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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WDPYFAGVKKLTKAILAVRAX
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WDPYFAGVKKLTKAILAVRAX

Chain assignments

Content subtype: combined_25846_2n8d.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 95.2%

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     WDPYFAGVKKLTKAILAVRA 
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   • Total number of assignments
     • ¹H chemical shifts: 122
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         19	ARG	HH11	6.632
         19	ARG	HH12	6.632
         19	ARG	HH21	6.632
         19	ARG	HH22	6.632

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	129	118	91.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	40	39	97.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	89	79	88.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	15	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	15	100.0

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

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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: 21, Sequence coverage: 95.2%

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     WDPYFAGVKKLTKAILAVRA 
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   • Total number of restraints: 228
     • Intra-residue restraints, i = j : 75
     • Sequential restraints, | i - j | = 1 : 52
       • Backbone-backbone: 3
       • Backbone-side chain: 25
       • Side chain-side chain: 24
     • Medium range restraints, 1 < | i - j | < 5 : 89
       • Backbone-side chain: 38
       • Side chain-side chain: 51
     • Long range restraints, | i - j | >= 5 : 12
   • Weight of restraints: 1.0 (228)
     • Intra-residue restraints, i = j : 1.0 (75)
     • Sequential restraints, | i - j | = 1 : 1.0 (52)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (25)
       • Side chain-side chain: 1.0 (24)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (89)
       • Backbone-side chain: 1.0 (38)
       • Side chain-side chain: 1.0 (51)
     • Long range restraints, | i - j | >= 5 : 1.0 (12)
   • Potential type of restraints: upper-bound-parabolic (228)
     • Intra-residue restraints, i = j : upper-bound-parabolic (75)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (52)
       • Backbone-backbone: upper-bound-parabolic (3)
       • Backbone-side chain: upper-bound-parabolic (25)
       • Side chain-side chain: upper-bound-parabolic (24)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (89)
       • Backbone-side chain: upper-bound-parabolic (38)
       • Side chain-side chain: upper-bound-parabolic (51)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (12)
   • Range of distance target values: 2.57, 5.5 (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