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

--------10--------20--------30--------40--
GKIPVKAIKQAGKVIGKGLRAINIAGTTHDVVSFFRPKKKKH
||||||||||||||||||||||||||||||||||||||||||
GKIPVKAIKQAGKVIGKGLRAINIAGTTHDVVSFFRPKKKKH

Chain assignments

Content subtype: combined_15323_2jr8.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 42, Sequence coverage: 97.6%

     --------10--------20--------30--------40--
     GKIPVKAIKQAGKVIGKGLRAINIAGTTHDVVSFFRPKKKKH
      |||||||||||||||||||||||||||||||||||||||||
     .KIPVKAIKQAGKVIGKGLRAINIAGTTHDVVSFFRPKKKKH
     

   • Total number of assignments
     • ¹H chemical shifts: 211
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	271	211	77.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	87	83	95.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	184	128	69.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	26	26	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	10	71.4

   • 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: 42, Sequence coverage: 97.6%

     --------10--------20--------30--------40--
     GKIPVKAIKQAGKVIGKGLRAINIAGTTHDVVSFFRPKKKKH
      |||||||||||||||||||||||||||||||||||||||||
     .KIPVKAIKQAGKVIGKGLRAINIAGTTHDVVSFFRPKKKKH
     

   • Total number of restraints: 307
     • Intra-residue restraints, i = j : 93
     • Sequential restraints, | i - j | = 1 : 111
       • Backbone-backbone: 64
       • Backbone-side chain: 43
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 103
       • Backbone-backbone: 53
       • Backbone-side chain: 48
       • Side chain-side chain: 2
   • Weight of restraints: 1.0 (307)
     • Intra-residue restraints, i = j : 1.0 (93)
     • Sequential restraints, | i - j | = 1 : 1.0 (111)
       • Backbone-backbone: 1.0 (64)
       • Backbone-side chain: 1.0 (43)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (103)
       • Backbone-backbone: 1.0 (53)
       • Backbone-side chain: 1.0 (48)
       • Side chain-side chain: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (307)
     • Intra-residue restraints, i = j : square-well-parabolic (93)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (111)
       • Backbone-backbone: square-well-parabolic (64)
       • Backbone-side chain: square-well-parabolic (43)
       • Side chain-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (103)
       • Backbone-backbone: square-well-parabolic (53)
       • Backbone-side chain: square-well-parabolic (48)
       • Side chain-side chain: square-well-parabolic (2)
   • Range of distance target values: 2.45, 3.9 (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