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------
VVYTDCTESGQNLCLCEGSNVCGQGNKCILGRGDSKNQCVTGEGTPKPQSHNQGDFEPIPEDAYDE
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VVYTDCTESGQNLCLCEGSNVCGQGNKCILGRGDSKNQCVTGEGTPKPQSHNQGDFEPIPEDAYDE

Chain assignments

Content subtype: combined_15405_2joo.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 66, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50--------60------
     VVYTDCTESGQNLCLCEGSNVCGQGNKCILGRGDSKNQCVTGEGTPKPQSHNQGDFEPIPEDAYDE
     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     VVYTDCTESGQNLCLCEGSNVCGQGNKCILGRGDSKNQCVTGEGTPKPQSHNQGDFEPIPEDAYDE
     

   • Total number of assignments
     • ¹H chemical shifts: 364
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	365	364	99.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	137	136	99.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	228	228	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	23	23	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	15	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: 66, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50--------60------
     VVYTDCTESGQNLCLCEGSNVCGQGNKCILGRGDSKNQCVTGEGTPKPQSHNQGDFEPIPEDAYDE
     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     VVYTDCTESGQNLCLCEGSNVCGQGNKCILGRGDSKNQCVTGEGTPKPQSHNQGDFEPIPEDAYDE
     

   • Total number of restraints: 1347
     • Intra-residue restraints, i = j : 466
     • Sequential restraints, | i - j | = 1 : 330
       • Backbone-backbone: 131
       • Backbone-side chain: 161
       • Side chain-side chain: 38
     • Medium range restraints, 1 < | i - j | < 5 : 142
       • Backbone-backbone: 42
       • Backbone-side chain: 51
       • Side chain-side chain: 49
     • Long range restraints, | i - j | >= 5 : 409
   • Weight of restraints: 1.0 (1347)
     • Intra-residue restraints, i = j : 1.0 (466)
     • Sequential restraints, | i - j | = 1 : 1.0 (330)
       • Backbone-backbone: 1.0 (131)
       • Backbone-side chain: 1.0 (161)
       • Side chain-side chain: 1.0 (38)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (142)
       • Backbone-backbone: 1.0 (42)
       • Backbone-side chain: 1.0 (51)
       • Side chain-side chain: 1.0 (49)
     • Long range restraints, | i - j | >= 5 : 1.0 (409)
   • Potential type of restraints: square-well-parabolic (1347)
     • Intra-residue restraints, i = j : square-well-parabolic (466)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (330)
       • Backbone-backbone: square-well-parabolic (131)
       • Backbone-side chain: square-well-parabolic (161)
       • Side chain-side chain: square-well-parabolic (38)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (142)
       • Backbone-backbone: square-well-parabolic (42)
       • Backbone-side chain: square-well-parabolic (51)
       • Side chain-side chain: square-well-parabolic (49)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (409)
   • Range of distance target values: 1.53, 7.48 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A