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

--430-----440-------450-------460----
GATAVSEWTEYKTADGKTYYYNNRTLESDWEKPQELK
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GATAVSEWTEYKTADGKTYYYNNRTLESDWEKPQELK
--------10--------20--------30-------

Chain assignments

Content subtype: combined_25682_2n4v.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 97.3%

     --430-----440-------450-------460----
     GATAVSEWTEYKTADGKTYYYNNRTLESDWEKPQELK
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     GATAVSEWTEYKTADGKTYYYNNRTLES.WEKPQELK
     

   • Total number of assignments
     • ¹H chemical shifts: 212
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         459	LYS	HZ1	6.51
         459	LYS	HZ2	6.51
         459	LYS	HZ3	6.51
         464	LYS	HZ1	7.436
         464	LYS	HZ2	7.436
         464	LYS	HZ3	7.436

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	228	206	90.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	75	72	96.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	153	134	87.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	14	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	28	20	71.4

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 100.0%

     --430-----440-------450-------460----
     GATAVSEWTEYKTADGKTYYYNNRTLESDWEKPQELK
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     GATAVSEWTEYKTADGKTYYYNNRTLESDWEKPQELK
     

   • Total number of restraints: 469
     • Sequential restraints, | i - j | = 1 : 173
       • Backbone-backbone: 50
       • Backbone-side chain: 99
       • Side chain-side chain: 24
     • Medium range restraints, 1 < | i - j | < 5 : 77
       • Backbone-backbone: 9
       • Backbone-side chain: 25
       • Side chain-side chain: 43
     • Long range restraints, | i - j | >= 5 : 219
   • Weight of restraints: 1.0 (469)
     • Sequential restraints, | i - j | = 1 : 1.0 (173)
       • Backbone-backbone: 1.0 (50)
       • Backbone-side chain: 1.0 (99)
       • Side chain-side chain: 1.0 (24)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (77)
       • Backbone-backbone: 1.0 (9)
       • Backbone-side chain: 1.0 (25)
       • Side chain-side chain: 1.0 (43)
     • Long range restraints, | i - j | >= 5 : 1.0 (219)
   • Potential type of restraints: square-well-parabolic (469)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (173)
       • Backbone-backbone: square-well-parabolic (50)
       • Backbone-side chain: square-well-parabolic (99)
       • Side chain-side chain: square-well-parabolic (24)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (77)
       • Backbone-backbone: square-well-parabolic (9)
       • Backbone-side chain: square-well-parabolic (25)
       • Side chain-side chain: square-well-parabolic (43)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (219)
   • Range of distance target values: 2.13, 5.27 (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