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_15115_2jni.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%

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   • 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	146	120	82.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	43	42	97.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	103	78	75.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	10	76.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	24	18	75.0

   • 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: DYANA/DIANA_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%

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   • Total number of restraints: 193
     • Intra-residue restraints, i = j : 102
     • Sequential restraints, | i - j | = 1 : 53
       • Backbone-backbone: 18
       • Backbone-side chain: 35
     • Medium range restraints, 1 < | i - j | < 5 : 8
       • Backbone-backbone: 2
       • Backbone-side chain: 3
       • Side chain-side chain: 3
     • Long range restraints, | i - j | >= 5 : 30
   • Weight of restraints: 1.0 (193)
     • Intra-residue restraints, i = j : 1.0 (102)
     • Sequential restraints, | i - j | = 1 : 1.0 (53)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (35)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (8)
       • Backbone-backbone: 1.0 (2)
       • Backbone-side chain: 1.0 (3)
       • Side chain-side chain: 1.0 (3)
     • Long range restraints, | i - j | >= 5 : 1.0 (30)
   • Potential type of restraints: upper-bound-parabolic (193)
     • Intra-residue restraints, i = j : upper-bound-parabolic (102)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (53)
       • Backbone-backbone: upper-bound-parabolic (18)
       • Backbone-side chain: upper-bound-parabolic (35)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (8)
       • Backbone-backbone: upper-bound-parabolic (2)
       • Backbone-side chain: upper-bound-parabolic (3)
       • Side chain-side chain: upper-bound-parabolic (3)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (30)
   • Range of distance target values: 2.4, 7.0 (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