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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ACKDNLPAATCSNVKANNNCSSEKYKTNCAKTCGEC
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ACKDNLPAATCSNVKANNNCSSEKYKTNCAKTCGEC

Chain assignments

Content subtype: combined_30378_6buc.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 36, Sequence coverage: 100.0%

     --------10--------20--------30------
     ACKDNLPAATCSNVKANNNCSSEKYKTNCAKTCGEC
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     ACKDNLPAATCSNVKANNNCSSEKYKTNCAKTCGEC
     

   • Total number of assignments
     • ¹H chemical shifts: 194
     • ¹⁵N chemical shifts: 39
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	195	194	99.5
         15N chemical shifts	41	39	95.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	72	71	98.6
         15N chemical shifts	35	33	94.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	123	123	100.0
         15N chemical shifts	6	6	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	12	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 36, Sequence coverage: 100.0%

     --------10--------20--------30------
     ACKDNLPAATCSNVKANNNCSSEKYKTNCAKTCGEC
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     ACKDNLPAATCSNVKANNNCSSEKYKTNCAKTCGEC
     

   • Total number of restraints: 1009
     • Intra-residue restraints, i = j : 356
     • Sequential restraints, | i - j | = 1 : 226
       • Backbone-backbone: 51
       • Backbone-side chain: 124
       • Side chain-side chain: 51
     • Medium range restraints, 1 < | i - j | < 5 : 227
       • Backbone-backbone: 41
       • Backbone-side chain: 118
       • Side chain-side chain: 68
     • Long range restraints, | i - j | >= 5 : 200
   • Weight of restraints: 1.0 (1009)
     • Intra-residue restraints, i = j : 1.0 (356)
     • Sequential restraints, | i - j | = 1 : 1.0 (226)
       • Backbone-backbone: 1.0 (51)
       • Backbone-side chain: 1.0 (124)
       • Side chain-side chain: 1.0 (51)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (227)
       • Backbone-backbone: 1.0 (41)
       • Backbone-side chain: 1.0 (118)
       • Side chain-side chain: 1.0 (68)
     • Long range restraints, | i - j | >= 5 : 1.0 (200)
   • Potential type of restraints: square-well-parabolic (1009)
     • Intra-residue restraints, i = j : square-well-parabolic (356)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (226)
       • Backbone-backbone: square-well-parabolic (51)
       • Backbone-side chain: square-well-parabolic (124)
       • Side chain-side chain: square-well-parabolic (51)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (227)
       • Backbone-backbone: square-well-parabolic (41)
       • Backbone-side chain: square-well-parabolic (118)
       • Side chain-side chain: square-well-parabolic (68)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (200)
   • Range of distance target values: 1.87, 3.1 (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