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_15095_2jn5.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 12, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 65
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	79	65	82.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	24	96.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	54	41	75.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	4	57.1

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	3	60.0

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

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: 12, Sequence coverage: 100.0%

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   • Total number of restraints: 123
     • Intra-residue restraints, i = j : 89
     • Sequential restraints, | i - j | = 1 : 22
       • Backbone-backbone: 7
       • Backbone-side chain: 10
       • Side chain-side chain: 5
     • Medium range restraints, 1 < | i - j | < 5 : 11
       • Backbone-backbone: 1
       • Backbone-side chain: 3
       • Side chain-side chain: 7
     • Long range restraints, | i - j | >= 5 : 1
   • Weight of restraints: 1.0 (123)
     • Intra-residue restraints, i = j : 1.0 (89)
     • Sequential restraints, | i - j | = 1 : 1.0 (22)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (10)
       • Side chain-side chain: 1.0 (5)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (11)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (3)
       • Side chain-side chain: 1.0 (7)
     • Long range restraints, | i - j | >= 5 : 1.0 (1)
   • Potential type of restraints: square-well-parabolic (123)
     • Intra-residue restraints, i = j : square-well-parabolic (89)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (22)
       • Backbone-backbone: square-well-parabolic (7)
       • Backbone-side chain: square-well-parabolic (10)
       • Side chain-side chain: square-well-parabolic (5)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (11)
       • Backbone-backbone: square-well-parabolic (1)
       • Backbone-side chain: square-well-parabolic (3)
       • Side chain-side chain: square-well-parabolic (7)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (1)
   • Range of distance target values: 1.78, 5.31 (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