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--------30--------40--
EEECCICMDGRADLILPCAHSFCQKCIDKWSDRHRNCPICRL
||||||||||||||||||||||||||||||||||||||||||
EEECCICMDGRADLILPCAHSFCQKCIDKWSDRHRNCPICRL

Chain assignments

Content subtype: combined_36072_5xek.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 42, Sequence coverage: 95.2%

     --------10--------20--------30--------40--
     EEECCICMDGRADLILPCAHSFCQKCIDKWSDRHRNCPICRL
      |||||||||||||||||||||||||||||||||||||||| 
     .EECCICMDGRADLILPCAHSFCQKCIDKWSDRHRNCPICR 
     --------10--------20--------30--------40- 
     

   • Total number of assignments
     • ¹H chemical shifts: 41
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	254	41	16.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	41	49.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	171	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	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: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 42, Sequence coverage: 59.5%

     --------10--------20--------30--------40--
     EEECCICMDGRADLILPCAHSFCQKCIDKWSDRHRNCPICRL
     |||||| |  ||  ||| ||||||||||||  |         
     EEECCI.M..RA..ILP.AHSFCQKCIDKW..R         
     --------10--------20--------30---         
     

   • Total number of restraints: 27
     • Intra-residue restraints, i = j : 12
     • Sequential restraints, | i - j | = 1 : 6
       • Backbone-backbone: 5
       • Backbone-side chain: 1
     • Medium range restraints, 1 < | i - j | < 5 : 5
       • Backbone-backbone: 5
     • Long range restraints, | i - j | >= 5 : 4
   • Weight of restraints: 1.0 (27)
     • Intra-residue restraints, i = j : 1.0 (12)
     • Sequential restraints, | i - j | = 1 : 1.0 (6)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (1)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (5)
       • Backbone-backbone: 1.0 (5)
     • Long range restraints, | i - j | >= 5 : 1.0 (4)
   • Potential type of restraints: upper-bound-parabolic (27)
     • Intra-residue restraints, i = j : upper-bound-parabolic (12)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (6)
       • Backbone-backbone: upper-bound-parabolic (5)
       • Backbone-side chain: upper-bound-parabolic (1)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (5)
       • Backbone-backbone: upper-bound-parabolic (5)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (4)
   • Range of distance target values: 2.14, 4.89 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
     • Chain_ID: B
       None
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A