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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SDTRYNKDFINNKHLNEHAH
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SDTRYNKDFINNKHLNEHAH

Chain assignments

Content subtype: combined_30248_5uy2.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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     SDTRYNKDFINNKHLNEHAH
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     SDTRYNKDFINNKHLNEHAH
     

   • Total number of assignments
     • ¹H chemical shifts: 127
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         4	ARG	HH11	6.98
         4	ARG	HH12	6.98
         14	HIS	HE2	7.45
         18	HIS	HE2	8.0
         20	HIS	HE2	8.2

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	127	121	95.3

       • 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	87	82	94.3

       • 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	15	11	73.3

   • 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_3
   • 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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     SDTRYNKDFINNKHLNEHAH
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     SDTRYNKDFINNKHLNEHAH
     

   • Total number of restraints: 256
     • Intra-residue restraints, i = j : 183
     • Sequential restraints, | i - j | = 1 : 37
       • Backbone-backbone: 37
     • Medium range restraints, 1 < | i - j | < 5 : 32
       • Backbone-backbone: 23
       • Backbone-side chain: 9
     • Total hydrogen bond restraints: 4
       • O...H-x: 4
   • Weight of restraints: 1.0 (256)
     • Intra-residue restraints, i = j : 1.0 (183)
     • Sequential restraints, | i - j | = 1 : 1.0 (37)
       • Backbone-backbone: 1.0 (37)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (32)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (9)
     • Total hydrogen bond restraints: 1.0 (4)
       • O...H-x: 1.0 (4)
   • Potential type of restraints: square-well-parabolic (256)
     • Intra-residue restraints, i = j : square-well-parabolic (183)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (37)
       • Backbone-backbone: square-well-parabolic (37)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (32)
       • Backbone-backbone: square-well-parabolic (23)
       • Backbone-side chain: square-well-parabolic (9)
     • Total hydrogen bond restraints: square-well-parabolic (4)
       • O...H-x: square-well-parabolic (4)
   • Range of distance target values: 2.15, 5.15 (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_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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     SDTRYNKDFINNKHLNEHAH
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     SDTRYNKDFINNKHLNEHAH
     

   • 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