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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YTNQNINISQERDLQKHGFH
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YTNQNINISQERDLQKHGFH

Chain assignments

Content subtype: combined_25189_2mtw.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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     YTNQNINISQERDLQKHGFH
     

   • Total number of assignments
     • ¹H chemical shifts: 113
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	132	112	84.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	40	97.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	91	72	79.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	5	71.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	8	61.5

   • 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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     YTNQNINISQERDLQKHGFH
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   • Total number of restraints: 305
     • Intra-residue restraints, i = j : 209
     • Sequential restraints, | i - j | = 1 : 58
       • Backbone-backbone: 31
       • Backbone-side chain: 27
     • Medium range restraints, 1 < | i - j | < 5 : 38
       • Backbone-backbone: 18
       • Backbone-side chain: 20
   • Weight of restraints: 1.0 (305)
     • Intra-residue restraints, i = j : 1.0 (209)
     • Sequential restraints, | i - j | = 1 : 1.0 (58)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (27)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (38)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (20)
   • Potential type of restraints: square-well-parabolic (305)
     • Intra-residue restraints, i = j : square-well-parabolic (209)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (58)
       • Backbone-backbone: square-well-parabolic (31)
       • Backbone-side chain: square-well-parabolic (27)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (38)
       • Backbone-backbone: square-well-parabolic (18)
       • Backbone-side chain: square-well-parabolic (20)
   • Range of distance target values: 2.3, 4.3 (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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     YTNQNINISQERDLQKHGFH
     

   • 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