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_15753_2jwg.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 46, Sequence coverage: 97.8%

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   • Total number of assignments
     • ¹H chemical shifts: 276
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	285	276	96.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	92	88	95.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	193	188	97.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	11	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	13	100.0

   • 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: CNS/XPLOR_distance_constraints_3
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 46, Sequence coverage: 97.8%

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   • Total number of restraints: 1756
     • Intra-residue restraints, i = j : 831
     • Sequential restraints, | i - j | = 1 : 329
       • Backbone-backbone: 86
       • Backbone-side chain: 183
       • Side chain-side chain: 60
     • Medium range restraints, 1 < | i - j | < 5 : 221
       • Backbone-backbone: 32
       • Backbone-side chain: 93
       • Side chain-side chain: 96
     • Long range restraints, | i - j | >= 5 : 375
   • Weight of restraints: 1.0 (1756)
     • Intra-residue restraints, i = j : 1.0 (831)
     • Sequential restraints, | i - j | = 1 : 1.0 (329)
       • Backbone-backbone: 1.0 (86)
       • Backbone-side chain: 1.0 (183)
       • Side chain-side chain: 1.0 (60)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (221)
       • Backbone-backbone: 1.0 (32)
       • Backbone-side chain: 1.0 (93)
       • Side chain-side chain: 1.0 (96)
     • Long range restraints, | i - j | >= 5 : 1.0 (375)
   • Potential type of restraints: square-well-parabolic (1756)
     • Intra-residue restraints, i = j : square-well-parabolic (831)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (329)
       • Backbone-backbone: square-well-parabolic (86)
       • Backbone-side chain: square-well-parabolic (183)
       • Side chain-side chain: square-well-parabolic (60)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (221)
       • Backbone-backbone: square-well-parabolic (32)
       • Backbone-side chain: square-well-parabolic (93)
       • Side chain-side chain: square-well-parabolic (96)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (375)
   • Range of distance target values: 1.7, 4.0 (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