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

0--------10--------20 
.ESAKHMFDRIGKDVYDKVKE 
 |||||||||||||||||||| 
XESAKHMFDRIGKDVYDKVKEX
--------10--------20--

Chain assignments

Content subtype: combined_25206_2mud.nef

Assigned chemical shifts

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

     --------10--------20
     ESAKHMFDRIGKDVYDKVKE
     ||||||||||||||||||||
     ESAKHMFDRIGKDVYDKVKE
     

   • Total number of assignments
     • ¹H chemical shifts: 95
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	130	95	73.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	41	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	89	54	60.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	7	87.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	10	90.9

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

Covalent bonds

1. Saveframe: assembly
   • Status: Error

Distance restraints

1. Saveframe: Discover_distance_constraints_5
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

     --------10--------20
     ESAKHMFDRIGKDVYDKVKE
     ||||||||||||||||||||
     ESAKHMFDRIGKDVYDKVKE
     

   • Total number of restraints: 271
     • Intra-residue restraints, i = j : 137
     • Sequential restraints, | i - j | = 1 : 60
       • Backbone-backbone: 33
       • Backbone-side chain: 27
     • Medium range restraints, 1 < | i - j | < 5 : 74
       • Backbone-backbone: 45
       • Backbone-side chain: 29
   • Weight of restraints: 1.0 (271)
     • Intra-residue restraints, i = j : 1.0 (137)
     • Sequential restraints, | i - j | = 1 : 1.0 (60)
       • Backbone-backbone: 1.0 (33)
       • Backbone-side chain: 1.0 (27)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (74)
       • Backbone-backbone: 1.0 (45)
       • Backbone-side chain: 1.0 (29)
   • Potential type of restraints: square-well-parabolic (271)
     • Intra-residue restraints, i = j : square-well-parabolic (137)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (60)
       • Backbone-backbone: square-well-parabolic (33)
       • Backbone-side chain: square-well-parabolic (27)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (74)
       • Backbone-backbone: square-well-parabolic (45)
       • Backbone-side chain: square-well-parabolic (29)
   • Range of distance target values: 2.3, 5.25 (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
   • Saveframe: Discover_distance_constraints_4
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 35.0%
     • Total number of restraints: 5
       • Total hydrogen bond restraints: 5
         • O...H-x: 5
     • Weight of restraints: 1.0 (5)
       • Total hydrogen bond restraints: 1.0 (5)
         • O...H-x: 1.0 (5)
     • Potential type of restraints: square-well-parabolic (5)
       • Total hydrogen bond restraints: square-well-parabolic (5)
         • O...H-x: square-well-parabolic (5)
     • Range of distance target values: 2.15, 2.15 (Å)
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: Discover_dihedral_6
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

     --------10--------20
     ESAKHMFDRIGKDVYDKVKE
     ||||||||||||||||||||
     ESAKHMFDRIGKDVYDKVKE
     

   • Total number of restraints: 22
     • Omega angle constraints: 19
     • Undefined angle constraints: 3
   • Total number of restraints per polymer type: 22
     • Protein: 22
   • Weight of restraints: 1.0 (22)
     • Omega angle constraints: 1.0 (19)
     • Undefined angle constraints: 1.0 (3)
   • Potential type of restraints: square-well-parabolic (22)
     • Omega angle constraints: square-well-parabolic (19)
     • Undefined angle constraints: square-well-parabolic (3)
   • Dihedral angle restraints per residue
     • Chain_ID: A