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): X vs Auth_asym_ID (model): X

Chain assignments

Content subtype: combined_17442_2l9a.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: X, Chain length: 24, Sequence coverage: 100.0%

     --------10--------20----
     KKLKLALAKLAPLWKALALKLKKA
     ||||||||||||||||||||||||
     KKLKLALAKLAPLWKALALKLKKA
     

   • Total number of assignments
     • ¹H chemical shifts: 49
   • Completeness of assignments
     • Entity_assemble_ID: X
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	171	48	28.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	47	46	97.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	124	2	1.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	22	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	0	0.0

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

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: X, Chain length: 24, Sequence coverage: 100.0%

     --------10--------20----
     KKLKLALAKLAPLWKALALKLKKA
     ||||||||||||||||||||||||
     KKLKLALAKLAPLWKALALKLKKA
     

   • Total number of restraints: 81
     • Intra-residue restraints, i = j : 23
     • Sequential restraints, | i - j | = 1 : 30
       • Backbone-backbone: 28
       • Backbone-side chain: 2
     • Medium range restraints, 1 < | i - j | < 5 : 27
       • Backbone-backbone: 27
     • Long range restraints, | i - j | >= 5 : 1
   • Weight of restraints: 1.0 (81)
     • Intra-residue restraints, i = j : 1.0 (23)
     • Sequential restraints, | i - j | = 1 : 1.0 (30)
       • Backbone-backbone: 1.0 (28)
       • Backbone-side chain: 1.0 (2)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (27)
       • Backbone-backbone: 1.0 (27)
     • Long range restraints, | i - j | >= 5 : 1.0 (1)
   • Potential type of restraints: square-well-parabolic (81)
     • Intra-residue restraints, i = j : square-well-parabolic (23)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (30)
       • Backbone-backbone: square-well-parabolic (28)
       • Backbone-side chain: square-well-parabolic (2)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (27)
       • Backbone-backbone: square-well-parabolic (27)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (1)
   • Range of distance target values: 2.24, 4.08 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: X
   • Distance restraints on contact map
     • Chain_ID_1: X - Chain_ID_2: X