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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TVYVYSRVK
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TVYVYSRVK

Chain assignments

Content subtype: combined_36074_5xes.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 9, Sequence coverage: 100.0%

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     TVYVYSRVK
     

   • Total number of assignments
     • ¹H chemical shifts: 36
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	58	36	62.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	9	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	40	27	67.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	7	100.0

       • Aromatic group atoms

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

   • 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_4
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 9, Sequence coverage: 100.0%

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     TVYVYSRVK
     

   • Total number of restraints: 70
     • Intra-residue restraints, i = j : 29
     • Sequential restraints, | i - j | = 1 : 34
       • Backbone-backbone: 15
       • Backbone-side chain: 18
     • Medium range restraints, 1 < | i - j | < 5 : 7
       • Backbone-backbone: 4
       • Backbone-side chain: 3
   • Weight of restraints: 1.0 (70)
     • Intra-residue restraints, i = j : 1.0 (29)
     • Sequential restraints, | i - j | = 1 : 1.0 (34)
       • Backbone-backbone: 1.0 (15)
       • Backbone-side chain: 1.0 (18)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (7)
       • Backbone-backbone: 1.0 (4)
       • Backbone-side chain: 1.0 (3)
   • Potential type of restraints: upper-bound-parabolic (70)
     • Intra-residue restraints, i = j : upper-bound-parabolic (29)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (34)
       • Backbone-backbone: upper-bound-parabolic (15)
       • Backbone-side chain: upper-bound-parabolic (18)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (7)
       • Backbone-backbone: upper-bound-parabolic (4)
       • Backbone-side chain: upper-bound-parabolic (3)
   • Range of distance target values: 2.8, 5.3 (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: 9, Sequence coverage: 77.8%

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     TVYVYSR  
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   • Total number of restraints: 10
     • Phi angle constraints: 5
     • Psi angle constraints: 5
   • Total number of restraints per polymer type: 10
     • Protein: 10
   • Weight of restraints: 1.0 (10)
     • Phi angle constraints: 1.0 (5)
     • Psi angle constraints: 1.0 (5)
   • Potential type of restraints: square-well-parabolic (10)
     • Phi angle constraints: square-well-parabolic (5)
     • Psi angle constraints: square-well-parabolic (5)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A