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-------
WKLLSKAQEKFGKNKSR
|||||||||||||||||
WKLLSKAQEKFGKNKSR

Chain assignments

Content subtype: combined_19468_2md1.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

     --------10-------
     WKLLSKAQEKFGKNKSR
     |||||||||||||||||
     WKLLSKAQEKFGKNKSR
     

   • Total number of assignments
     • ¹H chemical shifts: 90
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	126	89	70.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	35	34	97.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	91	55	60.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	5	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	0	0.0

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

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

     --------10-------
     WKLLSKAQEKFGKNKSR
     |||||||||||||||||
     WKLLSKAQEKFGKNKSR
     

   • Total number of restraints: 229
     • Intra-residue restraints, i = j : 69
     • Sequential restraints, | i - j | = 1 : 73
       • Backbone-backbone: 30
       • Backbone-side chain: 39
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 87
       • Backbone-backbone: 18
       • Backbone-side chain: 31
       • Side chain-side chain: 38
   • Weight of restraints: 1.0 (229)
     • Intra-residue restraints, i = j : 1.0 (69)
     • Sequential restraints, | i - j | = 1 : 1.0 (73)
       • Backbone-backbone: 1.0 (30)
       • Backbone-side chain: 1.0 (39)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (87)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (31)
       • Side chain-side chain: 1.0 (38)
   • Potential type of restraints: upper-bound-parabolic (229)
     • Intra-residue restraints, i = j : upper-bound-parabolic (69)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (73)
       • Backbone-backbone: upper-bound-parabolic (30)
       • Backbone-side chain: upper-bound-parabolic (39)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (87)
       • Backbone-backbone: upper-bound-parabolic (18)
       • Backbone-side chain: upper-bound-parabolic (31)
       • Side chain-side chain: upper-bound-parabolic (38)
   • Range of distance target values: 2.8, 5.0 (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: DYANA/DIANA_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

     --------10-------
     WKLLSKAQEKFGKNKSR
     |||||||||||||||||
     WKLLSKAQEKFGKNKSR
     

   • Total number of restraints: 32
     • Psi angle constraints: 16
     • Phi angle constraints: 16
   • Total number of restraints per polymer type: 32
     • Protein: 32
   • Weight of restraints: 1.0 (32)
     • Psi angle constraints: 1.0 (16)
     • Phi angle constraints: 1.0 (16)
   • Potential type of restraints: square-well-parabolic (32)
     • Psi angle constraints: square-well-parabolic (16)
     • Phi angle constraints: square-well-parabolic (16)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A