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--------50--------60--------70-----
NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
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NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH

Chain assignments

Content subtype: combined_15729_2k2x.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 75, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50--------60--------70-----
     NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
     

   • Total number of assignments
     • ¹H chemical shifts: 362
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	423	362	85.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	157	156	99.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	266	206	77.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	24	96.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	14	82.4

   • 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: DYANA/DIANA_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 75, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50--------60--------70-----
     NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
     

   • Total number of restraints: 1367
     • Intra-residue restraints, i = j : 408
     • Sequential restraints, | i - j | = 1 : 405
       • Backbone-backbone: 120
       • Backbone-side chain: 229
       • Side chain-side chain: 56
     • Medium range restraints, 1 < | i - j | < 5 : 210
       • Backbone-backbone: 32
       • Backbone-side chain: 78
       • Side chain-side chain: 100
     • Long range restraints, | i - j | >= 5 : 344
   • Weight of restraints: 1.0 (1367)
     • Intra-residue restraints, i = j : 1.0 (408)
     • Sequential restraints, | i - j | = 1 : 1.0 (405)
       • Backbone-backbone: 1.0 (120)
       • Backbone-side chain: 1.0 (229)
       • Side chain-side chain: 1.0 (56)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (210)
       • Backbone-backbone: 1.0 (32)
       • Backbone-side chain: 1.0 (78)
       • Side chain-side chain: 1.0 (100)
     • Long range restraints, | i - j | >= 5 : 1.0 (344)
   • Potential type of restraints: upper-bound-parabolic (1367)
     • Intra-residue restraints, i = j : upper-bound-parabolic (408)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (405)
       • Backbone-backbone: upper-bound-parabolic (120)
       • Backbone-side chain: upper-bound-parabolic (229)
       • Side chain-side chain: upper-bound-parabolic (56)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (210)
       • Backbone-backbone: upper-bound-parabolic (32)
       • Backbone-side chain: upper-bound-parabolic (78)
       • Side chain-side chain: upper-bound-parabolic (100)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (344)
   • Range of distance target values: 2.31, 5.63 (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