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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SPPPRGSSPGGDKLWQIYLN
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SPPPRGSSPGGDKLWQIYLN

Chain assignments

Content subtype: combined_18519_2luf.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

     --------10--------20
     SPPPRGSSPGGDKLWQIYLN
     ||||||||||||||||||||
     SPPPRGSSPGGDKLWQIYLN
     

   • Total number of assignments
     • ¹H chemical shifts: 124
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	125	124	99.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	39	38	97.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	86	86	100.0

       • Methyl group atoms

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

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	10	100.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

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: 20, Sequence coverage: 100.0%

     --------10--------20
     SPPPRGSSPGGDKLWQIYLN
     ||||||||||||||||||||
     SPPPRGSSPGGDKLWQIYLN
     

   • Total number of restraints: 420
     • Intra-residue restraints, i = j : 194
     • Sequential restraints, | i - j | = 1 : 118
       • Backbone-backbone: 28
       • Backbone-side chain: 56
       • Side chain-side chain: 34
     • Medium range restraints, 1 < | i - j | < 5 : 91
       • Backbone-backbone: 22
       • Backbone-side chain: 31
       • Side chain-side chain: 38
     • Long range restraints, | i - j | >= 5 : 17
   • Weight of restraints: 1.0 (420)
     • Intra-residue restraints, i = j : 1.0 (194)
     • Sequential restraints, | i - j | = 1 : 1.0 (118)
       • Backbone-backbone: 1.0 (28)
       • Backbone-side chain: 1.0 (56)
       • Side chain-side chain: 1.0 (34)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (91)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (31)
       • Side chain-side chain: 1.0 (38)
     • Long range restraints, | i - j | >= 5 : 1.0 (17)
   • Potential type of restraints: square-well-parabolic (420)
     • Intra-residue restraints, i = j : square-well-parabolic (194)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (118)
       • Backbone-backbone: square-well-parabolic (28)
       • Backbone-side chain: square-well-parabolic (56)
       • Side chain-side chain: square-well-parabolic (34)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (91)
       • Backbone-backbone: square-well-parabolic (22)
       • Backbone-side chain: square-well-parabolic (31)
       • Side chain-side chain: square-well-parabolic (38)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (17)
   • Range of distance target values: 2.29, 4.45 (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