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--
XEFVAKLFKFFKDLLGKFLGNN
||||||||||||||||||||||
XEFVAKLFKFFKDLLGKFLGNN

Chain assignments

Content subtype: combined_30106_5kgy.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 95.5%

     --------10--------20--
     XEFVAKLFKFFKDLLGKFLGNN
      |||||||||||||||||||||
     .EFVAKLFKFFKDLLGKFLGNN
     

   • Total number of assignments
     • ¹H chemical shifts: 107
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         1	FME

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	149	107	71.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	44	43	97.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	105	64	61.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	6	54.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	10	40.0

   • 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: DYANA/DIANA_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 90.9%

     --------10--------20--
     XEFVAKLFKFFKDLLGKFLGNN
      |||||||||||||||||||| 
     .EFVAKLFKFFKDLLGKFLGN 
     --------10--------20- 
     

   • Total number of restraints: 292
     • Intra-residue restraints, i = j : 103
     • Sequential restraints, | i - j | = 1 : 94
       • Backbone-backbone: 18
       • Backbone-side chain: 62
       • Side chain-side chain: 14
     • Medium range restraints, 1 < | i - j | < 5 : 95
       • Backbone-backbone: 25
       • Backbone-side chain: 48
       • Side chain-side chain: 22
   • Weight of restraints: 1.0 (292)
     • Intra-residue restraints, i = j : 1.0 (103)
     • Sequential restraints, | i - j | = 1 : 1.0 (94)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (62)
       • Side chain-side chain: 1.0 (14)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (95)
       • Backbone-backbone: 1.0 (25)
       • Backbone-side chain: 1.0 (48)
       • Side chain-side chain: 1.0 (22)
   • Potential type of restraints: upper-bound-parabolic (292)
     • Intra-residue restraints, i = j : upper-bound-parabolic (103)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (94)
       • Backbone-backbone: upper-bound-parabolic (18)
       • Backbone-side chain: upper-bound-parabolic (62)
       • Side chain-side chain: upper-bound-parabolic (14)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (95)
       • Backbone-backbone: upper-bound-parabolic (25)
       • Backbone-side chain: upper-bound-parabolic (48)
       • Side chain-side chain: upper-bound-parabolic (22)
   • Range of distance target values: 2.46, 5.5 (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