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--------50-------
VFSQGGQVDCGEFQDTKVYCTRESNPHCGSDGQTYGNKCAFCKAIVKSGGKISLKHPGKC
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
VFSQGGQVDCGEFQDTKVYCTRESNPHCGSDGQTYGNKCAFCKAIVKSGGKISLKHPGKC
--------10--------20--------30--------40--------50--------60

Chain assignments

Content subtype: combined_25691_2n52.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 91.7%

     -----------10--------20--------30--------40--------50-------
     VFSQGGQVDCGEFQDTKVYCTRESNPHCGSDGQTYGNKCAFCKAIVKSGGKISLKHPGKC
        |||||||||||||||||||||| |||||||||||||||||||||||||||||| |||
     ...QGGQVDCGEFQDTKVYCTRESN.HCGSDGQTYGNKCAFCKAIVKSGGKISLKH.GKC
     

   • Total number of assignments
     • ¹H chemical shifts: 239
     • ¹⁵N chemical shifts: 55
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	346	235	67.9
         15N chemical shifts	65	55	84.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	127	117	92.1
         15N chemical shifts	58	55	94.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	219	118	53.9
         15N chemical shifts	7	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	14	73.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	27	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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 90.0%

     -----------10--------20--------30--------40--------50-------
     VFSQGGQVDCGEFQDTKVYCTRESNPHCGSDGQTYGNKCAFCKAIVKSGGKISLKHPGKC
         ||||||||||||||||||||| |||||||||||||||||||||||||||||| |||
     ....GGQVDCGEFQDTKVYCTRESN.HCGSDGQTYGNKCAFCKAIVKSGGKISLKH.GKC
     

   • Total number of restraints: 445
     • Intra-residue restraints, i = j : 173
     • Sequential restraints, | i - j | = 1 : 161
       • Backbone-backbone: 81
       • Backbone-side chain: 80
     • Medium range restraints, 1 < | i - j | < 5 : 63
       • Backbone-backbone: 31
       • Backbone-side chain: 28
       • Side chain-side chain: 4
     • Long range restraints, | i - j | >= 5 : 48
   • Weight of restraints: 1.0 (445)
     • Intra-residue restraints, i = j : 1.0 (173)
     • Sequential restraints, | i - j | = 1 : 1.0 (161)
       • Backbone-backbone: 1.0 (81)
       • Backbone-side chain: 1.0 (80)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (63)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (28)
       • Side chain-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (48)
   • Potential type of restraints: upper-bound-parabolic (445)
     • Intra-residue restraints, i = j : upper-bound-parabolic (173)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (161)
       • Backbone-backbone: upper-bound-parabolic (81)
       • Backbone-side chain: upper-bound-parabolic (80)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (63)
       • Backbone-backbone: upper-bound-parabolic (31)
       • Backbone-side chain: upper-bound-parabolic (28)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (48)
   • Range of distance target values: 0.0, 5.5 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A