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----
GATAVSEWTERKTADGKTYYYNNRTLESTWEKPQELK
|||||||||||||||||||||||||||||||||||||
GATAVSEWTERKTADGKTYYYNNRTLESTWEKPQELK
--------10--------20--------30-------

Chain assignments

Content subtype: combined_25309_2mw9.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: 89.2%

     --430-----440-------450-------460----
     GATAVSEWTERKTADGKTYYYNNRTLESTWEKPQELK
         |||||||||||||||||||||||||||||||||
     ....VSEWTERKTADGKTYYYNNRTLESTWEKPQELK
     

   • Total number of assignments
     • ¹H chemical shifts: 194
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         451	ARG	HH11	6.582
         451	ARG	HH12	6.582

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	229	192	83.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	75	66	88.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	154	126	81.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	12	80.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	24	18	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----
     GATAVSEWTERKTADGKTYYYNNRTLESTWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTERKTADGKTYYYNNRTLESTWEKPQELK
     

   • Total number of restraints: 267
     • Sequential restraints, | i - j | = 1 : 103
       • Backbone-backbone: 46
       • Backbone-side chain: 53
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 35
       • Backbone-backbone: 6
       • Backbone-side chain: 14
       • Side chain-side chain: 15
     • Long range restraints, | i - j | >= 5 : 129
   • Weight of restraints: 1.0 (267)
     • Sequential restraints, | i - j | = 1 : 1.0 (103)
       • Backbone-backbone: 1.0 (46)
       • Backbone-side chain: 1.0 (53)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (35)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (14)
       • Side chain-side chain: 1.0 (15)
     • Long range restraints, | i - j | >= 5 : 1.0 (129)
   • Potential type of restraints: square-well-parabolic (267)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (103)
       • Backbone-backbone: square-well-parabolic (46)
       • Backbone-side chain: square-well-parabolic (53)
       • Side chain-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (35)
       • Backbone-backbone: square-well-parabolic (6)
       • Backbone-side chain: square-well-parabolic (14)
       • Side chain-side chain: square-well-parabolic (15)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (129)
   • Range of distance target values: 1.75, 4.23 (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