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

--------10--------20--------30--------
RWKIFKKIEKVGRNVRDGIIKAGPAVAVVGQAATVVKX
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RWKIFKKIEKVGRNVRDGIIKAGPAVAVVGQAATVVKX

Chain assignments

Content subtype: combined_17500_2la2.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 38, Sequence coverage: 97.4%

     --------10--------20--------30--------
     RWKIFKKIEKVGRNVRDGIIKAGPAVAVVGQAATVVKX
     ||||||||||||||||||||||||||||||||||||| 
     RWKIFKKIEKVGRNVRDGIIKAGPAVAVVGQAATVVK 
     --------10--------20--------30------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 222
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	233	222	95.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	77	74	96.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	156	148	94.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	28	28	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	10	90.9

   • 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: 38, Sequence coverage: 97.4%

     --------10--------20--------30--------
     RWKIFKKIEKVGRNVRDGIIKAGPAVAVVGQAATVVKX
     ||||||||||||||||||||||||||||||||||||| 
     RWKIFKKIEKVGRNVRDGIIKAGPAVAVVGQAATVVK 
     --------10--------20--------30------- 
     

   • Total number of restraints: 679
     • Intra-residue restraints, i = j : 222
     • Sequential restraints, | i - j | = 1 : 222
       • Backbone-backbone: 77
       • Backbone-side chain: 120
       • Side chain-side chain: 25
     • Medium range restraints, 1 < | i - j | < 5 : 227
       • Backbone-backbone: 83
       • Backbone-side chain: 101
       • Side chain-side chain: 43
     • Long range restraints, | i - j | >= 5 : 8
   • Weight of restraints: 1.0 (679)
     • Intra-residue restraints, i = j : 1.0 (222)
     • Sequential restraints, | i - j | = 1 : 1.0 (222)
       • Backbone-backbone: 1.0 (77)
       • Backbone-side chain: 1.0 (120)
       • Side chain-side chain: 1.0 (25)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (227)
       • Backbone-backbone: 1.0 (83)
       • Backbone-side chain: 1.0 (101)
       • Side chain-side chain: 1.0 (43)
     • Long range restraints, | i - j | >= 5 : 1.0 (8)
   • Potential type of restraints: upper-bound-parabolic (679)
     • Intra-residue restraints, i = j : upper-bound-parabolic (222)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (222)
       • Backbone-backbone: upper-bound-parabolic (77)
       • Backbone-side chain: upper-bound-parabolic (120)
       • Side chain-side chain: upper-bound-parabolic (25)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (227)
       • Backbone-backbone: upper-bound-parabolic (83)
       • Backbone-side chain: upper-bound-parabolic (101)
       • Side chain-side chain: upper-bound-parabolic (43)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (8)
   • Range of distance target values: 2.4, 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