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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GGAGHVPEYFVRGDTPISFYG
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GGAGHVPEYFVRGDTPISFYG

Chain assignments

Content subtype: combined_21000_2mmw.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%

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     GGAGHVPEYFVRGDTPISFYG
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     GGAGHVPEYFVRGDTPISFYG
     

   • Total number of assignments
     • ¹H chemical shifts: 98
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	116	97	83.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	45	43	95.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	71	54	76.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	7	87.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	7	35.0

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%

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     GGAGHVPEYFVRGDTPISFYG
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     GGAGHVPEYFVRGDTPISFYG
     

   • Total number of restraints: 139
     • Intra-residue restraints, i = j : 4
     • Sequential restraints, | i - j | = 1 : 56
       • Backbone-backbone: 24
       • Backbone-side chain: 29
       • Side chain-side chain: 2
     • Medium range restraints, 1 < | i - j | < 5 : 8
       • Backbone-backbone: 1
       • Side chain-side chain: 7
     • Long range restraints, | i - j | >= 5 : 69
     • Total hydrogen bond restraints: 2
   • Weight of restraints: 1.0 (139)
     • Intra-residue restraints, i = j : 1.0 (4)
     • Sequential restraints, | i - j | = 1 : 1.0 (56)
       • Backbone-backbone: 1.0 (24)
       • Backbone-side chain: 1.0 (29)
       • Side chain-side chain: 1.0 (2)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (8)
       • Backbone-backbone: 1.0 (1)
       • Side chain-side chain: 1.0 (7)
     • Long range restraints, | i - j | >= 5 : 1.0 (69)
     • Total hydrogen bond restraints: 1.0 (2)
   • Potential type of restraints: upper-bound-parabolic (139)
     • Intra-residue restraints, i = j : upper-bound-parabolic (4)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (56)
       • Backbone-backbone: upper-bound-parabolic (24)
       • Backbone-side chain: upper-bound-parabolic (29)
       • Side chain-side chain: upper-bound-parabolic (2)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (8)
       • Backbone-backbone: upper-bound-parabolic (1)
       • Side chain-side chain: upper-bound-parabolic (7)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (69)
     • Total hydrogen bond restraints: upper-bound-parabolic (2)
   • Range of distance target values: 1.33, 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