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_18619_2lwc.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shift_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 5, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 28
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	30	28	93.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	11	91.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	17	94.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	1	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	9	100.0

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

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: 5, Sequence coverage: 100.0%

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   • Total number of restraints: 77
     • Intra-residue restraints, i = j : 17
     • Sequential restraints, | i - j | = 1 : 43
       • Backbone-backbone: 7
       • Backbone-side chain: 24
       • Side chain-side chain: 12
     • Medium range restraints, 1 < | i - j | < 5 : 17
       • Backbone-backbone: 4
       • Backbone-side chain: 11
       • Side chain-side chain: 2
   • Weight of restraints: 1.0 (77)
     • Intra-residue restraints, i = j : 1.0 (17)
     • Sequential restraints, | i - j | = 1 : 1.0 (43)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (24)
       • Side chain-side chain: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (17)
       • Backbone-backbone: 1.0 (4)
       • Backbone-side chain: 1.0 (11)
       • Side chain-side chain: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (77)
     • Intra-residue restraints, i = j : square-well-parabolic (17)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (43)
       • Backbone-backbone: square-well-parabolic (7)
       • Backbone-side chain: square-well-parabolic (24)
       • Side chain-side chain: square-well-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (17)
       • Backbone-backbone: square-well-parabolic (4)
       • Backbone-side chain: square-well-parabolic (11)
       • Side chain-side chain: square-well-parabolic (2)
   • Range of distance target values: 2.2, 4.9 (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

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 5, Sequence coverage: 60.0%

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   • Total number of restraints: 2
     • Phi angle constraints: 2
   • Total number of restraints per polymer type: 2
     • Protein: 2
   • Weight of restraints: 1.0 (2)
     • Phi angle constraints: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (2)
     • Phi angle constraints: square-well-parabolic (2)
   • Dihedral angle restraints per residue
     • Chain_ID: A