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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GGLGRCIYNCMNSGGGLSFIQCKTMCY
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GGLGRCIYNCMNSGGGLSFIQCKTMCY

Chain assignments

Content subtype: combined_30508_6efe.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 96.3%

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     GGLGRCIYNCMNSGGGLSFIQCKTMCY
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     .GLGRCIYNCMNSGGGLSFIQCKTMCY
     

   • Total number of assignments
     • ¹H chemical shifts: 126
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	152	126	82.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	60	56	93.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	92	70	76.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	8	72.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	6	46.2

   • 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: 27, Sequence coverage: 100.0%

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     GGLGRCIYNCMNSGGGLSFIQCKTMCY
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     GGLGRCIYNCMNSGGGLSFIQCKTMCY
     

   • Total number of restraints: 456
     • Intra-residue restraints, i = j : 252
     • Sequential restraints, | i - j | = 1 : 111
       • Backbone-backbone: 50
       • Backbone-side chain: 43
       • Side chain-side chain: 18
     • Medium range restraints, 1 < | i - j | < 5 : 55
       • Backbone-backbone: 22
       • Backbone-side chain: 19
       • Side chain-side chain: 14
     • Long range restraints, | i - j | >= 5 : 38
   • Weight of restraints: 1.0 (456)
     • Intra-residue restraints, i = j : 1.0 (252)
     • Sequential restraints, | i - j | = 1 : 1.0 (111)
       • Backbone-backbone: 1.0 (50)
       • Backbone-side chain: 1.0 (43)
       • Side chain-side chain: 1.0 (18)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (55)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (19)
       • Side chain-side chain: 1.0 (14)
     • Long range restraints, | i - j | >= 5 : 1.0 (38)
   • Potential type of restraints: square-well-parabolic (456)
     • Intra-residue restraints, i = j : square-well-parabolic (252)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (111)
       • Backbone-backbone: square-well-parabolic (50)
       • Backbone-side chain: square-well-parabolic (43)
       • Side chain-side chain: square-well-parabolic (18)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (55)
       • Backbone-backbone: square-well-parabolic (22)
       • Backbone-side chain: square-well-parabolic (19)
       • Side chain-side chain: square-well-parabolic (14)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (38)
   • Range of distance target values: 1.75, 6.0 (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