabolic (3)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (32)
       • Backbone-backbone: upper-bound-parabolic (15)
       • Backbone-side chain: upper-bound-parabolic (15)
       • Side chain-side chain: upper-bound-parabolic (2)
   • Range of distance target values: 2.55, 8.93 (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