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-----
XFEDLPNFGHIQVKVFNHGEHIHHX
|||||||||||||||||||||||||
XFEDLPNFGHIQVKVFNHGEHIHHX

Chain assignments

Content subtype: combined_25631_2n30.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 92.0%

     --------10--------20-----
     XFEDLPNFGHIQVKVFNHGEHIHHX
      ||||||||||||||||||||||| 
     .FEDLPNFGHIQVKVFNHGEHIHH 
     --------10--------20---- 
     

   • Total number of assignments
     • ¹H chemical shifts: 134
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	151	134	88.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	48	47	97.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	103	87	84.5

       • Methyl group atoms

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

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	12	48.0

   • 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: OK

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 88.0%

     --------10--------20-----
     XFEDLPNFGHIQVKVFNHGEHIHHX
      ||||||||||||||||||||||  
     .FEDLPNFGHIQVKVFNHGEHIH  
     --------10--------20---  
     

   • Total number of restraints: 200
     • Intra-residue restraints, i = j : 127
     • Sequential restraints, | i - j | = 1 : 55
       • Backbone-backbone: 29
       • Backbone-side chain: 26
     • Medium range restraints, 1 < | i - j | < 5 : 18
       • Backbone-backbone: 9
       • Backbone-side chain: 7
       • Side chain-side chain: 2
   • Weight of restraints: 1.0 (200)
     • Intra-residue restraints, i = j : 1.0 (127)
     • Sequential restraints, | i - j | = 1 : 1.0 (55)
       • Backbone-backbone: 1.0 (29)
       • Backbone-side chain: 1.0 (26)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (18)
       • Backbone-backbone: 1.0 (9)
       • Backbone-side chain: 1.0 (7)
       • Side chain-side chain: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (200)
     • Intra-residue restraints, i = j : square-well-parabolic (127)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (55)
       • Backbone-backbone: square-well-parabolic (29)
       • Backbone-side chain: square-well-parabolic (26)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (18)
       • Backbone-backbone: square-well-parabolic (9)
       • Backbone-side chain: square-well-parabolic (7)
       • Side chain-side chain: square-well-parabolic (2)
   • Range of distance target values: 2.0, 3.8 (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: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 44.0%
   • Total number of restraints: 8
     • Phi angle constraints: 8
   • Total number of restraints per polymer type: 8
     • Protein: 8
   • Weight of restraints: 1.0 (8)
     • Phi angle constraints: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (8)
     • Phi angle constraints: square-well-parabolic (8)
   • Dihedral angle restraints per residue