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
DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
||||||||||||||||||||||||||||||||||||||||
DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV

Chain assignments

Content subtype: combined_17764_2lfm.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 40, Sequence coverage: 100.0%

     --------10--------20--------30--------40
     DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
     ||||||||||||||||||||||||||||||||||||||||
     DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
     

   • Total number of assignments
     • ¹H chemical shifts: 210
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         6	HIS	HD1	6.645
         13	HIS	HD1	6.61

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	226	208	92.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	86	84	97.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	140	124	88.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	24	22	91.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	19	76.0

   • 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: 40, Sequence coverage: 97.5%

     --------10--------20--------30--------40
     DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
      |||||||||||||||||||||||||||||||||||||||
     .AEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
     

   • Total number of restraints: 669
     • Intra-residue restraints, i = j : 198
     • Sequential restraints, | i - j | = 1 : 286
       • Backbone-backbone: 65
       • Backbone-side chain: 162
       • Side chain-side chain: 59
     • Medium range restraints, 1 < | i - j | < 5 : 148
       • Backbone-backbone: 18
       • Backbone-side chain: 66
       • Side chain-side chain: 64
     • Long range restraints, | i - j | >= 5 : 37
   • Weight of restraints: 1.0 (669)
     • Intra-residue restraints, i = j : 1.0 (198)
     • Sequential restraints, | i - j | = 1 : 1.0 (286)
       • Backbone-backbone: 1.0 (65)
       • Backbone-side chain: 1.0 (162)
       • Side chain-side chain: 1.0 (59)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (148)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (66)
       • Side chain-side chain: 1.0 (64)
     • Long range restraints, | i - j | >= 5 : 1.0 (37)
   • Potential type of restraints: upper-bound-parabolic (669)
     • Intra-residue restraints, i = j : upper-bound-parabolic (198)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (286)
       • Backbone-backbone: upper-bound-parabolic (65)
       • Backbone-side chain: upper-bound-parabolic (162)
       • Side chain-side chain: upper-bound-parabolic (59)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (148)
       • Backbone-backbone: upper-bound-parabolic (18)
       • Backbone-side chain: upper-bound-parabolic (66)
       • Side chain-side chain: upper-bound-parabolic (64)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (37)
   • Range of distance target values: 2.64, 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