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_17395_2l87.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 96.3%

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   • Total number of assignments
     • ¹H chemical shifts: 154
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	173	140	80.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	52	48	92.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	121	92	76.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	12	92.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	16	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_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 96.3%

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   • Total number of restraints: 447
     • Intra-residue restraints, i = j : 246
     • Sequential restraints, | i - j | = 1 : 137
       • Backbone-backbone: 43
       • Backbone-side chain: 61
       • Side chain-side chain: 33
     • Medium range restraints, 1 < | i - j | < 5 : 64
       • Backbone-backbone: 14
       • Backbone-side chain: 26
       • Side chain-side chain: 24
   • Weight of restraints: 1.0 (447)
     • Intra-residue restraints, i = j : 1.0 (246)
     • Sequential restraints, | i - j | = 1 : 1.0 (137)
       • Backbone-backbone: 1.0 (43)
       • Backbone-side chain: 1.0 (61)
       • Side chain-side chain: 1.0 (33)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (64)
       • Backbone-backbone: 1.0 (14)
       • Backbone-side chain: 1.0 (26)
       • Side chain-side chain: 1.0 (24)
   • Potential type of restraints: square-well-parabolic (447)
     • Intra-residue restraints, i = j : square-well-parabolic (246)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (137)
       • Backbone-backbone: square-well-parabolic (43)
       • Backbone-side chain: square-well-parabolic (61)
       • Side chain-side chain: square-well-parabolic (33)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (64)
       • Backbone-backbone: square-well-parabolic (14)
       • Backbone-side chain: square-well-parabolic (26)
       • Side chain-side chain: square-well-parabolic (24)
   • Range of distance target values: 2.33, 4.73 (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