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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XVARGWKRKCPLFGKGG
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XVARGWKRKCPLFGKGG

Chain assignments

Content subtype: combined_25749_2n63.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: 94.1%

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     XVARGWKRKCPLFGKGG
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     .VARGWKRKCPLFGKGG
     

   • Total number of assignments
     • ¹H chemical shifts: 91
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         1	PTL

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	105	91	86.7

       • 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	59	84.3

       • 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	10	90.9

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

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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: 17, Sequence coverage: 94.1%

     --------10-------
     XVARGWKRKCPLFGKGG
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     .VARGWKRKCPLFGKGG
     

   • Total number of restraints: 184
     • Intra-residue restraints, i = j : 56
     • Sequential restraints, | i - j | = 1 : 96
       • Backbone-backbone: 28
       • Backbone-side chain: 48
       • Side chain-side chain: 20
     • Medium range restraints, 1 < | i - j | < 5 : 8
       • Backbone-backbone: 1
       • Backbone-side chain: 3
       • Side chain-side chain: 4
     • Long range restraints, | i - j | >= 5 : 24
   • Weight of restraints: 1.0 (184)
     • Intra-residue restraints, i = j : 1.0 (56)
     • Sequential restraints, | i - j | = 1 : 1.0 (96)
       • Backbone-backbone: 1.0 (28)
       • Backbone-side chain: 1.0 (48)
       • Side chain-side chain: 1.0 (20)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (8)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (3)
       • Side chain-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (24)
   • Potential type of restraints: upper-bound-parabolic (184)
     • Intra-residue restraints, i = j : upper-bound-parabolic (56)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (96)
       • Backbone-backbone: upper-bound-parabolic (28)
       • Backbone-side chain: upper-bound-parabolic (48)
       • Side chain-side chain: upper-bound-parabolic (20)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (8)
       • Backbone-backbone: upper-bound-parabolic (1)
       • Backbone-side chain: upper-bound-parabolic (3)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (24)
   • Range of distance target values: 3.3, 5.3 (Å)
   • Histogram of 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: 17, Sequence coverage: 94.1%

     --------10-------
     XVARGWKRKCPLFGKGG
      ||||||||||||||||
     .VARGWKRKCPLFGKGG
     

   • Total number of restraints: 27
     • Psi angle constraints: 14
     • Phi angle constraints: 13
   • Total number of restraints per polymer type: 27
     • Protein: 27
   • Weight of restraints: 1.0 (27)
     • Psi angle constraints: 1.0 (14)
     • Phi angle constraints: 1.0 (13)
   • Potential type of restraints: square-well-parabolic (27)
     • Psi angle constraints: square-well-parabolic (14)
     • Phi angle constraints: square-well-parabolic (13)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A