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-
SLGSSPYNDILGYPALIVIYP
|||||||||||||||||||||
SLGSSPYNDILGYPALIVIYP

Chain assignments

Content subtype: combined_25297_2mw3.nef

Assigned chemical shifts

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

     --------10--------20-
     SLGSSPYNDILGYPALIVIYP
     |||||||||||||||||||||
     SLGSSPYNDILGYPALIVIYP
     

   • Total number of assignments
     • ¹H chemical shifts: 122
     • ¹³C chemical shifts: 21
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	123	122	99.2
         13C chemical shifts	99	21	21.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	40	97.6
         13C chemical shifts	42	21	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	82	82	100.0
         13C chemical shifts	57	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	15	100.0
         13C chemical shifts	15	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	12	100.0
         13C chemical shifts	12	0	0.0

   • 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: 100.0%

     --------10--------20-
     SLGSSPYNDILGYPALIVIYP
     |||||||||||||||||||||
     SLGSSPYNDILGYPALIVIYP
     

   • Total number of restraints: 322
     • Intra-residue restraints, i = j : 137
     • Sequential restraints, | i - j | = 1 : 83
       • Backbone-backbone: 25
       • Backbone-side chain: 42
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 29
       • Backbone-backbone: 6
       • Backbone-side chain: 12
       • Side chain-side chain: 11
     • Long range restraints, | i - j | >= 5 : 73
   • Weight of restraints: 1.0 (322)
     • Intra-residue restraints, i = j : 1.0 (137)
     • Sequential restraints, | i - j | = 1 : 1.0 (83)
       • Backbone-backbone: 1.0 (25)
       • Backbone-side chain: 1.0 (42)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (29)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (12)
       • Side chain-side chain: 1.0 (11)
     • Long range restraints, | i - j | >= 5 : 1.0 (73)
   • Potential type of restraints: square-well-parabolic (322)
     • Intra-residue restraints, i = j : square-well-parabolic (137)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (83)
       • Backbone-backbone: square-well-parabolic (25)
       • Backbone-side chain: square-well-parabolic (42)
       • Side chain-side chain: square-well-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (29)
       • Backbone-backbone: square-well-parabolic (6)
       • Backbone-side chain: square-well-parabolic (12)
       • Side chain-side chain: square-well-parabolic (11)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (73)
   • Range of distance target values: 2.65, 4.4 (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