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-
RPPPSDXAAYAQWLADXGWAS
|||||||||||||||||||||
RPPPSDXAAYAQWLADXGWAS

Chain assignments

Content subtype: combined_19180_2m7c.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%

     --------10--------20-
     RPPPSDXAAYAQWLADXGWAS
     |||||||||||||||||||||
     RPPPSDXAAYAQWLADXGWAS
     

   • Total number of assignments
     • ¹H chemical shifts: 110
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	115	110	95.7

       • 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	76	72	94.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	8	80.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	16	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: 21, Sequence coverage: 95.2%

     --------10--------20-
     RPPPSDXAAYAQWLADXGWAS
     |||||| ||||||||||||||
     RPPPSD.AAYAQWLADXGWAS
     

   • Total number of restraints: 337
     • Intra-residue restraints, i = j : 173
     • Sequential restraints, | i - j | = 1 : 69
       • Backbone-backbone: 21
       • Backbone-side chain: 33
       • Side chain-side chain: 15
     • Medium range restraints, 1 < | i - j | < 5 : 47
       • Backbone-backbone: 11
       • Backbone-side chain: 26
       • Side chain-side chain: 10
     • Long range restraints, | i - j | >= 5 : 48
   • Weight of restraints: 1.0 (337)
     • Intra-residue restraints, i = j : 1.0 (173)
     • Sequential restraints, | i - j | = 1 : 1.0 (69)
       • Backbone-backbone: 1.0 (21)
       • Backbone-side chain: 1.0 (33)
       • Side chain-side chain: 1.0 (15)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (47)
       • Backbone-backbone: 1.0 (11)
       • Backbone-side chain: 1.0 (26)
       • Side chain-side chain: 1.0 (10)
     • Long range restraints, | i - j | >= 5 : 1.0 (48)
   • Potential type of restraints: square-well-parabolic (337)
     • Intra-residue restraints, i = j : square-well-parabolic (173)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (69)
       • Backbone-backbone: square-well-parabolic (21)
       • Backbone-side chain: square-well-parabolic (33)
       • Side chain-side chain: square-well-parabolic (15)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (47)
       • Backbone-backbone: square-well-parabolic (11)
       • Backbone-side chain: square-well-parabolic (26)
       • Side chain-side chain: square-well-parabolic (10)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (48)
   • Range of distance target values: 2.07, 5.62 (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