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-
XGIIAGIIKVIKSLIEQFTGK
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XGIIAGIIKVIKSLIEQFTGK

Chain assignments

Content subtype: combined_30109_5khb.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 95.2%

     --------10--------20-
     XGIIAGIIKVIKSLIEQFTGK
      ||||||||||||||||||||
     .GIIAGIIKVIKSLIEQFTGK
     

   • Total number of assignments
     • ¹H chemical shifts: 109
   • 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	127	109	85.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	43	41	95.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	84	68	81.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	17	94.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	2	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: 21, Sequence coverage: 95.2%

     --------10--------20-
     XGIIAGIIKVIKSLIEQFTGK
      ||||||||||||||||||||
     .GIIAGIIKVIKSLIEQFTGK
     

   • Total number of restraints: 361
     • Intra-residue restraints, i = j : 154
     • Sequential restraints, | i - j | = 1 : 111
       • Backbone-backbone: 22
       • Backbone-side chain: 66
       • Side chain-side chain: 23
     • Medium range restraints, 1 < | i - j | < 5 : 96
       • Backbone-backbone: 37
       • Backbone-side chain: 50
       • Side chain-side chain: 9
   • Weight of restraints: 1.0 (361)
     • Intra-residue restraints, i = j : 1.0 (154)
     • Sequential restraints, | i - j | = 1 : 1.0 (111)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (66)
       • Side chain-side chain: 1.0 (23)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (96)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (50)
       • Side chain-side chain: 1.0 (9)
   • Potential type of restraints: upper-bound-parabolic (361)
     • Intra-residue restraints, i = j : upper-bound-parabolic (154)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (111)
       • Backbone-backbone: upper-bound-parabolic (22)
       • Backbone-side chain: upper-bound-parabolic (66)
       • Side chain-side chain: upper-bound-parabolic (23)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (96)
       • Backbone-backbone: upper-bound-parabolic (37)
       • Backbone-side chain: upper-bound-parabolic (50)
       • Side chain-side chain: upper-bound-parabolic (9)
   • Range of distance target values: 3.05, 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