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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SCGSECAPEPDCWGCCLVQCAPSICAGWCGGS
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SCGSECAPEPDCWGCCLVQCAPSICAGWCGGS

Chain assignments

Content subtype: combined_25610_2n2s.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 96.9%

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     SCGSECAPEPDCWGCCLVQCAPSICAGWCGGS
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     .CGSECAPEPDCWGCCLVQCAPSICAGWCGGS
     

   • Total number of assignments
     • ¹H chemical shifts: 145
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	156	145	92.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	63	95.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	90	82	91.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	9	100.0

       • Aromatic group atoms

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

   • 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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 96.9%

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     SCGSECAPEPDCWGCCLVQCAPSICAGWCGGS
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     .CGSECAPEPDCWGCCLVQCAPSICAGWCGGS
     

   • Total number of restraints: 410
     • Intra-residue restraints, i = j : 82
     • Sequential restraints, | i - j | = 1 : 125
       • Backbone-backbone: 30
       • Backbone-side chain: 78
       • Side chain-side chain: 17
     • Medium range restraints, 1 < | i - j | < 5 : 137
       • Backbone-backbone: 44
       • Backbone-side chain: 60
       • Side chain-side chain: 33
     • Long range restraints, | i - j | >= 5 : 66
   • Weight of restraints: 1.0 (410)
     • Intra-residue restraints, i = j : 1.0 (82)
     • Sequential restraints, | i - j | = 1 : 1.0 (125)
       • Backbone-backbone: 1.0 (30)
       • Backbone-side chain: 1.0 (78)
       • Side chain-side chain: 1.0 (17)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (137)
       • Backbone-backbone: 1.0 (44)
       • Backbone-side chain: 1.0 (60)
       • Side chain-side chain: 1.0 (33)
     • Long range restraints, | i - j | >= 5 : 1.0 (66)
   • Potential type of restraints: upper-bound-parabolic (410)
     • Intra-residue restraints, i = j : upper-bound-parabolic (82)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (125)
       • Backbone-backbone: upper-bound-parabolic (30)
       • Backbone-side chain: upper-bound-parabolic (78)
       • Side chain-side chain: upper-bound-parabolic (17)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (137)
       • Backbone-backbone: upper-bound-parabolic (44)
       • Backbone-side chain: upper-bound-parabolic (60)
       • Side chain-side chain: upper-bound-parabolic (33)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (66)
   • Range of distance target values: 2.57, 5.5 (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_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 100.0%

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     SCGSECAPEPDCWGCCLVQCAPSICAGWCGGS
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     SCGSECAPEPDCWGCCLVQCAPSICAGWCGGS
     

   • Total number of restraints: 107
     • Psi angle constraints: 32
     • Phi angle constraints: 46
     • Chi1 angle constraints: 29
   • Total number of restraints per polymer type: 107
     • Protein: 107
   • Weight of restraints: 1.0 (107)
     • Psi angle constraints: 1.0 (32)
     • Phi angle constraints: 1.0 (46)
     • Chi1 angle constraints: 1.0 (29)
   • Potential type of restraints: square-well-parabolic (107)
     • Psi angle constraints: square-well-parabolic (32)
     • Phi angle constraints: square-well-parabolic (46)
     • Chi1 angle constraints: square-well-parabolic (29)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A