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_18408_2ls2.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 133
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         25	LYS	HZ1	7.236
         25	LYS	HZ2	7.236
         25	LYS	HZ3	7.236

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	146	130	89.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	53	52	98.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	93	78	83.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	16	88.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	7	36.8

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 100.0%

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   • Total number of restraints: 316
     • Intra-residue restraints, i = j : 101
     • Sequential restraints, | i - j | = 1 : 93
       • Backbone-backbone: 26
       • Backbone-side chain: 51
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 122
       • Backbone-backbone: 33
       • Backbone-side chain: 54
       • Side chain-side chain: 35
   • Weight of restraints: 1.0 (316)
     • Intra-residue restraints, i = j : 1.0 (101)
     • Sequential restraints, | i - j | = 1 : 1.0 (93)
       • Backbone-backbone: 1.0 (26)
       • Backbone-side chain: 1.0 (51)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (122)
       • Backbone-backbone: 1.0 (33)
       • Backbone-side chain: 1.0 (54)
       • Side chain-side chain: 1.0 (35)
   • Potential type of restraints: upper-bound-parabolic (316)
     • Intra-residue restraints, i = j : upper-bound-parabolic (101)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (93)
       • Backbone-backbone: upper-bound-parabolic (26)
       • Backbone-side chain: upper-bound-parabolic (51)
       • Side chain-side chain: upper-bound-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (122)
       • Backbone-backbone: upper-bound-parabolic (33)
       • Backbone-side chain: upper-bound-parabolic (54)
       • Side chain-side chain: upper-bound-parabolic (35)
   • Range of distance target values: 2.73, 6.26 (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