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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DAYAQWLKDGGPSSGRPPPS
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DAYAQWLKDGGPSSGRPPPS

Chain assignments

Content subtype: combined_15169_2jof.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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     DAYAQWLKDGGPSSGRPPPS
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     DAYAQWLKDGGPSSGRPPPS
     

   • Total number of assignments
     • ¹H chemical shifts: 101
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	115	101	87.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	39	35	89.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	76	66	86.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	100.0

       • 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

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: 20, Sequence coverage: 100.0%

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     DAYAQWLKDGGPSSGRPPPS
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     DAYAQWLKDGGPSSGRPPPS
     

   • Total number of restraints: 215
     • Intra-residue restraints, i = j : 102
     • Sequential restraints, | i - j | = 1 : 58
       • Backbone-backbone: 24
       • Backbone-side chain: 26
       • Side chain-side chain: 8
     • Medium range restraints, 1 < | i - j | < 5 : 21
       • Backbone-backbone: 8
       • Backbone-side chain: 9
       • Side chain-side chain: 4
     • Long range restraints, | i - j | >= 5 : 34
   • Weight of restraints: 1.0 (215)
     • Intra-residue restraints, i = j : 1.0 (102)
     • Sequential restraints, | i - j | = 1 : 1.0 (58)
       • Backbone-backbone: 1.0 (24)
       • Backbone-side chain: 1.0 (26)
       • Side chain-side chain: 1.0 (8)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (21)
       • Backbone-backbone: 1.0 (8)
       • Backbone-side chain: 1.0 (9)
       • Side chain-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (34)
   • Potential type of restraints: square-well-parabolic (215)
     • Intra-residue restraints, i = j : square-well-parabolic (102)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (58)
       • Backbone-backbone: square-well-parabolic (24)
       • Backbone-side chain: square-well-parabolic (26)
       • Side chain-side chain: square-well-parabolic (8)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (21)
       • Backbone-backbone: square-well-parabolic (8)
       • Backbone-side chain: square-well-parabolic (9)
       • Side chain-side chain: square-well-parabolic (4)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (34)
   • Range of distance target values: 2.16, 5.1 (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