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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Chain assignments

Content subtype: combined_30188_5tj1.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: 121
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         6	ARG	HH11	6.76
         6	ARG	HH12	6.76
         6	ARG	HH21	6.71
         6	ARG	HH22	6.71
         17	LYS	HZ1	7.44
         17	LYS	HZ2	7.44
         17	LYS	HZ3	7.44

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	114	114	100.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	39	39	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	75	75	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	9	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	5	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: DYANA/DIANA_distance_constraints_2
   • Status: Warning
   • 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: 381
     • Intra-residue restraints, i = j : 183
     • Sequential restraints, | i - j | = 1 : 78
       • Backbone-backbone: 22
       • Backbone-side chain: 38
       • Side chain-side chain: 17
     • Medium range restraints, 1 < | i - j | < 5 : 31
       • Backbone-backbone: 3
       • Backbone-side chain: 12
       • Side chain-side chain: 16
     • Long range restraints, | i - j | >= 5 : 89
   • Weight of restraints: 1.0 (381)
     • Intra-residue restraints, i = j : 1.0 (183)
     • Sequential restraints, | i - j | = 1 : 1.0 (78)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (38)
       • Side chain-side chain: 1.0 (17)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (31)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (12)
       • Side chain-side chain: 1.0 (16)
     • Long range restraints, | i - j | >= 5 : 1.0 (89)
   • Potential type of restraints: upper-bound-parabolic (381)
     • Intra-residue restraints, i = j : upper-bound-parabolic (183)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (78)
       • Backbone-backbone: upper-bound-parabolic (22)
       • Backbone-side chain: upper-bound-parabolic (38)
       • Side chain-side chain: upper-bound-parabolic (17)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (31)
       • Backbone-backbone: upper-bound-parabolic (3)
       • Backbone-side chain: upper-bound-parabolic (12)
       • Side chain-side chain: upper-bound-parabolic (16)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (89)
   • Range of distance target values: 2.25, 11.06 (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