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

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CGETCVGGTCNTPGCTCSWPVCGHFRWGV
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CGETCVGGTCNTPGCTCSWPVCGHFRWGV

Chain assignments

Content subtype: combined_18536_2lur.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 138
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	147	137	93.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	62	61	98.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	85	76	89.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	9	90.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	12	63.2

   • 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: 29, Sequence coverage: 100.0%

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   • Total number of restraints: 434
     • Intra-residue restraints, i = j : 112
     • Sequential restraints, | i - j | = 1 : 185
       • Backbone-backbone: 38
       • Backbone-side chain: 99
       • Side chain-side chain: 47
     • Medium range restraints, 1 < | i - j | < 5 : 65
       • Backbone-backbone: 9
       • Backbone-side chain: 22
       • Side chain-side chain: 34
     • Long range restraints, | i - j | >= 5 : 72
   • Weight of restraints: 1.0 (434)
     • Intra-residue restraints, i = j : 1.0 (112)
     • Sequential restraints, | i - j | = 1 : 1.0 (185)
       • Backbone-backbone: 1.0 (38)
       • Backbone-side chain: 1.0 (99)
       • Side chain-side chain: 1.0 (47)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (65)
       • Backbone-backbone: 1.0 (9)
       • Backbone-side chain: 1.0 (22)
       • Side chain-side chain: 1.0 (34)
     • Long range restraints, | i - j | >= 5 : 1.0 (72)
   • Potential type of restraints: upper-bound-parabolic (434)
     • Intra-residue restraints, i = j : upper-bound-parabolic (112)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (185)
       • Backbone-backbone: upper-bound-parabolic (38)
       • Backbone-side chain: upper-bound-parabolic (99)
       • Side chain-side chain: upper-bound-parabolic (47)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (65)
       • Backbone-backbone: upper-bound-parabolic (9)
       • Backbone-side chain: upper-bound-parabolic (22)
       • Side chain-side chain: upper-bound-parabolic (34)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (72)
   • Range of distance target values: 2.68, 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