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-------
GIGGVLLSAGKAALKGLAKVLAEKYAN
|||||||||||||||||||||||||||
GIGGVLLSAGKAALKGLAKVLAEKYAN

Chain assignments

Content subtype: combined_19658_2mhw.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 100.0%

     --------10--------20-------
     GIGGVLLSAGKAALKGLAKVLAEKYAN
     |||||||||||||||||||||||||||
     GIGGVLLSAGKAALKGLAKVLAEKYAN
     

   • 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	149	144	96.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	59	58	98.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	90	86	95.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	22	22	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	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_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 100.0%

     --------10--------20-------
     GIGGVLLSAGKAALKGLAKVLAEKYAN
     |||||||||||||||||||||||||||
     GIGGVLLSAGKAALKGLAKVLAEKYAN
     

   • Total number of restraints: 351
     • Intra-residue restraints, i = j : 151
     • Sequential restraints, | i - j | = 1 : 108
       • Backbone-backbone: 29
       • Backbone-side chain: 47
       • Side chain-side chain: 32
     • Medium range restraints, 1 < | i - j | < 5 : 88
       • Backbone-backbone: 21
       • Backbone-side chain: 33
       • Side chain-side chain: 34
     • Long range restraints, | i - j | >= 5 : 4
   • Weight of restraints: 1.0 (351)
     • Intra-residue restraints, i = j : 1.0 (151)
     • Sequential restraints, | i - j | = 1 : 1.0 (108)
       • Backbone-backbone: 1.0 (29)
       • Backbone-side chain: 1.0 (47)
       • Side chain-side chain: 1.0 (32)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (88)
       • Backbone-backbone: 1.0 (21)
       • Backbone-side chain: 1.0 (33)
       • Side chain-side chain: 1.0 (34)
     • Long range restraints, | i - j | >= 5 : 1.0 (4)
   • Potential type of restraints: square-well-parabolic (351)
     • Intra-residue restraints, i = j : square-well-parabolic (151)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (108)
       • Backbone-backbone: square-well-parabolic (29)
       • Backbone-side chain: square-well-parabolic (47)
       • Side chain-side chain: square-well-parabolic (32)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (88)
       • Backbone-backbone: square-well-parabolic (21)
       • Backbone-side chain: square-well-parabolic (33)
       • Side chain-side chain: square-well-parabolic (34)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (4)
   • Range of distance target values: 1.61, 4.95 (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