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--------20--------30--------40------
ADNKCENSLRREIACGQCRDKVKTDGYFYECCTSDSTFKKCQDLLH
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ADNKCENSLRREIACGQCRDKVKTDGYFYECCTSDSTFKKCQDLLH

Chain assignments

Content subtype: combined_25472_2mz4.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 46, Sequence coverage: 97.8%

     --------10--------20--------30--------40------
     ADNKCENSLRREIACGQCRDKVKTDGYFYECCTSDSTFKKCQDLLH
      |||||||||||||||||||||||||||||||||||||||||||||
     .DNKCENSLRREIACGQCRDKVKTDGYFYECCTSDSTFKKCQDLLH
     

   • Total number of assignments
     • ¹H chemical shifts: 205
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	276	205	74.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	94	92	97.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	182	113	62.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	14	93.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	0	0.0

   • 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: 46, Sequence coverage: 97.8%

     --------10--------20--------30--------40------
     ADNKCENSLRREIACGQCRDKVKTDGYFYECCTSDSTFKKCQDLLH
      |||||||||||||||||||||||||||||||||||||||||||||
     .DNKCENSLRREIACGQCRDKVKTDGYFYECCTSDSTFKKCQDLLH
     

   • Total number of restraints: 733
     • Intra-residue restraints, i = j : 198
     • Sequential restraints, | i - j | = 1 : 235
       • Backbone-backbone: 67
       • Backbone-side chain: 138
       • Side chain-side chain: 30
     • Medium range restraints, 1 < | i - j | < 5 : 236
       • Backbone-backbone: 87
       • Backbone-side chain: 116
       • Side chain-side chain: 33
     • Long range restraints, | i - j | >= 5 : 64
   • Weight of restraints: 1.0 (733)
     • Intra-residue restraints, i = j : 1.0 (198)
     • Sequential restraints, | i - j | = 1 : 1.0 (235)
       • Backbone-backbone: 1.0 (67)
       • Backbone-side chain: 1.0 (138)
       • Side chain-side chain: 1.0 (30)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (236)
       • Backbone-backbone: 1.0 (87)
       • Backbone-side chain: 1.0 (116)
       • Side chain-side chain: 1.0 (33)
     • Long range restraints, | i - j | >= 5 : 1.0 (64)
   • Potential type of restraints: square-well-parabolic (733)
     • Intra-residue restraints, i = j : square-well-parabolic (198)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (235)
       • Backbone-backbone: square-well-parabolic (67)
       • Backbone-side chain: square-well-parabolic (138)
       • Side chain-side chain: square-well-parabolic (30)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (236)
       • Backbone-backbone: square-well-parabolic (87)
       • Backbone-side chain: square-well-parabolic (116)
       • Side chain-side chain: square-well-parabolic (33)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (64)
   • Range of distance target values: 1.2, 2.75 (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