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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Chain assignments

Content subtype: combined_19933_2moc.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 11, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 46
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	67	46	68.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	24	22	91.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	43	24	55.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	2	40.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	2	20.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

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: 11, Sequence coverage: 100.0%

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   • Total number of restraints: 78
     • Intra-residue restraints, i = j : 47
     • Sequential restraints, | i - j | = 1 : 18
       • Backbone-backbone: 17
     • Medium range restraints, 1 < | i - j | < 5 : 13
       • Backbone-backbone: 13
   • Weight of restraints: 1.0 (78)
     • Intra-residue restraints, i = j : 1.0 (47)
     • Sequential restraints, | i - j | = 1 : 1.0 (18)
       • Backbone-backbone: 1.0 (17)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (13)
       • Backbone-backbone: 1.0 (13)
   • Potential type of restraints: upper-bound-parabolic (78)
     • Intra-residue restraints, i = j : upper-bound-parabolic (47)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (18)
       • Backbone-backbone: upper-bound-parabolic (17)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (13)
       • Backbone-backbone: upper-bound-parabolic (13)
   • Range of distance target values: 2.7, 5.0 (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: DYANA/DIANA_distance_constraints_3
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 11, Sequence coverage: 36.4%
     • Total number of restraints: 4
       • Total hydrogen bond restraints: 4
         • O...H-x: 2
         • O...h-N: 2
     • Weight of restraints: 1.0 (4)
       • Total hydrogen bond restraints: 1.0 (4)
         • O...H-x: 1.0 (2)
         • O...h-N: 1.0 (2)
     • Potential type of restraints: upper-bound-parabolic (4)
       • Total hydrogen bond restraints: upper-bound-parabolic (4)
         • O...H-x: upper-bound-parabolic (2)
         • O...h-N: upper-bound-parabolic (2)
     • Range of distance target values: 2.1, 3.2 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 11, Sequence coverage: 100.0%

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   • Total number of restraints: 10
     • Phi angle constraints: 10
   • Total number of restraints per polymer type: 10
     • Protein: 10
   • Weight of restraints: 1.0 (10)
     • Phi angle constraints: 1.0 (10)
   • Potential type of restraints: square-well-parabolic (10)
     • Phi angle constraints: square-well-parabolic (10)
   • Dihedral angle restraints per residue
     • Chain_ID: A