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
RYCQKWXWTCDSKRACCEGLRCKLWCRKII
||||||||||||||||||||||||||||||
RYCQKWXWTCDSKRACCEGLRCKLWCRKII

Chain assignments

Content subtype: combined_30413_6chc.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 70.0%

     --------10--------20--------30
     RYCQKWXWTCDSKRACCEGLRCKLWCRKII
          ||||||  ||| |||||||||||| 
     .....WXWTCD..RAC.EGLRCKLWCRKI 
     --------10--------20--------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 124
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	207	124	59.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	61	43	70.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	146	81	55.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	8	72.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	22	15	68.2

   • 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: 30, Sequence coverage: 76.7%

     --------10--------20--------30
     RYCQKWXWTCDSKRACCEGLRCKLWCRKII
          ||||||  |||||||||||||||||
     .....WXWTCD..RACCEGLRCKLWCRKII
     

   • Total number of restraints: 290
     • Intra-residue restraints, i = j : 127
     • Sequential restraints, | i - j | = 1 : 88
       • Backbone-backbone: 22
       • Backbone-side chain: 52
       • Side chain-side chain: 14
     • Medium range restraints, 1 < | i - j | < 5 : 23
       • Backbone-side chain: 5
       • Side chain-side chain: 18
     • Long range restraints, | i - j | >= 5 : 52
   • Weight of restraints: 1.0 (290)
     • Intra-residue restraints, i = j : 1.0 (127)
     • Sequential restraints, | i - j | = 1 : 1.0 (88)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (52)
       • Side chain-side chain: 1.0 (14)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (23)
       • Backbone-side chain: 1.0 (5)
       • Side chain-side chain: 1.0 (18)
     • Long range restraints, | i - j | >= 5 : 1.0 (52)
   • Potential type of restraints: upper-bound-parabolic (290)
     • Intra-residue restraints, i = j : upper-bound-parabolic (127)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (88)
       • Backbone-backbone: upper-bound-parabolic (22)
       • Backbone-side chain: upper-bound-parabolic (52)
       • Side chain-side chain: upper-bound-parabolic (14)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (23)
       • Backbone-side chain: upper-bound-parabolic (5)
       • Side chain-side chain: upper-bound-parabolic (18)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (52)
   • Range of distance target values: 2.2, 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