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_30229_5ui6.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 102
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         3	LYS	HZ1	7.31
         3	LYS	HZ2	7.31
         3	LYS	HZ3	7.31

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	105	98	93.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	40	36	90.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	65	62	95.4

       • 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	19	19	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: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 100.0%

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   • Total number of restraints: 217
     • Intra-residue restraints, i = j : 28
     • Sequential restraints, | i - j | = 1 : 68
       • Backbone-backbone: 19
       • Backbone-side chain: 39
       • Side chain-side chain: 9
     • Medium range restraints, 1 < | i - j | < 5 : 32
       • Backbone-backbone: 6
       • Backbone-side chain: 8
       • Side chain-side chain: 18
     • Long range restraints, | i - j | >= 5 : 89
   • Weight of restraints: 1.0 (217)
     • Intra-residue restraints, i = j : 1.0 (28)
     • Sequential restraints, | i - j | = 1 : 1.0 (68)
       • Backbone-backbone: 1.0 (19)
       • Backbone-side chain: 1.0 (39)
       • Side chain-side chain: 1.0 (9)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (32)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (8)
       • Side chain-side chain: 1.0 (18)
     • Long range restraints, | i - j | >= 5 : 1.0 (89)
   • Potential type of restraints: upper-bound-parabolic (217)
     • Intra-residue restraints, i = j : upper-bound-parabolic (28)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (68)
       • Backbone-backbone: upper-bound-parabolic (19)
       • Backbone-side chain: upper-bound-parabolic (39)
       • Side chain-side chain: upper-bound-parabolic (9)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (32)
       • Backbone-backbone: upper-bound-parabolic (6)
       • Backbone-side chain: upper-bound-parabolic (8)
       • Side chain-side chain: upper-bound-parabolic (18)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (89)
   • 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