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---
FVQWFSKFLGRIL
|||||||||||||
FVQWFSKFLGRIL

Chain assignments

Content subtype: combined_34283_6gs5.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 13, Sequence coverage: 100.0%

     --------10---
     FVQWFSKFLGRIL
     |||||||||||||
     FVQWFSKFLGRIL
     

   • Total number of assignments
     • ¹H chemical shifts: 76
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         7	LYS	HZ1	7.361
         7	LYS	HZ2	7.361
         7	LYS	HZ3	7.361

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	97	73	75.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	27	26	96.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	70	47	67.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	8	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	21	0	0.0

   • 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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 13, Sequence coverage: 100.0%

     --------10---
     FVQWFSKFLGRIL
     |||||||||||||
     FVQWFSKFLGRIL
     

   • Total number of restraints: 652
     • Intra-residue restraints, i = j : 299
     • Sequential restraints, | i - j | = 1 : 186
       • Backbone-backbone: 33
       • Backbone-side chain: 103
       • Side chain-side chain: 50
     • Medium range restraints, 1 < | i - j | < 5 : 166
       • Backbone-backbone: 26
       • Backbone-side chain: 96
       • Side chain-side chain: 44
     • Long range restraints, | i - j | >= 5 : 1
   • Weight of restraints: 1.0 (652)
     • Intra-residue restraints, i = j : 1.0 (299)
     • Sequential restraints, | i - j | = 1 : 1.0 (186)
       • Backbone-backbone: 1.0 (33)
       • Backbone-side chain: 1.0 (103)
       • Side chain-side chain: 1.0 (50)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (166)
       • Backbone-backbone: 1.0 (26)
       • Backbone-side chain: 1.0 (96)
       • Side chain-side chain: 1.0 (44)
     • Long range restraints, | i - j | >= 5 : 1.0 (1)
   • Potential type of restraints: square-well-parabolic (652)
     • Intra-residue restraints, i = j : square-well-parabolic (299)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (186)
       • Backbone-backbone: square-well-parabolic (33)
       • Backbone-side chain: square-well-parabolic (103)
       • Side chain-side chain: square-well-parabolic (50)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (166)
       • Backbone-backbone: square-well-parabolic (26)
       • Backbone-side chain: square-well-parabolic (96)
       • Side chain-side chain: square-well-parabolic (44)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (1)
   • Range of distance target values: 2.21, 3.65 (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