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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GGVGKIIEYFIGGGVGRYG
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GGVGKIIEYFIGGGVGRYG

Chain assignments

Content subtype: combined_30530_6mw6.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 19, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 107
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         5	LYS	HZ1	7.345
         5	LYS	HZ2	7.345
         5	LYS	HZ3	7.345

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	105	103	98.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	46	45	97.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	59	58	98.3

       • Methyl group atoms

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

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	12	92.3

   • 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: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 19, Sequence coverage: 100.0%

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   • Total number of restraints: 685
     • Intra-residue restraints, i = j : 242
     • Sequential restraints, | i - j | = 1 : 157
       • Backbone-backbone: 47
       • Backbone-side chain: 88
       • Side chain-side chain: 22
     • Medium range restraints, 1 < | i - j | < 5 : 60
       • Backbone-backbone: 2
       • Backbone-side chain: 23
       • Side chain-side chain: 35
     • Long range restraints, | i - j | >= 5 : 226
   • Weight of restraints: 1.0 (685)
     • Intra-residue restraints, i = j : 1.0 (242)
     • Sequential restraints, | i - j | = 1 : 1.0 (157)
       • Backbone-backbone: 1.0 (47)
       • Backbone-side chain: 1.0 (88)
       • Side chain-side chain: 1.0 (22)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (60)
       • Backbone-backbone: 1.0 (2)
       • Backbone-side chain: 1.0 (23)
       • Side chain-side chain: 1.0 (35)
     • Long range restraints, | i - j | >= 5 : 1.0 (226)
   • Potential type of restraints: upper-bound-parabolic (685)
     • Intra-residue restraints, i = j : upper-bound-parabolic (242)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (157)
       • Backbone-backbone: upper-bound-parabolic (47)
       • Backbone-side chain: upper-bound-parabolic (88)
       • Side chain-side chain: upper-bound-parabolic (22)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (60)
       • Backbone-backbone: upper-bound-parabolic (2)
       • Backbone-side chain: upper-bound-parabolic (23)
       • Side chain-side chain: upper-bound-parabolic (35)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (226)
   • Range of distance target values: 2.4, 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