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----
GATAVSEWTEYKTADGKTYYYNNRTLESYWEKPQELK
|||||||||||||||||||||||||||||||||||||
GATAVSEWTEYKTADGKTYYYNNRTLESYWEKPQELK
--------10--------20--------30-------

Chain assignments

Content subtype: combined_25683_2n4w.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----
     GATAVSEWTEYKTADGKTYYYNNRTLESYWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTEYKTADGKTYYYNNRTLESYWEKPQELK
     

   • Total number of assignments
     • ¹H chemical shifts: 218
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         459	LYS	HZ1	6.51
         459	LYS	HZ2	6.51
         459	LYS	HZ3	6.51
         464	LYS	HZ1	7.436
         464	LYS	HZ2	7.436
         464	LYS	HZ3	7.436

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	232	212	91.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	75	74	98.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	157	138	87.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	14	100.0

       • 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----
     GATAVSEWTEYKTADGKTYYYNNRTLESYWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTEYKTADGKTYYYNNRTLESYWEKPQELK
     

   • Total number of restraints: 513
     • Sequential restraints, | i - j | = 1 : 194
       • Backbone-backbone: 56
       • Backbone-side chain: 118
       • Side chain-side chain: 20
     • Medium range restraints, 1 < | i - j | < 5 : 108
       • Backbone-backbone: 12
       • Backbone-side chain: 41
       • Side chain-side chain: 55
     • Long range restraints, | i - j | >= 5 : 211
   • Weight of restraints: 1.0 (513)
     • Sequential restraints, | i - j | = 1 : 1.0 (194)
       • Backbone-backbone: 1.0 (56)
       • Backbone-side chain: 1.0 (118)
       • Side chain-side chain: 1.0 (20)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (108)
       • Backbone-backbone: 1.0 (12)
       • Backbone-side chain: 1.0 (41)
       • Side chain-side chain: 1.0 (55)
     • Long range restraints, | i - j | >= 5 : 1.0 (211)
   • Potential type of restraints: square-well-parabolic (513)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (194)
       • Backbone-backbone: square-well-parabolic (56)
       • Backbone-side chain: square-well-parabolic (118)
       • Side chain-side chain: square-well-parabolic (20)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (108)
       • Backbone-backbone: square-well-parabolic (12)
       • Backbone-side chain: square-well-parabolic (41)
       • Side chain-side chain: square-well-parabolic (55)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (211)
   • Range of distance target values: 2.59, 5.23 (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