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_30347_6b35.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 60
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         1	DPN
         2	BE2
         4	DPN

       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         9	ORN	HE1	7.294

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	53	44	83.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	14	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	39	30	76.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	4	44.4

   • 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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 60.0%

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   • Total number of restraints: 41
     • Intra-residue restraints, i = j : 30
     • Sequential restraints, | i - j | = 1 : 6
       • Backbone-backbone: 3
       • Backbone-side chain: 3
     • Medium range restraints, 1 < | i - j | < 5 : 5
       • Backbone-backbone: 2
       • Backbone-side chain: 1
       • Side chain-side chain: 2
   • Weight of restraints: 1.0 (41)
     • Intra-residue restraints, i = j : 1.0 (30)
     • Sequential restraints, | i - j | = 1 : 1.0 (6)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (3)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (5)
       • Backbone-backbone: 1.0 (2)
       • Backbone-side chain: 1.0 (1)
       • Side chain-side chain: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (41)
     • Intra-residue restraints, i = j : square-well-parabolic (30)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (6)
       • Backbone-backbone: square-well-parabolic (3)
       • Backbone-side chain: square-well-parabolic (3)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (5)
       • Backbone-backbone: square-well-parabolic (2)
       • Backbone-side chain: square-well-parabolic (1)
       • Side chain-side chain: square-well-parabolic (2)
   • Range of distance target values: 2.05, 4.5 (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
   • Saveframe: CNS/XPLOR_distance_constraints_4
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 20.0%
     • Total number of restraints: 2
       • Medium range restraints, 1 < | i - j | < 5 : 1
         • Backbone-backbone: 1
       • Total hydrogen bond restraints: 1
         • O...H-x: 1
     • Weight of restraints: 1.0 (2)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (1)
         • Backbone-backbone: 1.0 (1)
       • Total hydrogen bond restraints: 1.0 (1)
         • O...H-x: 1.0 (1)
     • Potential type of restraints: square-well-parabolic (2)
       • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (1)
         • Backbone-backbone: square-well-parabolic (1)
       • Total hydrogen bond restraints: square-well-parabolic (1)
         • O...H-x: square-well-parabolic (1)
     • Range of distance target values: 1.9, 2.85 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 80.0%

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   • Total number of restraints: 4
     • Phi angle constraints: 4
   • Total number of restraints per polymer type: 4
     • Protein: 4
   • Weight of restraints: 1.0 (4)
     • Phi angle constraints: 1.0 (4)
   • Potential type of restraints: square-well-parabolic (4)
     • Phi angle constraints: square-well-parabolic (4)
   • Dihedral angle restraints per residue
     • Chain_ID: A