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_19469_2md2.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_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: 55
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	75	54	72.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	19	95.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	55	35	63.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	5	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	0	0.0

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

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 100.0%

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   • Total number of restraints: 163
     • Intra-residue restraints, i = j : 52
     • Sequential restraints, | i - j | = 1 : 44
       • Backbone-backbone: 17
       • Backbone-side chain: 24
       • Side chain-side chain: 2
     • Medium range restraints, 1 < | i - j | < 5 : 67
       • Backbone-backbone: 12
       • Backbone-side chain: 32
       • Side chain-side chain: 23
   • Weight of restraints: 1.0 (163)
     • Intra-residue restraints, i = j : 1.0 (52)
     • Sequential restraints, | i - j | = 1 : 1.0 (44)
       • Backbone-backbone: 1.0 (17)
       • Backbone-side chain: 1.0 (24)
       • Side chain-side chain: 1.0 (2)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (67)
       • Backbone-backbone: 1.0 (12)
       • Backbone-side chain: 1.0 (32)
       • Side chain-side chain: 1.0 (23)
   • Potential type of restraints: upper-bound-parabolic (163)
     • Intra-residue restraints, i = j : upper-bound-parabolic (52)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (44)
       • Backbone-backbone: upper-bound-parabolic (17)
       • Backbone-side chain: upper-bound-parabolic (24)
       • Side chain-side chain: upper-bound-parabolic (2)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (67)
       • Backbone-backbone: upper-bound-parabolic (12)
       • Backbone-side chain: upper-bound-parabolic (32)
       • Side chain-side chain: upper-bound-parabolic (23)
   • Range of distance target values: 2.8, 4.9 (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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 100.0%

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   • Total number of restraints: 16
     • Phi angle constraints: 8
     • Psi angle constraints: 8
   • Total number of restraints per polymer type: 16
     • Protein: 16
   • Weight of restraints: 1.0 (16)
     • Phi angle constraints: 1.0 (8)
     • Psi angle constraints: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (16)
     • Phi angle constraints: square-well-parabolic (8)
     • Psi angle constraints: square-well-parabolic (8)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A