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

------540-------550-
LVRVARKLDRYSEYGAAVLF
||||||||||||||||||||
LVRVARKLDRYSEYGAAVLF
--------10--------20

Chain assignments

Content subtype: combined_17699_2le7.nef

Assigned chemical shifts

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

     ------540-------550-
     LVRVARKLDRYSEYGAAVLF
     ||||||||||||||||||||
     LVRVARKLDRYSEYGAAVLF
     

   • Total number of assignments
     • ¹H chemical shifts: 100
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	124	99	79.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	40	97.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	59	71.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	14	93.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	4	30.8

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

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

     ------540-------550-
     LVRVARKLDRYSEYGAAVLF
     ||||||||||||||||||||
     LVRVARKLDRYSEYGAAVLF
     

   • Total number of restraints: 323
     • Intra-residue restraints, i = j : 60
     • Sequential restraints, | i - j | = 1 : 114
       • Backbone-backbone: 29
       • Backbone-side chain: 67
       • Side chain-side chain: 18
     • Medium range restraints, 1 < | i - j | < 5 : 110
       • Backbone-backbone: 34
       • Backbone-side chain: 59
       • Side chain-side chain: 17
     • Long range restraints, | i - j | >= 5 : 39
   • Weight of restraints: 1.0 (323)
     • Intra-residue restraints, i = j : 1.0 (60)
     • Sequential restraints, | i - j | = 1 : 1.0 (114)
       • Backbone-backbone: 1.0 (29)
       • Backbone-side chain: 1.0 (67)
       • Side chain-side chain: 1.0 (18)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (110)
       • Backbone-backbone: 1.0 (34)
       • Backbone-side chain: 1.0 (59)
       • Side chain-side chain: 1.0 (17)
     • Long range restraints, | i - j | >= 5 : 1.0 (39)
   • Potential type of restraints: upper-bound-parabolic (323)
     • Intra-residue restraints, i = j : upper-bound-parabolic (60)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (114)
       • Backbone-backbone: upper-bound-parabolic (29)
       • Backbone-side chain: upper-bound-parabolic (67)
       • Side chain-side chain: upper-bound-parabolic (18)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (110)
       • Backbone-backbone: upper-bound-parabolic (34)
       • Backbone-side chain: upper-bound-parabolic (59)
       • Side chain-side chain: upper-bound-parabolic (17)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (39)
   • Range of distance target values: 2.47, 5.5 (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