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_30287_5vl6.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • 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: 89
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         6	ARG	HH11	7.022
         6	ARG	HH12	7.022

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	92	84	91.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	35	34	97.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	57	50	87.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	4	57.1

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	6	66.7

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

Distance restraints

1. Saveframe: Discover_distance_constraints_4
   • Status: Warning
   • 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: 246
     • Intra-residue restraints, i = j : 131
     • Sequential restraints, | i - j | = 1 : 70
       • Backbone-backbone: 31
       • Backbone-side chain: 39
     • Medium range restraints, 1 < | i - j | < 5 : 45
       • Backbone-backbone: 37
       • Backbone-side chain: 8
   • Weight of restraints: 1.0 (246)
     • Intra-residue restraints, i = j : 1.0 (131)
     • Sequential restraints, | i - j | = 1 : 1.0 (70)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (39)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (45)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (246)
     • Intra-residue restraints, i = j : square-well-parabolic (131)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (70)
       • Backbone-backbone: square-well-parabolic (31)
       • Backbone-side chain: square-well-parabolic (39)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (45)
       • Backbone-backbone: square-well-parabolic (37)
       • Backbone-side chain: square-well-parabolic (8)
   • Range of distance target values: 2.3, 5.0 (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: Discover_distance_constraints_3
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 23.5%
     • Total number of restraints: 2
       • Total hydrogen bond restraints: 2
         • O...H-x: 2
     • Weight of restraints: 1.0 (2)
       • Total hydrogen bond restraints: 1.0 (2)
         • O...H-x: 1.0 (2)
     • Potential type of restraints: square-well-parabolic (2)
       • Total hydrogen bond restraints: square-well-parabolic (2)
         • O...H-x: square-well-parabolic (2)
     • Range of distance target values: 2.15, 2.15 (Å)
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: Discover_dihedral_5
   • 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: 16
     • Omega angle constraints: 16
   • Total number of restraints per polymer type: 16
     • Protein: 16
   • Weight of restraints: 1.0 (16)
     • Omega angle constraints: 1.0 (16)
   • Potential type of restraints: square-well-parabolic (16)
     • Omega angle constraints: square-well-parabolic (16)
   • Dihedral angle restraints per residue
     • Chain_ID: A