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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YAFACPACPKRFMRSDALSKHIKTAFIVVALG
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YAFACPACPKRFMRSDALSKHIKTAFIVVALG

Chain assignments

Content subtype: combined_16187_2kfq.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 100.0%

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     YAFACPACPKRFMRSDALSKHIKTAFIVVALG
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     YAFACPACPKRFMRSDALSKHIKTAFIVVALG
     

   • Total number of assignments
     • ¹H chemical shifts: 189
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	193	189	97.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	63	62	98.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	130	127	97.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	18	90.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	21	20	95.2

   • 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: 32, Sequence coverage: 100.0%

     --------10--------20--------30--
     YAFACPACPKRFMRSDALSKHIKTAFIVVALG
     ||||||||||||||||||||||||||||||||
     YAFACPACPKRFMRSDALSKHIKTAFIVVALG
     

   • Total number of restraints: 412
     • Intra-residue restraints, i = j : 196
     • Sequential restraints, | i - j | = 1 : 135
       • Backbone-backbone: 25
       • Backbone-side chain: 77
       • Side chain-side chain: 33
     • Medium range restraints, 1 < | i - j | < 5 : 81
       • Backbone-backbone: 6
       • Backbone-side chain: 33
       • Side chain-side chain: 42
   • Weight of restraints: 1.0 (412)
     • Intra-residue restraints, i = j : 1.0 (196)
     • Sequential restraints, | i - j | = 1 : 1.0 (135)
       • Backbone-backbone: 1.0 (25)
       • Backbone-side chain: 1.0 (77)
       • Side chain-side chain: 1.0 (33)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (81)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (33)
       • Side chain-side chain: 1.0 (42)
   • Potential type of restraints: upper-bound-parabolic (412)
     • Intra-residue restraints, i = j : upper-bound-parabolic (196)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (135)
       • Backbone-backbone: upper-bound-parabolic (25)
       • Backbone-side chain: upper-bound-parabolic (77)
       • Side chain-side chain: upper-bound-parabolic (33)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (81)
       • Backbone-backbone: upper-bound-parabolic (6)
       • Backbone-side chain: upper-bound-parabolic (33)
       • Side chain-side chain: upper-bound-parabolic (42)
   • Range of distance target values: 2.4, 9.76 (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