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----
SCTCRRAWICRWGERHSGKCIDQKGSTYRLCCRR
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SCTCRRAWICRWGERHSGKCIDQKGSTYRLCCRR

Chain assignments

Content subtype: combined_25424_2mxq.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 34, Sequence coverage: 91.2%

     --------10--------20--------30----
     SCTCRRAWICRWGERHSGKCIDQKGSTYRLCCRR
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     SCTCRRAWICRWGERHSGKC..Q.GSTYRLCCRR
     

   • Total number of assignments
     • ¹H chemical shifts: 139
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	212	138	65.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	71	58	81.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	141	80	56.7

       • 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	18	9	50.0

   • 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: 34, Sequence coverage: 91.2%

     --------10--------20--------30----
     SCTCRRAWICRWGERHSGKCIDQKGSTYRLCCRR
     ||||||||||||||||||||  | ||||||||||
     SCTCRRAWICRWGERHSGKC..Q.GSTYRLCCRR
     

   • Total number of restraints: 242
     • Intra-residue restraints, i = j : 103
     • Sequential restraints, | i - j | = 1 : 68
       • Backbone-backbone: 34
       • Backbone-side chain: 34
     • Medium range restraints, 1 < | i - j | < 5 : 13
       • Backbone-backbone: 2
       • Backbone-side chain: 10
       • Side chain-side chain: 1
     • Long range restraints, | i - j | >= 5 : 58
   • Weight of restraints: 1.0 (242)
     • Intra-residue restraints, i = j : 1.0 (103)
     • Sequential restraints, | i - j | = 1 : 1.0 (68)
       • Backbone-backbone: 1.0 (34)
       • Backbone-side chain: 1.0 (34)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (13)
       • Backbone-backbone: 1.0 (2)
       • Backbone-side chain: 1.0 (10)
       • Side chain-side chain: 1.0 (1)
     • Long range restraints, | i - j | >= 5 : 1.0 (58)
   • Potential type of restraints: upper-bound-parabolic (242)
     • Intra-residue restraints, i = j : upper-bound-parabolic (103)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (68)
       • Backbone-backbone: upper-bound-parabolic (34)
       • Backbone-side chain: upper-bound-parabolic (34)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (13)
       • Backbone-backbone: upper-bound-parabolic (2)
       • Backbone-side chain: upper-bound-parabolic (10)
       • Side chain-side chain: upper-bound-parabolic (1)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (58)
   • Range of distance target values: 2.52, 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