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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KIFGAIWPLALGALKNLIKX
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KIFGAIWPLALGALKNLIKX

Chain assignments

Content subtype: combined_30060_5j6w.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: 95.0%

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     KIFGAIWPLALGALKNLIKX
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     KIFGAIWPLALGALKNLIK 
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   • Total number of assignments
     • ¹H chemical shifts: 112
   • 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	7.22
         19	LYS	HZ2	7.22
         19	LYS	HZ3	7.22

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	128	109	85.2

       • 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	89	72	80.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	15	88.2

       • 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%

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     KIFGAIWPLALGALKNLIKX
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     KIFGAIWPLALGALKNLIK 
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   • Total number of restraints: 203
     • Intra-residue restraints, i = j : 111
     • Sequential restraints, | i - j | = 1 : 51
       • Backbone-backbone: 18
       • Backbone-side chain: 19
       • Side chain-side chain: 14
     • Medium range restraints, 1 < | i - j | < 5 : 41
       • Backbone-backbone: 22
       • Backbone-side chain: 11
       • Side chain-side chain: 8
   • Weight of restraints: 1.0 (203)
     • Intra-residue restraints, i = j : 1.0 (111)
     • Sequential restraints, | i - j | = 1 : 1.0 (51)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (19)
       • Side chain-side chain: 1.0 (14)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (41)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (11)
       • Side chain-side chain: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (203)
     • Intra-residue restraints, i = j : square-well-parabolic (111)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (51)
       • Backbone-backbone: square-well-parabolic (18)
       • Backbone-side chain: square-well-parabolic (19)
       • Side chain-side chain: square-well-parabolic (14)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (41)
       • Backbone-backbone: square-well-parabolic (22)
       • Backbone-side chain: square-well-parabolic (11)
       • Side chain-side chain: square-well-parabolic (8)
   • Range of distance target values: 2.55, 4.75 (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