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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DCFXKYCV
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DCFXKYCV
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Chain assignments

Content subtype: combined_34319_6hvb.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 100.0%

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     DCFXKYCV
     

   • Total number of assignments
     • ¹H chemical shifts: 54
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         7	E9M

       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         8	LYS	HZ1	7.249
         8	LYS	HZ2	7.249
         8	LYS	HZ3	7.249

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	44	42	95.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	13	92.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	30	29	96.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	2	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

   • 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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 87.5%

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     DCF.KYCV
     

   • Total number of restraints: 65
     • Intra-residue restraints, i = j : 27
     • Sequential restraints, | i - j | = 1 : 28
       • Backbone-backbone: 5
       • Backbone-side chain: 13
       • Side chain-side chain: 10
     • Medium range restraints, 1 < | i - j | < 5 : 4
       • Backbone-backbone: 2
       • Side chain-side chain: 2
     • Long range restraints, | i - j | >= 5 : 6
   • Weight of restraints: 1.0 (65)
     • Intra-residue restraints, i = j : 1.0 (27)
     • Sequential restraints, | i - j | = 1 : 1.0 (28)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (13)
       • Side chain-side chain: 1.0 (10)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (4)
       • Backbone-backbone: 1.0 (2)
       • Side chain-side chain: 1.0 (2)
     • Long range restraints, | i - j | >= 5 : 1.0 (6)
   • Potential type of restraints: upper-bound-parabolic (65)
     • Intra-residue restraints, i = j : upper-bound-parabolic (27)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (28)
       • Backbone-backbone: upper-bound-parabolic (5)
       • Backbone-side chain: upper-bound-parabolic (13)
       • Side chain-side chain: upper-bound-parabolic (10)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (4)
       • Backbone-backbone: upper-bound-parabolic (2)
       • Side chain-side chain: upper-bound-parabolic (2)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (6)
   • Range of distance target values: 2.74, 8.5 (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