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--------
GTKASKSGVPVTQTQTAGADTTAEKCKGKGEKDCKSPDCKWEGGTCKD
||||||||||||||||||||||||||||||||||||||||||||||||
GTKASKSGVPVTQTQTAGADTTAEKCKGKGEKDCKSPDCKWEGGTCKD
--------10--------20--------30--------40--------

Chain assignments

Content subtype: combined_15752_2jwh.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 48, Sequence coverage: 93.8%

     -------430-------440-------450-------460--------
     GTKASKSGVPVTQTQTAGADTTAEKCKGKGEKDCKSPDCKWEGGTCKD
       | ||||||||||||||||||||||||||||||||||||||||||||
     ..K.SKSGVPVTQTQTAGADTTAEKCKGKGEKDCKSPDCKWEGGTCKD
     

   • Total number of assignments
     • ¹H chemical shifts: 252
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	263	252	95.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	101	94	93.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	162	158	97.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	12	80.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	100.0

   • 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: CNS/XPLOR_distance_constraints_3
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 48, Sequence coverage: 93.8%

     -------430-------440-------450-------460--------
     GTKASKSGVPVTQTQTAGADTTAEKCKGKGEKDCKSPDCKWEGGTCKD
       | ||||||||||||||||||||||||||||||||||||||||||||
     ..K.SKSGVPVTQTQTAGADTTAEKCKGKGEKDCKSPDCKWEGGTCKD
     

   • Total number of restraints: 802
     • Intra-residue restraints, i = j : 324
     • Sequential restraints, | i - j | = 1 : 229
       • Backbone-backbone: 81
       • Backbone-side chain: 137
       • Side chain-side chain: 11
     • Medium range restraints, 1 < | i - j | < 5 : 109
       • Backbone-backbone: 31
       • Backbone-side chain: 68
       • Side chain-side chain: 10
     • Long range restraints, | i - j | >= 5 : 140
   • Weight of restraints: 1.0 (802)
     • Intra-residue restraints, i = j : 1.0 (324)
     • Sequential restraints, | i - j | = 1 : 1.0 (229)
       • Backbone-backbone: 1.0 (81)
       • Backbone-side chain: 1.0 (137)
       • Side chain-side chain: 1.0 (11)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (109)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (68)
       • Side chain-side chain: 1.0 (10)
     • Long range restraints, | i - j | >= 5 : 1.0 (140)
   • Potential type of restraints: square-well-parabolic (802)
     • Intra-residue restraints, i = j : square-well-parabolic (324)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (229)
       • Backbone-backbone: square-well-parabolic (81)
       • Backbone-side chain: square-well-parabolic (137)
       • Side chain-side chain: square-well-parabolic (11)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (109)
       • Backbone-backbone: square-well-parabolic (31)
       • Backbone-side chain: square-well-parabolic (68)
       • Side chain-side chain: square-well-parabolic (10)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (140)
   • Range of distance target values: 1.7, 4.0 (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