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

--------10--------20
SDTRYNKDFINNKLLNEHAH
||||||||||||||||||||
SDTRYNKDFINNKLLNEHAH

Chain assignments

Content subtype: combined_30292_5vr5.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%

     --------10--------20
     SDTRYNKDFINNKLLNEHAH
     ||||||||||||||||||||
     SDTRYNKDFINNKLLNEHAH
     

   • Total number of assignments
     • ¹H chemical shifts: 128
   • 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	7.32
         4	ARG	HH12	7.32

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	128	125	97.7

       • 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	88	86	97.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	8	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	12	92.3

   • 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%

     --------10--------20
     SDTRYNKDFINNKLLNEHAH
     ||||||||||||||||||||
     SDTRYNKDFINNKLLNEHAH
     

   • Total number of restraints: 248
     • Intra-residue restraints, i = j : 185
     • Sequential restraints, | i - j | = 1 : 37
       • Backbone-backbone: 37
     • Medium range restraints, 1 < | i - j | < 5 : 26
       • Backbone-backbone: 20
       • Backbone-side chain: 6
   • Weight of restraints: 1.0 (248)
     • Intra-residue restraints, i = j : 1.0 (185)
     • Sequential restraints, | i - j | = 1 : 1.0 (37)
       • Backbone-backbone: 1.0 (37)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (26)
       • Backbone-backbone: 1.0 (20)
       • Backbone-side chain: 1.0 (6)
   • Potential type of restraints: square-well-parabolic (248)
     • Intra-residue restraints, i = j : square-well-parabolic (185)
     • 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 (26)
       • Backbone-backbone: square-well-parabolic (20)
       • Backbone-side chain: square-well-parabolic (6)
   • 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
   • Saveframe: Discover_distance_constraints_3
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 20.0%
     • Total number of restraints: 2
       • Total hydrogen bond restraints: 2
         • O...H-x: 2
     • Weight of restraints: 1.0 (2)
       • Total hydrogen bond restraints: 1.0 (2)
         • O...H-x: 1.0 (2)
     • Potential type of restraints: square-well-parabolic (2)
       • Total hydrogen bond restraints: square-well-parabolic (2)
         • O...H-x: square-well-parabolic (2)
     • 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_5
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

     --------10--------20
     SDTRYNKDFINNKLLNEHAH
     ||||||||||||||||||||
     SDTRYNKDFINNKLLNEHAH
     

   • 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