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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GSRRFRFXPKIIFNQR

Chain assignments

Content subtype: combined_30490_6dze.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 92
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         8	DPR

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	115	86	74.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	30	29	96.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	85	57	67.1

       • 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	15	0	0.0

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 87.5%

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   • Total number of restraints: 199
     • Intra-residue restraints, i = j : 118
     • Sequential restraints, | i - j | = 1 : 38
       • Backbone-backbone: 16
       • Backbone-side chain: 21
       • Side chain-side chain: 1
     • Medium range restraints, 1 < | i - j | < 5 : 20
       • Backbone-backbone: 3
       • Backbone-side chain: 2
       • Side chain-side chain: 15
     • Long range restraints, | i - j | >= 5 : 19
     • Total hydrogen bond restraints: 4
       • O...H-x: 2
       • Long range: 2
         • O...H-x: 2
   • Weight of restraints: 1.0 (199)
     • Intra-residue restraints, i = j : 1.0 (118)
     • Sequential restraints, | i - j | = 1 : 1.0 (38)
       • Backbone-backbone: 1.0 (16)
       • Backbone-side chain: 1.0 (21)
       • Side chain-side chain: 1.0 (1)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (20)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (2)
       • Side chain-side chain: 1.0 (15)
     • Long range restraints, | i - j | >= 5 : 1.0 (19)
     • Total hydrogen bond restraints: 1.0 (4)
       • O...H-x: 1.0 (2)
       • Long range: 1.0 (2)
         • O...H-x: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (199)
     • Intra-residue restraints, i = j : square-well-parabolic (118)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (38)
       • Backbone-backbone: square-well-parabolic (16)
       • Backbone-side chain: square-well-parabolic (21)
       • Side chain-side chain: square-well-parabolic (1)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (20)
       • Backbone-backbone: square-well-parabolic (3)
       • Backbone-side chain: square-well-parabolic (2)
       • Side chain-side chain: square-well-parabolic (15)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (19)
     • Total hydrogen bond restraints: square-well-parabolic (4)
       • O...H-x: square-well-parabolic (2)
       • Long range: square-well-parabolic (2)
         • O...H-x: square-well-parabolic (2)
   • Range of distance target values: 2.0, 4.5 (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