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

--700-------710-------720-------730-------740-------750-------760--
GSSHHHHHHSSGLVPRGSHMKLLITIHDRKEFAKFEEERARAKWDTANNPLXKEATSTFTNITYRGT
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSSHHHHHHSSGLVPRGSHMKLLITIHDRKEFAKFEEERARAKWDTANNPLXKEATSTFTNITYRGT
--------10--------20--------30--------40--------50--------60-------

Chain assignments

Content subtype: combined_17932_2ljf.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 67, Sequence coverage: 70.1%

     --700-------710-------720-------730-------740-------750-------760--
     GSSHHHHHHSSGLVPRGSHMKLLITIHDRKEFAKFEEERARAKWDTANNPLXKEATSTFTNITYRGT
                         |||||||||||||||||||||||||||||||||||||||||||||||
     ....................KLLITIHDRKEFAKFEEERARAKWDTANNPLXKEATSTFTNITYRGT
     

   • Total number of assignments
     • ¹H chemical shifts: 277
     • ¹⁵N chemical shifts: 50
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	406	277	68.2
         15N chemical shifts	74	50	67.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	136	94	69.1
         15N chemical shifts	65	46	70.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	270	183	67.8
         15N chemical shifts	9	4	44.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	29	21	72.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	45	27	60.0
         15N chemical shifts	1	1	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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 67, Sequence coverage: 70.1%

     --700-------710-------720-------730-------740-------750-------760--
     GSSHHHHHHSSGLVPRGSHMKLLITIHDRKEFAKFEEERARAKWDTANNPLXKEATSTFTNITYRGT
                         |||||||||||||||||||||||||||||||||||||||||||||||
     ....................KLLITIHDRKEFAKFEEERARAKWDTANNPLXKEATSTFTNITYRGT
     

   • Total number of restraints: 996
     • Intra-residue restraints, i = j : 340
     • Sequential restraints, | i - j | = 1 : 371
       • Backbone-backbone: 89
       • Backbone-side chain: 222
       • Side chain-side chain: 60
     • Medium range restraints, 1 < | i - j | < 5 : 187
       • Backbone-backbone: 35
       • Backbone-side chain: 101
       • Side chain-side chain: 51
     • Long range restraints, | i - j | >= 5 : 98
   • Weight of restraints: 1.0 (996)
     • Intra-residue restraints, i = j : 1.0 (340)
     • Sequential restraints, | i - j | = 1 : 1.0 (371)
       • Backbone-backbone: 1.0 (89)
       • Backbone-side chain: 1.0 (222)
       • Side chain-side chain: 1.0 (60)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (187)
       • Backbone-backbone: 1.0 (35)
       • Backbone-side chain: 1.0 (101)
       • Side chain-side chain: 1.0 (51)
     • Long range restraints, | i - j | >= 5 : 1.0 (98)
   • Potential type of restraints: square-well-parabolic (996)
     • Intra-residue restraints, i = j : square-well-parabolic (340)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (371)
       • Backbone-backbone: square-well-parabolic (89)
       • Backbone-side chain: square-well-parabolic (222)
       • Side chain-side chain: square-well-parabolic (60)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (187)
       • Backbone-backbone: square-well-parabolic (35)
       • Backbone-side chain: square-well-parabolic (101)
       • Side chain-side chain: square-well-parabolic (51)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (98)
   • Range of distance target values: 2.33, 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
   • Saveframe: CNS/XPLOR_distance_constraints_3
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 67, Sequence coverage: 3.0%
     • Total number of restraints: 2
       • Total hydrogen bond restraints: 2
     • Weight of restraints: 1.0 (2)
       • Total hydrogen bond restraints: 1.0 (2)
     • Potential type of restraints: square-well-parabolic (2)
       • Total hydrogen bond restraints: square-well-parabolic (2)
     • Range of distance target values: 3.0, 3.0 (Å)
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map