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------
CKRKGSSCRRTSYDCCTGSCRNGKCX
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CKRKGSSCRRTSYDCCTGSCRNGKCX

Chain assignments

Content subtype: combined_36177_5znu.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 92.3%

     --------10--------20------
     CKRKGSSCRRTSYDCCTGSCRNGKCX
      |||||||||||||||||||||||| 
     .KRKGSSCRRTSYDCCTGSCRNGKC 
     --------10--------20----- 
     

   • Total number of assignments
     • ¹H chemical shifts: 131
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         24	LYS	HZ1	6.787
         24	LYS	HZ2	6.787
         24	LYS	HZ3	6.787

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	143	128	89.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	53	51	96.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	90	77	85.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	2	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	2	50.0

   • 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: 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------
     CKRKGSSCRRTSYDCCTGSCRNGKCX
     ||||||||||||||||||||||||| 
     CKRKGSSCRRTSYDCCTGSCRNGKC 
     --------10--------20----- 
     

   • Total number of restraints: 323
     • Intra-residue restraints, i = j : 198
     • Sequential restraints, | i - j | = 1 : 86
       • Backbone-backbone: 46
       • Backbone-side chain: 40
     • Medium range restraints, 1 < | i - j | < 5 : 10
       • Backbone-backbone: 5
       • Side chain-side chain: 5
     • Long range restraints, | i - j | >= 5 : 29
   • Weight of restraints: 1.0 (323)
     • Intra-residue restraints, i = j : 1.0 (198)
     • Sequential restraints, | i - j | = 1 : 1.0 (86)
       • Backbone-backbone: 1.0 (46)
       • Backbone-side chain: 1.0 (40)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (10)
       • Backbone-backbone: 1.0 (5)
       • Side chain-side chain: 1.0 (5)
     • Long range restraints, | i - j | >= 5 : 1.0 (29)
   • Potential type of restraints: square-well-parabolic (323)
     • Intra-residue restraints, i = j : square-well-parabolic (198)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (86)
       • Backbone-backbone: square-well-parabolic (46)
       • Backbone-side chain: square-well-parabolic (40)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (10)
       • Backbone-backbone: square-well-parabolic (5)
       • Side chain-side chain: square-well-parabolic (5)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (29)
   • Range of distance target values: 2.25, 3.9 (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