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----
WWWKYEITTIHNLFRKLTHRLFRR
||||||||||||||||||||||||
WWWKYEITTIHNLFRKLTHRLFRR

Chain assignments

Content subtype: combined_26038_2ncw.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 100.0%

     --------10--------20----
     WWWKYEITTIHNLFRKLTHRLFRR
     ||||||||||||||||||||||||
     WWWKYEITTIHNLFRKLTHRLFRR
     

   • Total number of assignments
     • ¹H chemical shifts: 163
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	183	155	84.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	48	46	95.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	135	109	80.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	13	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	36	18	50.0

   • 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_4
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 100.0%

     --------10--------20----
     WWWKYEITTIHNLFRKLTHRLFRR
     ||||||||||||||||||||||||
     WWWKYEITTIHNLFRKLTHRLFRR
     

   • Total number of restraints: 301
     • Intra-residue restraints, i = j : 107
     • Sequential restraints, | i - j | = 1 : 131
       • Backbone-backbone: 45
       • Backbone-side chain: 76
       • Side chain-side chain: 9
     • Medium range restraints, 1 < | i - j | < 5 : 61
       • Backbone-backbone: 25
       • Backbone-side chain: 19
       • Side chain-side chain: 17
     • Long range restraints, | i - j | >= 5 : 2
   • Weight of restraints: 1.0 (301)
     • Intra-residue restraints, i = j : 1.0 (107)
     • Sequential restraints, | i - j | = 1 : 1.0 (131)
       • Backbone-backbone: 1.0 (45)
       • Backbone-side chain: 1.0 (76)
       • Side chain-side chain: 1.0 (9)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (61)
       • Backbone-backbone: 1.0 (25)
       • Backbone-side chain: 1.0 (19)
       • Side chain-side chain: 1.0 (17)
     • Long range restraints, | i - j | >= 5 : 1.0 (2)
   • Potential type of restraints: upper-bound-parabolic (301)
     • Intra-residue restraints, i = j : upper-bound-parabolic (107)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (131)
       • Backbone-backbone: upper-bound-parabolic (45)
       • Backbone-side chain: upper-bound-parabolic (76)
       • Side chain-side chain: upper-bound-parabolic (9)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (61)
       • Backbone-backbone: upper-bound-parabolic (25)
       • Backbone-side chain: upper-bound-parabolic (19)
       • Side chain-side chain: upper-bound-parabolic (17)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (2)
   • Range of distance target values: 2.8, 5.2 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in 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_2
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 100.0%

     --------10--------20----
     WWWKYEITTIHNLFRKLTHRLFRR
     ||||||||||||||||||||||||
     WWWKYEITTIHNLFRKLTHRLFRR
     

   • Total number of restraints: 44
     • Phi angle constraints: 22
     • Psi angle constraints: 22
   • Total number of restraints per polymer type: 44
     • Protein: 44
   • Weight of restraints: 1.0 (44)
     • Phi angle constraints: 1.0 (22)
     • Psi angle constraints: 1.0 (22)
   • Potential type of restraints: square-well-parabolic (44)
     • Phi angle constraints: square-well-parabolic (22)
     • Psi angle constraints: square-well-parabolic (22)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A