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--------50--------60--------70-
MVLRQLSRKASVKVSKTWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQRHSGLTEQTYSALPEPKAT
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MVLRQLSRKASVKVSKTWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQRHSGLTEQTYSALPEPKAT

Chain assignments

Content subtype: combined_34116_5nhq.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 98.6%

     --------10--------20--------30--------40--------50--------60--------70-
     MVLRQLSRKASVKVSKTWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQRHSGLTEQTYSALPEPKAT
     || ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     MV.RQLSRKASVKVSKTWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQRHSGLTEQTYSALPEPKAT
     

   • Total number of assignments
     • ¹H chemical shifts: 387
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	451	387	85.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	144	141	97.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	307	246	80.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	35	85.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	27	15	55.6

   • 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: 71, Sequence coverage: 98.6%

     --------10--------20--------30--------40--------50--------60--------70-
     MVLRQLSRKASVKVSKTWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQRHSGLTEQTYSALPEPKAT
     || ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     MV.RQLSRKASVKVSKTWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQRHSGLTEQTYSALPEPKAT
     

   • Total number of restraints: 714
     • Intra-residue restraints, i = j : 510
     • Sequential restraints, | i - j | = 1 : 163
       • Backbone-backbone: 85
       • Backbone-side chain: 78
     • Medium range restraints, 1 < | i - j | < 5 : 41
       • Backbone-backbone: 21
       • Backbone-side chain: 18
       • Side chain-side chain: 2
   • Weight of restraints: 1.0 (714)
     • Intra-residue restraints, i = j : 1.0 (510)
     • Sequential restraints, | i - j | = 1 : 1.0 (163)
       • Backbone-backbone: 1.0 (85)
       • Backbone-side chain: 1.0 (78)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (41)
       • Backbone-backbone: 1.0 (21)
       • Backbone-side chain: 1.0 (18)
       • Side chain-side chain: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (714)
     • Intra-residue restraints, i = j : square-well-parabolic (510)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (163)
       • Backbone-backbone: square-well-parabolic (85)
       • Backbone-side chain: square-well-parabolic (78)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (41)
       • Backbone-backbone: square-well-parabolic (21)
       • Backbone-side chain: square-well-parabolic (18)
       • Side chain-side chain: square-well-parabolic (2)
   • Range of distance target values: 1.64, 3.59 (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