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_19823_2mlj.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 104
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	103	99	96.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	37	36	97.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	63	95.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	5	83.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	8	80.0

   • 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: 18, Sequence coverage: 100.0%

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   • Total number of restraints: 186
     • Intra-residue restraints, i = j : 108
     • Sequential restraints, | i - j | = 1 : 42
       • Backbone-backbone: 22
       • Backbone-side chain: 15
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 5
       • Backbone-side chain: 4
     • Long range restraints, | i - j | >= 5 : 29
     • Total hydrogen bond restraints: 2
   • Weight of restraints: 1.0 (186)
     • Intra-residue restraints, i = j : 1.0 (108)
     • Sequential restraints, | i - j | = 1 : 1.0 (42)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (15)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (5)
       • Backbone-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (29)
     • Total hydrogen bond restraints: 1.0 (2)
   • Potential type of restraints: upper-bound-parabolic (186)
     • Intra-residue restraints, i = j : upper-bound-parabolic (108)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (42)
       • Backbone-backbone: upper-bound-parabolic (22)
       • Backbone-side chain: upper-bound-parabolic (15)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (5)
       • Backbone-side chain: upper-bound-parabolic (4)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (29)
     • Total hydrogen bond restraints: upper-bound-parabolic (2)
   • Range of distance target values: 1.33, 6.57 (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