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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VARGWKRKCPLFGKGGG
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VARGWKRKCPLFGKGG 
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Chain assignments

Content subtype: combined_25335_2mwl.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

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     VARGWKRKCPLFGKGGG
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     VARGWKRKCPLFGKGGG
     

   • Total number of assignments
     • ¹H chemical shifts: 92
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	108	90	83.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	38	32	84.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	70	58	82.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	5	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	7	63.6

   • 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_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 94.1%

     --------10-------
     VARGWKRKCPLFGKGGG
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     VARGWKRKCPLFGKGG 
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   • Total number of restraints: 153
     • 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 : 14
       • Backbone-backbone: 3
       • Backbone-side chain: 6
       • Side chain-side chain: 5
     • Long range restraints, | i - j | >= 5 : 18
   • Weight of restraints: 1.0 (153)
     • 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 (14)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (6)
       • Side chain-side chain: 1.0 (5)
     • Long range restraints, | i - j | >= 5 : 1.0 (18)
   • Potential type of restraints: upper-bound-parabolic (153)
     • 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 (14)
       • Backbone-backbone: upper-bound-parabolic (3)
       • Backbone-side chain: upper-bound-parabolic (6)
       • Side chain-side chain: upper-bound-parabolic (5)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (18)
   • 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_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 94.1%

     --------10-------
     VARGWKRKCPLFGKGGG
     |||||||||||||||| 
     VARGWKRKCPLFGKGG 
     --------10------ 
     

   • 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