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

--40--------50--------60--------70-----
LTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
|||||||||||||||||||||||||||||||||||||||
LTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
--------10--------20--------30---------

Chain assignments

Content subtype: combined_15731_2k2z.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 39, Sequence coverage: 100.0%

     --40--------50--------60--------70-----
     LTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
     |||||||||||||||||||||||||||||||||||||||
     LTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
     

   • Total number of assignments
     • ¹H chemical shifts: 204
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         69	LYS	HZ1	7.349
         69	LYS	HZ2	7.349
         69	LYS	HZ3	7.349
         75	HIS	HD1	6.992

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	227	199	87.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	82	98.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	144	117	81.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	11	84.6

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	6	75.0

   • 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: 39, Sequence coverage: 97.4%

     --40--------50--------60--------70-----
     LTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH
     |||||||||||||||||||||||||||||||||||||| 
     LTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWL 
     --40--------50--------60--------70---- 
     

   • Total number of restraints: 609
     • Intra-residue restraints, i = j : 209
     • Sequential restraints, | i - j | = 1 : 191
       • Backbone-backbone: 54
       • Backbone-side chain: 112
       • Side chain-side chain: 25
     • Medium range restraints, 1 < | i - j | < 5 : 84
       • Backbone-backbone: 14
       • Backbone-side chain: 30
       • Side chain-side chain: 40
     • Long range restraints, | i - j | >= 5 : 125
   • Weight of restraints: 1.0 (609)
     • Intra-residue restraints, i = j : 1.0 (209)
     • Sequential restraints, | i - j | = 1 : 1.0 (191)
       • Backbone-backbone: 1.0 (54)
       • Backbone-side chain: 1.0 (112)
       • Side chain-side chain: 1.0 (25)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (84)
       • Backbone-backbone: 1.0 (14)
       • Backbone-side chain: 1.0 (30)
       • Side chain-side chain: 1.0 (40)
     • Long range restraints, | i - j | >= 5 : 1.0 (125)
   • Potential type of restraints: upper-bound-parabolic (609)
     • Intra-residue restraints, i = j : upper-bound-parabolic (209)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (191)
       • Backbone-backbone: upper-bound-parabolic (54)
       • Backbone-side chain: upper-bound-parabolic (112)
       • Side chain-side chain: upper-bound-parabolic (25)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (84)
       • Backbone-backbone: upper-bound-parabolic (14)
       • Backbone-side chain: upper-bound-parabolic (30)
       • Side chain-side chain: upper-bound-parabolic (40)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (125)
   • 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