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--------
KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTYX
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KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTYX

Chain assignments

Content subtype: combined_17394_2l86.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 38, Sequence coverage: 97.4%

     --------10--------20--------30--------
     KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTYX
     ||||||||||||||||||||||||||||||||||||| 
     KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTY 
     --------10--------20--------30------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 188
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	201	188	93.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	76	70	92.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	125	118	94.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	21	20	95.2

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	14	87.5

   • 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: 38, Sequence coverage: 97.4%

     --------10--------20--------30--------
     KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTYX
     ||||||||||||||||||||||||||||||||||||| 
     KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTY 
     --------10--------20--------30------- 
     

   • Total number of restraints: 510
     • Intra-residue restraints, i = j : 191
     • Sequential restraints, | i - j | = 1 : 167
       • Backbone-backbone: 23
       • Backbone-side chain: 101
       • Side chain-side chain: 43
     • Medium range restraints, 1 < | i - j | < 5 : 149
       • Backbone-backbone: 37
       • Backbone-side chain: 70
       • Side chain-side chain: 42
     • Long range restraints, | i - j | >= 5 : 3
   • Weight of restraints: 1.0 (510)
     • Intra-residue restraints, i = j : 1.0 (191)
     • Sequential restraints, | i - j | = 1 : 1.0 (167)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (101)
       • Side chain-side chain: 1.0 (43)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (149)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (70)
       • Side chain-side chain: 1.0 (42)
     • Long range restraints, | i - j | >= 5 : 1.0 (3)
   • Potential type of restraints: upper-bound-parabolic (510)
     • Intra-residue restraints, i = j : upper-bound-parabolic (191)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (167)
       • Backbone-backbone: upper-bound-parabolic (23)
       • Backbone-side chain: upper-bound-parabolic (101)
       • Side chain-side chain: upper-bound-parabolic (43)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (149)
       • Backbone-backbone: upper-bound-parabolic (37)
       • Backbone-side chain: upper-bound-parabolic (70)
       • Side chain-side chain: upper-bound-parabolic (42)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (3)
   • Range of distance target values: 2.75, 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