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

---------
XPYXPKDLX
|||||||||
XPYXPKDLX

Chain assignments

Content subtype: combined_30358_6beo.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 9, Sequence coverage: 100.0%

     ---------
     XPYXPKDLX
     |||||||||
     XPYXPKDLX
     

   • Total number of assignments
     • ¹H chemical shifts: 59
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         1	DPR
         4	DHI
         9	DGN

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	43	39	90.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	10	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	33	29	87.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	2	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	100.0

   • 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: 9, Sequence coverage: 77.8%

     ---------
     XPYXPKDLX
     ||| |||| 
     XPY.PKDL 
     -------- 
     

   • Total number of restraints: 63
     • Intra-residue restraints, i = j : 35
     • Sequential restraints, | i - j | = 1 : 15
       • Backbone-backbone: 3
       • Backbone-side chain: 12
     • Medium range restraints, 1 < | i - j | < 5 : 13
       • Backbone-backbone: 3
       • Backbone-side chain: 6
       • Side chain-side chain: 4
   • Weight of restraints: 1.0 (63)
     • Intra-residue restraints, i = j : 1.0 (35)
     • Sequential restraints, | i - j | = 1 : 1.0 (15)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (13)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (6)
       • Side chain-side chain: 1.0 (4)
   • Potential type of restraints: square-well-parabolic (63)
     • Intra-residue restraints, i = j : square-well-parabolic (35)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (15)
       • Backbone-backbone: square-well-parabolic (3)
       • Backbone-side chain: square-well-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (13)
       • Backbone-backbone: square-well-parabolic (3)
       • Backbone-side chain: square-well-parabolic (6)
       • Side chain-side chain: square-well-parabolic (4)
   • Range of distance target values: 2.5, 4.5 (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