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_36098_5xrx.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 108
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	127	107	84.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	32	94.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	93	75	80.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	12	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	8	80.0

   • 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: 17, Sequence coverage: 100.0%

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   • Total number of restraints: 181
     • Intra-residue restraints, i = j : 71
     • Sequential restraints, | i - j | = 1 : 91
       • Backbone-backbone: 29
       • Backbone-side chain: 55
       • Side chain-side chain: 6
     • Medium range restraints, 1 < | i - j | < 5 : 10
       • Backbone-backbone: 7
       • Backbone-side chain: 1
       • Side chain-side chain: 2
     • Long range restraints, | i - j | >= 5 : 9
   • Weight of restraints: 1.0 (181)
     • Intra-residue restraints, i = j : 1.0 (71)
     • Sequential restraints, | i - j | = 1 : 1.0 (91)
       • Backbone-backbone: 1.0 (29)
       • Backbone-side chain: 1.0 (55)
       • Side chain-side chain: 1.0 (6)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (10)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (1)
       • Side chain-side chain: 1.0 (2)
     • Long range restraints, | i - j | >= 5 : 1.0 (9)
   • Potential type of restraints: upper-bound-parabolic (181)
     • Intra-residue restraints, i = j : upper-bound-parabolic (71)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (91)
       • Backbone-backbone: upper-bound-parabolic (29)
       • Backbone-side chain: upper-bound-parabolic (55)
       • Side chain-side chain: upper-bound-parabolic (6)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (10)
       • Backbone-backbone: upper-bound-parabolic (7)
       • Backbone-side chain: upper-bound-parabolic (1)
       • Side chain-side chain: upper-bound-parabolic (2)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (9)
   • Range of distance target values: 2.8, 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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

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   • Total number of restraints: 30
     • Phi angle constraints: 15
     • Psi angle constraints: 15
   • Total number of restraints per polymer type: 30
     • Protein: 30
   • Weight of restraints: 1.0 (30)
     • Phi angle constraints: 1.0 (15)
     • Psi angle constraints: 1.0 (15)
   • Potential type of restraints: square-well-parabolic (30)
     • Phi angle constraints: square-well-parabolic (15)
     • Psi angle constraints: square-well-parabolic (15)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A