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----
GATAVSEWTEYKTADGKTLYYNNRTLESTWEKPQELK
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GATAVSEWTEYKTADGKTLYYNNRTLESTWEKPQELK
--------10--------20--------30-------

Chain assignments

Content subtype: combined_25310_2mwa.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: 91.9%

     --430-----440-------450-------460----
     GATAVSEWTEYKTADGKTLYYNNRTLESTWEKPQELK
        ||||||||||||||||||||||||||||||||||
     ...AVSEWTEYKTADGKTLYYNNRTLESTWEKPQELK
     

   • 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	HH11	6.581
         451	ARG	HH12	6.581

       • 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	68	90.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	152	126	82.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	13	76.5

       • 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_3
   • 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----
     GATAVSEWTEYKTADGKTLYYNNRTLESTWEKPQELK
     |||||||||||||||||||||||||||||||||||||
     GATAVSEWTEYKTADGKTLYYNNRTLESTWEKPQELK
     

   • Total number of restraints: 300
     • Sequential restraints, | i - j | = 1 : 127
       • Backbone-backbone: 54
       • Backbone-side chain: 67
       • Side chain-side chain: 6
     • Medium range restraints, 1 < | i - j | < 5 : 32
       • Backbone-backbone: 6
       • Backbone-side chain: 12
       • Side chain-side chain: 14
     • Long range restraints, | i - j | >= 5 : 141
   • Weight of restraints: 1.0 (300)
     • Sequential restraints, | i - j | = 1 : 1.0 (127)
       • Backbone-backbone: 1.0 (54)
       • Backbone-side chain: 1.0 (67)
       • Side chain-side chain: 1.0 (6)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (32)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (12)
       • Side chain-side chain: 1.0 (14)
     • Long range restraints, | i - j | >= 5 : 1.0 (141)
   • Potential type of restraints: square-well-parabolic (300)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (127)
       • Backbone-backbone: square-well-parabolic (54)
       • Backbone-side chain: square-well-parabolic (67)
       • Side chain-side chain: square-well-parabolic (6)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (32)
       • Backbone-backbone: square-well-parabolic (6)
       • Backbone-side chain: square-well-parabolic (12)
       • Side chain-side chain: square-well-parabolic (14)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (141)
   • Range of distance target values: 1.75, 5.19 (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