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------
KGVKDRVKGKSDPYHATSGALSPAKD
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KGVKDRVKGKSDPYHATSGALSPAKD

Chain assignments

Content subtype: combined_18022_2ll2.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 96.2%

     --------10--------20------
     KGVKDRVKGKSDPYHATSGALSPAKD
     | ||||||||||||||||||||||||
     K.VKDRVKGKSDPYHATSGALSPAKD
     

   • Total number of assignments
     • ¹H chemical shifts: 144
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	150	144	96.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	53	49	92.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	97	95	97.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	10	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	100.0

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

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 96.2%

     --------10--------20------
     KGVKDRVKGKSDPYHATSGALSPAKD
     | ||||||||||||||||||||||||
     K.VKDRVKGKSDPYHATSGALSPAKD
     

   • Total number of restraints: 608
     • Intra-residue restraints, i = j : 309
     • Sequential restraints, | i - j | = 1 : 217
       • Backbone-backbone: 48
       • Backbone-side chain: 116
       • Side chain-side chain: 53
     • Medium range restraints, 1 < | i - j | < 5 : 72
       • Backbone-backbone: 37
       • Backbone-side chain: 29
       • Side chain-side chain: 6
     • Long range restraints, | i - j | >= 5 : 10
   • Weight of restraints: 1.0 (608)
     • Intra-residue restraints, i = j : 1.0 (309)
     • Sequential restraints, | i - j | = 1 : 1.0 (217)
       • Backbone-backbone: 1.0 (48)
       • Backbone-side chain: 1.0 (116)
       • Side chain-side chain: 1.0 (53)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (72)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (29)
       • Side chain-side chain: 1.0 (6)
     • Long range restraints, | i - j | >= 5 : 1.0 (10)
   • Potential type of restraints: square-well-parabolic (608)
     • Intra-residue restraints, i = j : square-well-parabolic (309)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (217)
       • Backbone-backbone: square-well-parabolic (48)
       • Backbone-side chain: square-well-parabolic (116)
       • Side chain-side chain: square-well-parabolic (53)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (72)
       • Backbone-backbone: square-well-parabolic (37)
       • Backbone-side chain: square-well-parabolic (29)
       • Side chain-side chain: square-well-parabolic (6)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (10)
   • Range of distance target values: 2.0, 3.9 (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