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_20009_2rvd.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 62
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	62	61	98.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	19	95.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	42	42	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	2	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	18	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: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 100.0%

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   • Total number of restraints: 108
     • Intra-residue restraints, i = j : 33
     • Sequential restraints, | i - j | = 1 : 20
       • Backbone-backbone: 5
       • Backbone-side chain: 15
     • Medium range restraints, 1 < | i - j | < 5 : 31
       • Backbone-backbone: 1
       • Backbone-side chain: 9
       • Side chain-side chain: 21
     • Long range restraints, | i - j | >= 5 : 24
   • Weight of restraints: 1.0 (108)
     • Intra-residue restraints, i = j : 1.0 (33)
     • Sequential restraints, | i - j | = 1 : 1.0 (20)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (15)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (31)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (9)
       • Side chain-side chain: 1.0 (21)
     • Long range restraints, | i - j | >= 5 : 1.0 (24)
   • Potential type of restraints: upper-bound-parabolic (108)
     • Intra-residue restraints, i = j : upper-bound-parabolic (33)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (20)
       • Backbone-backbone: upper-bound-parabolic (5)
       • Backbone-side chain: upper-bound-parabolic (15)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (31)
       • Backbone-backbone: upper-bound-parabolic (1)
       • Backbone-side chain: upper-bound-parabolic (9)
       • Side chain-side chain: upper-bound-parabolic (21)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (24)
   • Range of distance target values: 2.82, 5.5 (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