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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DIFGAIWPLALGALKNLIKX
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DIFGAIWPLALGALKNLIKX

Chain assignments

Content subtype: combined_30059_5j6v.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 90.0%

     --------10--------20
     DIFGAIWPLALGALKNLIKX
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     .IFGAIWPLALGALKNLIK 
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   • Total number of assignments
     • ¹H chemical shifts: 104
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         19	LYS	HZ1	7.21
         19	LYS	HZ2	7.21
         19	LYS	HZ3	7.21

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	122	101	82.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	39	37	94.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	64	77.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	13	76.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	11	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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 95.0%

     --------10--------20
     DIFGAIWPLALGALKNLIKX
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     DIFGAIWPLALGALKNLIK 
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   • Total number of restraints: 220
     • Intra-residue restraints, i = j : 100
     • Sequential restraints, | i - j | = 1 : 57
       • Backbone-backbone: 22
       • Backbone-side chain: 23
       • Side chain-side chain: 12
     • Medium range restraints, 1 < | i - j | < 5 : 63
       • Backbone-backbone: 38
       • Backbone-side chain: 16
       • Side chain-side chain: 9
   • Weight of restraints: 1.0 (220)
     • Intra-residue restraints, i = j : 1.0 (100)
     • Sequential restraints, | i - j | = 1 : 1.0 (57)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (23)
       • Side chain-side chain: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (63)
       • Backbone-backbone: 1.0 (38)
       • Backbone-side chain: 1.0 (16)
       • Side chain-side chain: 1.0 (9)
   • Potential type of restraints: square-well-parabolic (220)
     • Intra-residue restraints, i = j : square-well-parabolic (100)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (57)
       • Backbone-backbone: square-well-parabolic (22)
       • Backbone-side chain: square-well-parabolic (23)
       • Side chain-side chain: square-well-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (63)
       • Backbone-backbone: square-well-parabolic (38)
       • Backbone-side chain: square-well-parabolic (16)
       • Side chain-side chain: square-well-parabolic (9)
   • Range of distance target values: 2.55, 3.75 (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