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_25201_2mu7.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 109
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	117	108	92.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	43	42	97.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	74	66	89.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	9	90.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

   • 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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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   • Total number of restraints: 143
     • Intra-residue restraints, i = j : 86
     • Sequential restraints, | i - j | = 1 : 43
       • Backbone-backbone: 27
       • Backbone-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 14
       • Backbone-backbone: 10
       • Backbone-side chain: 4
   • Weight of restraints: 1.0 (143)
     • Intra-residue restraints, i = j : 1.0 (86)
     • Sequential restraints, | i - j | = 1 : 1.0 (43)
       • Backbone-backbone: 1.0 (27)
       • Backbone-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (14)
       • Backbone-backbone: 1.0 (10)
       • Backbone-side chain: 1.0 (4)
   • Potential type of restraints: square-well-parabolic (143)
     • Intra-residue restraints, i = j : square-well-parabolic (86)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (43)
       • Backbone-backbone: square-well-parabolic (27)
       • Backbone-side chain: square-well-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (14)
       • Backbone-backbone: square-well-parabolic (10)
       • Backbone-side chain: square-well-parabolic (4)
   • Range of distance target values: 2.25, 4.25 (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: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 40.0%
     • Total number of restraints: 5
       • Total hydrogen bond restraints: 5
         • O...H-x: 5
     • Weight of restraints: 1.0 (5)
       • Total hydrogen bond restraints: 1.0 (5)
         • O...H-x: 1.0 (5)
     • Potential type of restraints: square-well-parabolic (5)
       • Total hydrogen bond restraints: square-well-parabolic (5)
         • O...H-x: square-well-parabolic (5)
     • 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_6
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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   • Total number of restraints: 19
     • Omega angle constraints: 19
   • Total number of restraints per polymer type: 19
     • Protein: 19
   • Weight of restraints: 1.0 (19)
     • Omega angle constraints: 1.0 (19)
   • Potential type of restraints: square-well-parabolic (19)
     • Omega angle constraints: square-well-parabolic (19)
   • Dihedral angle restraints per residue
     • Chain_ID: A