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---------
YCQKWXWTCDSKRACCEGLRCKLWCRKEI
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YCQKWXWTCDSKRACCEGLRCKLWCRKEI

Chain assignments

Content subtype: combined_30411_6cgw.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 86.2%

     --------10--------20---------
     YCQKWXWTCDSKRACCEGLRCKLWCRKEI
       | ||||||||| |||||||||||||||
     ..Q.WXWTCDSKR.CCEGLRCKLWCRKEI
     

   • Total number of assignments
     • ¹H chemical shifts: 126
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	197	126	64.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	59	51	86.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	138	75	54.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	5	55.6

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	22	6	27.3

   • 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: 29, Sequence coverage: 93.1%

     --------10--------20---------
     YCQKWXWTCDSKRACCEGLRCKLWCRKEI
      || |||||||||||||||||||||||||
     .CQ.WXWTCDSKRACCEGLRCKLWCRKEI
     

   • Total number of restraints: 702
     • Intra-residue restraints, i = j : 129
     • Sequential restraints, | i - j | = 1 : 167
       • Backbone-backbone: 63
       • Backbone-side chain: 82
       • Side chain-side chain: 22
     • Medium range restraints, 1 < | i - j | < 5 : 112
       • Backbone-backbone: 13
       • Backbone-side chain: 68
       • Side chain-side chain: 31
     • Long range restraints, | i - j | >= 5 : 291
     • Total disulfide bond restraints: 3
   • Weight of restraints: 1.0 (702)
     • Intra-residue restraints, i = j : 1.0 (129)
     • Sequential restraints, | i - j | = 1 : 1.0 (167)
       • Backbone-backbone: 1.0 (63)
       • Backbone-side chain: 1.0 (82)
       • Side chain-side chain: 1.0 (22)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (112)
       • Backbone-backbone: 1.0 (13)
       • Backbone-side chain: 1.0 (68)
       • Side chain-side chain: 1.0 (31)
     • Long range restraints, | i - j | >= 5 : 1.0 (291)
     • Total disulfide bond restraints: 1.0 (3)
   • Potential type of restraints: upper-bound-parabolic (702)
     • Intra-residue restraints, i = j : upper-bound-parabolic (129)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (167)
       • Backbone-backbone: upper-bound-parabolic (63)
       • Backbone-side chain: upper-bound-parabolic (82)
       • Side chain-side chain: upper-bound-parabolic (22)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (112)
       • Backbone-backbone: upper-bound-parabolic (13)
       • Backbone-side chain: upper-bound-parabolic (68)
       • Side chain-side chain: upper-bound-parabolic (31)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (291)
     • Total disulfide bond restraints: upper-bound-parabolic (3)
   • Range of distance target values: 2.1, 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