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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VKGRIDAPDFPSSPAILGKAATDVVAAWKS
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VKGRIDAPDFPSSPAILGKAATDVVAAWKS

Chain assignments

Content subtype: combined_18289_2lq2.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 100.0%

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     VKGRIDAPDFPSSPAILGKAATDVVAAWKS
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     VKGRIDAPDFPSSPAILGKAATDVVAAWKS
     

   • Total number of assignments
     • ¹H chemical shifts: 69
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	167	69	41.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	59	53	89.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	108	16	14.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	6	31.6

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 100.0%

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     VKGRIDAPDFPSSPAILGKAATDVVAAWKS
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     VKGRIDAPDFPSSPAILGKAATDVVAAWKS
     

   • Total number of restraints: 201
     • Intra-residue restraints, i = j : 68
     • Sequential restraints, | i - j | = 1 : 101
       • Backbone-backbone: 47
       • Backbone-side chain: 54
     • Medium range restraints, 1 < | i - j | < 5 : 32
       • Backbone-backbone: 30
       • Backbone-side chain: 2
   • Weight of restraints: 1.0 (201)
     • Intra-residue restraints, i = j : 1.0 (68)
     • Sequential restraints, | i - j | = 1 : 1.0 (101)
       • Backbone-backbone: 1.0 (47)
       • Backbone-side chain: 1.0 (54)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (32)
       • Backbone-backbone: 1.0 (30)
       • Backbone-side chain: 1.0 (2)
   • Potential type of restraints: upper-bound-parabolic (201)
     • Intra-residue restraints, i = j : upper-bound-parabolic (68)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (101)
       • Backbone-backbone: upper-bound-parabolic (47)
       • Backbone-side chain: upper-bound-parabolic (54)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (32)
       • Backbone-backbone: upper-bound-parabolic (30)
       • Backbone-side chain: upper-bound-parabolic (2)
   • Range of distance target values: 2.8, 4.8 (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