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

-340-----350--------
SDKEVDEVDAALSDLEITLE
||||||||||||||||||||
SDKEVDEVDAALSDLEITLE
--------10--------20

Chain assignments

Content subtype: combined_25131_2msu.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 95.0%

     -340-----350--------
     SDKEVDEVDAALSDLEITLE
      |||||||||||||||||||
     .DKEVDEVDAALSDLEITLE
     

   • Total number of assignments
     • ¹H chemical shifts: 88
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	106	88	83.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	40	37	92.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	51	77.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	12	80.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 95.0%

     -340-----350--------
     SDKEVDEVDAALSDLEITLE
      |||||||||||||||||||
     .DKEVDEVDAALSDLEITLE
     

   • Total number of restraints: 267
     • Intra-residue restraints, i = j : 79
     • Sequential restraints, | i - j | = 1 : 127
       • Backbone-backbone: 34
       • Backbone-side chain: 74
       • Side chain-side chain: 19
     • Medium range restraints, 1 < | i - j | < 5 : 61
       • Backbone-backbone: 17
       • Backbone-side chain: 33
       • Side chain-side chain: 11
   • Weight of restraints: 1.0 (267)
     • Intra-residue restraints, i = j : 1.0 (79)
     • Sequential restraints, | i - j | = 1 : 1.0 (127)
       • Backbone-backbone: 1.0 (34)
       • Backbone-side chain: 1.0 (74)
       • Side chain-side chain: 1.0 (19)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (61)
       • Backbone-backbone: 1.0 (17)
       • Backbone-side chain: 1.0 (33)
       • Side chain-side chain: 1.0 (11)
   • Potential type of restraints: square-well-parabolic (267)
     • Intra-residue restraints, i = j : square-well-parabolic (79)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (127)
       • Backbone-backbone: square-well-parabolic (34)
       • Backbone-side chain: square-well-parabolic (74)
       • Side chain-side chain: square-well-parabolic (19)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (61)
       • Backbone-backbone: square-well-parabolic (17)
       • Backbone-side chain: square-well-parabolic (33)
       • Side chain-side chain: square-well-parabolic (11)
   • Range of distance target values: 2.35, 4.05 (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