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

--250-----260-------270-------280------
GIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKKLIMY
|||||||||||||||||||||||||||||||||||||||
GIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKKLIMY
--------10--------20--------30---------

Chain assignments

Content subtype: combined_17193_2l3h.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 39, Sequence coverage: 97.4%

     --250-----260-------270-------280------
     GIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKKLIMY
     |||||||||||||||||||||||| ||||||||||||||
     GIHKQKEKSRLQGGVLVNEILNHM.RATQIPSYKKLIMY
     

   • Total number of assignments
     • ¹H chemical shifts: 217
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	265	217	81.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	80	75	93.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	185	142	76.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	24	18	75.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	12	100.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 39, Sequence coverage: 97.4%

     --250-----260-------270-------280------
     GIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKKLIMY
     |||||||||||||||||||||||| ||||||||||||||
     GIHKQKEKSRLQGGVLVNEILNHM.RATQIPSYKKLIMY
     

   • Total number of restraints: 405
     • Intra-residue restraints, i = j : 215
     • Sequential restraints, | i - j | = 1 : 126
       • Backbone-backbone: 47
       • Backbone-side chain: 68
       • Side chain-side chain: 11
     • Medium range restraints, 1 < | i - j | < 5 : 64
       • Backbone-backbone: 18
       • Backbone-side chain: 30
       • Side chain-side chain: 16
   • Weight of restraints: 1.0 (405)
     • Intra-residue restraints, i = j : 1.0 (215)
     • Sequential restraints, | i - j | = 1 : 1.0 (126)
       • Backbone-backbone: 1.0 (47)
       • Backbone-side chain: 1.0 (68)
       • Side chain-side chain: 1.0 (11)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (64)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (30)
       • Side chain-side chain: 1.0 (16)
   • Potential type of restraints: square-well-parabolic (405)
     • Intra-residue restraints, i = j : square-well-parabolic (215)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (126)
       • Backbone-backbone: square-well-parabolic (47)
       • Backbone-side chain: square-well-parabolic (68)
       • Side chain-side chain: square-well-parabolic (11)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (64)
       • Backbone-backbone: square-well-parabolic (18)
       • Backbone-side chain: square-well-parabolic (30)
       • Side chain-side chain: square-well-parabolic (16)
   • Range of distance target values: 2.35, 3.9 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A