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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VARGWKRKCPLFGKGG
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VARGWKRKCPLFGKGG

Chain assignments

Content subtype: combined_25911_2n9m.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 93.8%

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     .ARGWKRKCPLFGKGG
     

   • Total number of assignments
     • ¹H chemical shifts: 76
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	105	76	72.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	35	32	91.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	70	44	62.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	3	60.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	3	27.3

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 100.0%

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   • Total number of restraints: 129
     • Intra-residue restraints, i = j : 46
     • Sequential restraints, | i - j | = 1 : 75
       • Backbone-backbone: 28
       • Backbone-side chain: 47
     • Medium range restraints, 1 < | i - j | < 5 : 4
       • Backbone-backbone: 1
       • Side chain-side chain: 3
     • Long range restraints, | i - j | >= 5 : 4
   • Weight of restraints: 1.0 (129)
     • Intra-residue restraints, i = j : 1.0 (46)
     • Sequential restraints, | i - j | = 1 : 1.0 (75)
       • Backbone-backbone: 1.0 (28)
       • Backbone-side chain: 1.0 (47)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (4)
       • Backbone-backbone: 1.0 (1)
       • Side chain-side chain: 1.0 (3)
     • Long range restraints, | i - j | >= 5 : 1.0 (4)
   • Potential type of restraints: upper-bound-parabolic (129)
     • Intra-residue restraints, i = j : upper-bound-parabolic (46)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (75)
       • Backbone-backbone: upper-bound-parabolic (28)
       • Backbone-side chain: upper-bound-parabolic (47)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (4)
       • Backbone-backbone: upper-bound-parabolic (1)
       • Side chain-side chain: upper-bound-parabolic (3)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (4)
   • Range of distance target values: 3.5, 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_2
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 100.0%

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     VARGWKRKCPLFGKGG
     

   • Total number of restraints: 26
     • Phi angle constraints: 13
     • Psi angle constraints: 13
   • Total number of restraints per polymer type: 26
     • Protein: 26
   • Weight of restraints: 1.0 (26)
     • Phi angle constraints: 1.0 (13)
     • Psi angle constraints: 1.0 (13)
   • Potential type of restraints: square-well-parabolic (26)
     • Phi angle constraints: square-well-parabolic (13)
     • Psi angle constraints: square-well-parabolic (13)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A