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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RQYMRQIEQALRYGYRISRRX
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RQYMRQIEQALRYGYRISRRX

Chain assignments

Content subtype: combined_30263_5v1e.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%

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     RQYMRQIEQALRYGYRISRRX
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     RQYMRQIEQALRYGYRISRRX
     

   • Total number of assignments
     • ¹H chemical shifts: 94
     • ¹³C chemical shifts: 20
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	148	93	62.8
         13C chemical shifts	98	20	20.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	38	92.7
         13C chemical shifts	40	20	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	107	55	51.4
         13C chemical shifts	58	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	7	87.5
         13C chemical shifts	8	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	6	50.0
         13C chemical shifts	12	0	0.0

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 95.2%

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     RQYMRQIEQALRYGYRISRRX
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     RQYMRQIEQALRYGYRISRR 
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   • Total number of restraints: 619
     • Intra-residue restraints, i = j : 381
     • Sequential restraints, | i - j | = 1 : 187
       • Backbone-backbone: 38
       • Backbone-side chain: 90
       • Side chain-side chain: 57
     • Medium range restraints, 1 < | i - j | < 5 : 51
       • Backbone-backbone: 23
       • Backbone-side chain: 24
       • Side chain-side chain: 4
   • Weight of restraints: 1.0 (619)
     • Intra-residue restraints, i = j : 1.0 (381)
     • Sequential restraints, | i - j | = 1 : 1.0 (187)
       • Backbone-backbone: 1.0 (38)
       • Backbone-side chain: 1.0 (90)
       • Side chain-side chain: 1.0 (57)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (51)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (24)
       • Side chain-side chain: 1.0 (4)
   • Potential type of restraints: square-well-parabolic (619)
     • Intra-residue restraints, i = j : square-well-parabolic (381)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (187)
       • Backbone-backbone: square-well-parabolic (38)
       • Backbone-side chain: square-well-parabolic (90)
       • Side chain-side chain: square-well-parabolic (57)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (51)
       • Backbone-backbone: square-well-parabolic (23)
       • Backbone-side chain: square-well-parabolic (24)
       • Side chain-side chain: square-well-parabolic (4)
   • Range of distance target values: 2.3, 3.4 (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