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

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LMGLFNRIIRKVVKLFN
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LMGLFNRIIRKVVKLFN

Chain assignments

Content subtype: combined_30717_6vla.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

     --------10-------
     LMGLFNRIIRKVVKLFN
     |||||||||||||||||
     LMGLFNRIIRKVVKLFN
     

   • Total number of assignments
     • ¹H chemical shifts: 98
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	123	98	79.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	35	33	94.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	88	65	73.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	9	60.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	6	60.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

     --------10-------
     LMGLFNRIIRKVVKLFN
     |||||||||||||||||
     LMGLFNRIIRKVVKLFN
     

   • Total number of restraints: 347
     • Intra-residue restraints, i = j : 226
     • Sequential restraints, | i - j | = 1 : 55
       • Backbone-backbone: 27
       • Backbone-side chain: 24
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 66
       • Backbone-backbone: 23
       • Backbone-side chain: 29
       • Side chain-side chain: 14
   • Weight of restraints: 1.0 (347)
     • Intra-residue restraints, i = j : 1.0 (226)
     • Sequential restraints, | i - j | = 1 : 1.0 (55)
       • Backbone-backbone: 1.0 (27)
       • Backbone-side chain: 1.0 (24)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (66)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (29)
       • Side chain-side chain: 1.0 (14)
   • Potential type of restraints: square-well-parabolic (347)
     • Intra-residue restraints, i = j : square-well-parabolic (226)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (55)
       • Backbone-backbone: square-well-parabolic (27)
       • Backbone-side chain: square-well-parabolic (24)
       • Side chain-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (66)
       • Backbone-backbone: square-well-parabolic (23)
       • Backbone-side chain: square-well-parabolic (29)
       • Side chain-side chain: square-well-parabolic (14)
   • Range of distance target values: 1.9, 3.9 (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