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

--430-----440-------450-------460----
GATAVSEWTEYKTADGKTYYYNNRTEESTWEKPQELK
|||||||||||||||||||||||||||||||||||||
GATAVSEWTEYKTADGKTYYYNNRTEESTWEKPQELK
--------10--------20--------30-------

Chain assignments

Content subtype: combined_25679_2n4s.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 100.0%

     --430-----440-------450-------460----
     GATAVSEWTEYKTADGKTYYYNNRTEESTWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTEYKTADGKTYYYNNRTEESTWEKPQELK
     

   • Total number of assignments
     • ¹H chemical shifts: 196
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         451	ARG	HH21	6.584

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	227	194	85.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	75	73	97.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	152	121	79.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	28	21	75.0

   • 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: 37, Sequence coverage: 100.0%

     --430-----440-------450-------460----
     GATAVSEWTEYKTADGKTYYYNNRTEESTWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTEYKTADGKTYYYNNRTEESTWEKPQELK
     

   • Total number of restraints: 518
     • Sequential restraints, | i - j | = 1 : 174
       • Backbone-backbone: 54
       • Backbone-side chain: 103
       • Side chain-side chain: 17
     • Medium range restraints, 1 < | i - j | < 5 : 87
       • Backbone-backbone: 14
       • Backbone-side chain: 32
       • Side chain-side chain: 41
     • Long range restraints, | i - j | >= 5 : 257
   • Weight of restraints: 1.0 (518)
     • Sequential restraints, | i - j | = 1 : 1.0 (174)
       • Backbone-backbone: 1.0 (54)
       • Backbone-side chain: 1.0 (103)
       • Side chain-side chain: 1.0 (17)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (87)
       • Backbone-backbone: 1.0 (14)
       • Backbone-side chain: 1.0 (32)
       • Side chain-side chain: 1.0 (41)
     • Long range restraints, | i - j | >= 5 : 1.0 (257)
   • Potential type of restraints: square-well-parabolic (518)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (174)
       • Backbone-backbone: square-well-parabolic (54)
       • Backbone-side chain: square-well-parabolic (103)
       • Side chain-side chain: square-well-parabolic (17)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (87)
       • Backbone-backbone: square-well-parabolic (14)
       • Backbone-side chain: square-well-parabolic (32)
       • Side chain-side chain: square-well-parabolic (41)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (257)
   • Range of distance target values: 1.75, 4.55 (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