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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KWFRVYRGIYRRR

Chain assignments

Content subtype: combined_18102_2lm8.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 13, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 86
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         11	ARG	HH11	7.135
         13	ARG	HH11	7.668
         13	ARG	HH12	7.668

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	105	79	75.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	27	26	96.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	78	53	67.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	3	75.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	8	42.1

   • 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: 13, Sequence coverage: 100.0%

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   • Total number of restraints: 173
     • Intra-residue restraints, i = j : 55
     • Sequential restraints, | i - j | = 1 : 66
       • Backbone-backbone: 22
       • Backbone-side chain: 40
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 19
       • Backbone-backbone: 5
       • Backbone-side chain: 10
       • Side chain-side chain: 4
     • Long range restraints, | i - j | >= 5 : 33
   • Weight of restraints: 1.0 (173)
     • Intra-residue restraints, i = j : 1.0 (55)
     • Sequential restraints, | i - j | = 1 : 1.0 (66)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (40)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (19)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (10)
       • Side chain-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (33)
   • Potential type of restraints: upper-bound-parabolic (173)
     • Intra-residue restraints, i = j : upper-bound-parabolic (55)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (66)
       • Backbone-backbone: upper-bound-parabolic (22)
       • Backbone-side chain: upper-bound-parabolic (40)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (19)
       • Backbone-backbone: upper-bound-parabolic (5)
       • Backbone-side chain: upper-bound-parabolic (10)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (33)
   • 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