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----
SRSSLRSRWGRFLLQRGSWTGPRC
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SRSSLRSRWGRFLLQRGSWTGPRC

Chain assignments

Content subtype: combined_18009_2lkq.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 100.0%

     --------10--------20----
     SRSSLRSRWGRFLLQRGSWTGPRC
     ||||||||||||||||||||||||
     SRSSLRSRWGRFLLQRGSWTGPRC
     

   • Total number of assignments
     • ¹H chemical shifts: 145
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	156	145	92.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	50	48	96.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	106	97	91.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	7	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	12	70.6

   • 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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 91.7%

     --------10--------20----
     SRSSLRSRWGRFLLQRGSWTGPRC
      |||||||||||||||||||||| 
     .RSSLRSRWGRFLLQRGSWTGPR 
     --------10--------20--- 
     

   • Total number of restraints: 339
     • Intra-residue restraints, i = j : 161
     • Sequential restraints, | i - j | = 1 : 112
       • Backbone-backbone: 29
       • Backbone-side chain: 64
       • Side chain-side chain: 19
     • Medium range restraints, 1 < | i - j | < 5 : 66
       • Backbone-backbone: 24
       • Backbone-side chain: 24
       • Side chain-side chain: 18
   • Weight of restraints: 1.0 (339)
     • Intra-residue restraints, i = j : 1.0 (161)
     • Sequential restraints, | i - j | = 1 : 1.0 (112)
       • Backbone-backbone: 1.0 (29)
       • Backbone-side chain: 1.0 (64)
       • Side chain-side chain: 1.0 (19)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (66)
       • Backbone-backbone: 1.0 (24)
       • Backbone-side chain: 1.0 (24)
       • Side chain-side chain: 1.0 (18)
   • Potential type of restraints: upper-bound-parabolic (339)
     • Intra-residue restraints, i = j : upper-bound-parabolic (161)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (112)
       • Backbone-backbone: upper-bound-parabolic (29)
       • Backbone-side chain: upper-bound-parabolic (64)
       • Side chain-side chain: upper-bound-parabolic (19)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (66)
       • Backbone-backbone: upper-bound-parabolic (24)
       • Backbone-side chain: upper-bound-parabolic (24)
       • Side chain-side chain: upper-bound-parabolic (18)
   • Range of distance target values: 2.31, 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