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_26049_2nd6.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 110
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	143	106	74.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	32	94.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	109	74	67.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	4	80.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	6	35.3

   • 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: 17, Sequence coverage: 100.0%

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   • Total number of restraints: 230
     • Intra-residue restraints, i = j : 72
     • Sequential restraints, | i - j | = 1 : 91
       • Backbone-backbone: 31
       • Backbone-side chain: 56
       • Side chain-side chain: 3
     • Medium range restraints, 1 < | i - j | < 5 : 67
       • Backbone-backbone: 25
       • Backbone-side chain: 40
       • Side chain-side chain: 2
   • Weight of restraints: 1.0 (230)
     • Intra-residue restraints, i = j : 1.0 (72)
     • Sequential restraints, | i - j | = 1 : 1.0 (91)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (56)
       • Side chain-side chain: 1.0 (3)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (67)
       • Backbone-backbone: 1.0 (25)
       • Backbone-side chain: 1.0 (40)
       • Side chain-side chain: 1.0 (2)
   • Potential type of restraints: upper-bound-parabolic (230)
     • Intra-residue restraints, i = j : upper-bound-parabolic (72)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (91)
       • Backbone-backbone: upper-bound-parabolic (31)
       • Backbone-side chain: upper-bound-parabolic (56)
       • Side chain-side chain: upper-bound-parabolic (3)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (67)
       • Backbone-backbone: upper-bound-parabolic (25)
       • Backbone-side chain: upper-bound-parabolic (40)
       • Side chain-side chain: upper-bound-parabolic (2)
   • Range of distance target values: 3.3, 5.8 (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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

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   • Total number of restraints: 31
     • Phi angle constraints: 16
     • Psi angle constraints: 15
   • Total number of restraints per polymer type: 31
     • Protein: 31
   • Weight of restraints: 1.0 (31)
     • Phi angle constraints: 1.0 (16)
     • Psi angle constraints: 1.0 (15)
   • Potential type of restraints: square-well-parabolic (31)
     • Phi angle constraints: square-well-parabolic (16)
     • Psi angle constraints: square-well-parabolic (15)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A