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----
GATAVSEWTEYKTADGKTYYYNNRTWESTWEKPQELK
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GATAVSEWTEYKTADGKTYYYNNRTWESTWEKPQELK
--------10--------20--------30-------

Chain assignments

Content subtype: combined_25680_2n4t.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----
     GATAVSEWTEYKTADGKTYYYNNRTWESTWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTEYKTADGKTYYYNNRTWESTWEKPQELK
     

   • Total number of assignments
     • ¹H chemical shifts: 207
   • 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	6.521

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	231	205	88.7

       • 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	156	132	84.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	13	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	26	76.5

   • 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: 37, Sequence coverage: 100.0%

     --430-----440-------450-------460----
     GATAVSEWTEYKTADGKTYYYNNRTWESTWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTEYKTADGKTYYYNNRTWESTWEKPQELK
     

   • Total number of restraints: 452
     • Sequential restraints, | i - j | = 1 : 150
       • Backbone-backbone: 49
       • Backbone-side chain: 85
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 98
       • Backbone-backbone: 11
       • Backbone-side chain: 40
       • Side chain-side chain: 47
     • Long range restraints, | i - j | >= 5 : 204
   • Weight of restraints: 1.0 (452)
     • Sequential restraints, | i - j | = 1 : 1.0 (150)
       • Backbone-backbone: 1.0 (49)
       • Backbone-side chain: 1.0 (85)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (98)
       • Backbone-backbone: 1.0 (11)
       • Backbone-side chain: 1.0 (40)
       • Side chain-side chain: 1.0 (47)
     • Long range restraints, | i - j | >= 5 : 1.0 (204)
   • Potential type of restraints: square-well-parabolic (452)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (150)
       • Backbone-backbone: square-well-parabolic (49)
       • Backbone-side chain: square-well-parabolic (85)
       • Side chain-side chain: square-well-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (98)
       • Backbone-backbone: square-well-parabolic (11)
       • Backbone-side chain: square-well-parabolic (40)
       • Side chain-side chain: square-well-parabolic (47)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (204)
   • Range of distance target values: 1.75, 4.54 (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