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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KSMINAYLDKLDLETVRKIH
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Chain assignments

Content subtype: combined_25200_2mu6.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 129
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         17	ARG	HH11	7.25
         17	ARG	HH12	7.25
         20	HIS	HE2	8.2

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	131	125	95.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	40	39	97.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	91	86	94.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	12	80.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	5	83.3

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Distance restraints

1. Saveframe: Discover_distance_constraints_4
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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   • Total number of restraints: 213
     • Intra-residue restraints, i = j : 147
     • Sequential restraints, | i - j | = 1 : 46
       • Backbone-backbone: 37
       • Backbone-side chain: 9
     • Medium range restraints, 1 < | i - j | < 5 : 20
       • Backbone-backbone: 20
   • Weight of restraints: 1.0 (213)
     • Intra-residue restraints, i = j : 1.0 (147)
     • Sequential restraints, | i - j | = 1 : 1.0 (46)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (9)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (20)
       • Backbone-backbone: 1.0 (20)
   • Potential type of restraints: square-well-parabolic (213)
     • Intra-residue restraints, i = j : square-well-parabolic (147)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (46)
       • Backbone-backbone: square-well-parabolic (37)
       • Backbone-side chain: square-well-parabolic (9)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (20)
       • Backbone-backbone: square-well-parabolic (20)
   • Range of distance target values: 2.3, 4.35 (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

Dihedral angle restraints

1. Saveframe: Discover_dihedral_5
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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   • Total number of restraints: 19
     • Omega angle constraints: 19
   • Total number of restraints per polymer type: 19
     • Protein: 19
   • Weight of restraints: 1.0 (19)
     • Omega angle constraints: 1.0 (19)
   • Potential type of restraints: square-well-parabolic (19)
     • Omega angle constraints: square-well-parabolic (19)
   • Dihedral angle restraints per residue
     • Chain_ID: A