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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NLYIQWLKDXGPSSGRPPPS
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NLYIQWLKDXGPSSGRPPPS

Chain assignments

Content subtype: combined_17669_2ldj.nef

Assigned chemical shifts

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

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     NLYIQWLKDXGPSSGRPPPS
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     NLYIQWLKDXGPSSGRPPPS
     

   • Total number of assignments
     • ¹H chemical shifts: 131
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         10	DGN

       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         8	LYS	HZ1	7.589
         8	LYS	HZ2	7.589
         8	LYS	HZ3	7.589

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	122	118	96.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	36	34	94.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	86	84	97.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	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

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: 20, Sequence coverage: 100.0%

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     NLYIQWLKDXGPSSGRPPPS
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     NLYIQWLKDXGPSSGRPPPS
     

   • Total number of restraints: 793
     • Intra-residue restraints, i = j : 226
     • Sequential restraints, | i - j | = 1 : 173
       • Backbone-backbone: 30
       • Backbone-side chain: 74
       • Side chain-side chain: 69
     • Medium range restraints, 1 < | i - j | < 5 : 187
       • Backbone-backbone: 21
       • Backbone-side chain: 66
       • Side chain-side chain: 100
     • Long range restraints, | i - j | >= 5 : 207
   • Weight of restraints: 1.0 (793)
     • Intra-residue restraints, i = j : 1.0 (226)
     • Sequential restraints, | i - j | = 1 : 1.0 (173)
       • Backbone-backbone: 1.0 (30)
       • Backbone-side chain: 1.0 (74)
       • Side chain-side chain: 1.0 (69)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (187)
       • Backbone-backbone: 1.0 (21)
       • Backbone-side chain: 1.0 (66)
       • Side chain-side chain: 1.0 (100)
     • Long range restraints, | i - j | >= 5 : 1.0 (207)
   • Potential type of restraints: square-well-parabolic (793)
     • Intra-residue restraints, i = j : square-well-parabolic (226)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (173)
       • Backbone-backbone: square-well-parabolic (30)
       • Backbone-side chain: square-well-parabolic (74)
       • Side chain-side chain: square-well-parabolic (69)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (187)
       • Backbone-backbone: square-well-parabolic (21)
       • Backbone-side chain: square-well-parabolic (66)
       • Side chain-side chain: square-well-parabolic (100)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (207)
   • Range of distance target values: 0.47, 7.45 (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