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----
GATAVSEWTEYKTADGKTYYYNNRTLYSTWEKPQELK
|||||||||||||||||||||||||||||||||||||
GATAVSEWTEYKTADGKTYYYNNRTLYSTWEKPQELK
--------10--------20--------30-------

Chain assignments

Content subtype: combined_25681_2n4u.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----
     GATAVSEWTEYKTADGKTYYYNNRTLYSTWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTEYKTADGKTYYYNNRTLYSTWEKPQELK
     

   • Total number of assignments
     • ¹H chemical shifts: 196
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	230	196	85.2

       • 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	155	123	79.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	32	22	68.8

   • 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----
     GATAVSEWTEYKTADGKTYYYNNRTLYSTWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTEYKTADGKTYYYNNRTLYSTWEKPQELK
     

   • Total number of restraints: 580
     • Sequential restraints, | i - j | = 1 : 205
       • Backbone-backbone: 55
       • Backbone-side chain: 131
       • Side chain-side chain: 19
     • Medium range restraints, 1 < | i - j | < 5 : 117
       • Backbone-backbone: 15
       • Backbone-side chain: 53
       • Side chain-side chain: 49
     • Long range restraints, | i - j | >= 5 : 258
   • Weight of restraints: 1.0 (580)
     • Sequential restraints, | i - j | = 1 : 1.0 (205)
       • Backbone-backbone: 1.0 (55)
       • Backbone-side chain: 1.0 (131)
       • Side chain-side chain: 1.0 (19)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (117)
       • Backbone-backbone: 1.0 (15)
       • Backbone-side chain: 1.0 (53)
       • Side chain-side chain: 1.0 (49)
     • Long range restraints, | i - j | >= 5 : 1.0 (258)
   • Potential type of restraints: square-well-parabolic (580)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (205)
       • Backbone-backbone: square-well-parabolic (55)
       • Backbone-side chain: square-well-parabolic (131)
       • Side chain-side chain: square-well-parabolic (19)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (117)
       • Backbone-backbone: square-well-parabolic (15)
       • Backbone-side chain: square-well-parabolic (53)
       • Side chain-side chain: square-well-parabolic (49)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (258)
   • Range of distance target values: 1.75, 4.62 (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