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

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XAYAQWLADXGPASXXPPPSX
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XAYAQWLADXGPASXXPPPSX

Chain assignments

Content subtype: combined_30453_6d37.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 90.5%

     --------10--------20-
     XAYAQWLADXGPASXXPPPSX
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     .AYAQWLADXGPASX.PPPSX
     

   • Total number of assignments
     • ¹H chemical shifts: 94
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         16	NVA

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	98	94	95.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	32	94.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	64	62	96.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	10	100.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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: 21, Sequence coverage: 81.0%

     --------10--------20-
     XAYAQWLADXGPASXXPPPSX
      |||||||||||||  |||| 
     .AYAQWLADXGPAS..PPPS 
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   • Total number of restraints: 254
     • Intra-residue restraints, i = j : 79
     • Sequential restraints, | i - j | = 1 : 69
       • Backbone-backbone: 20
       • Backbone-side chain: 35
       • Side chain-side chain: 14
     • Medium range restraints, 1 < | i - j | < 5 : 42
       • Backbone-backbone: 15
       • Backbone-side chain: 16
       • Side chain-side chain: 11
     • Long range restraints, | i - j | >= 5 : 63
     • Total hydrogen bond restraints: 1
       • O...h-O: 1
   • Weight of restraints: 1.0 (254)
     • Intra-residue restraints, i = j : 1.0 (79)
     • Sequential restraints, | i - j | = 1 : 1.0 (69)
       • Backbone-backbone: 1.0 (20)
       • Backbone-side chain: 1.0 (35)
       • Side chain-side chain: 1.0 (14)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (42)
       • Backbone-backbone: 1.0 (15)
       • Backbone-side chain: 1.0 (16)
       • Side chain-side chain: 1.0 (11)
     • Long range restraints, | i - j | >= 5 : 1.0 (63)
     • Total hydrogen bond restraints: 1.0 (1)
       • O...h-O: 1.0 (1)
   • Potential type of restraints: square-well-parabolic (254)
     • Intra-residue restraints, i = j : square-well-parabolic (79)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (69)
       • Backbone-backbone: square-well-parabolic (20)
       • Backbone-side chain: square-well-parabolic (35)
       • Side chain-side chain: square-well-parabolic (14)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (42)
       • Backbone-backbone: square-well-parabolic (15)
       • Backbone-side chain: square-well-parabolic (16)
       • Side chain-side chain: square-well-parabolic (11)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (63)
     • Total hydrogen bond restraints: square-well-parabolic (1)
       • O...h-O: square-well-parabolic (1)
   • Range of distance target values: 2.25, 5.5 (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