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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GGAGHVPEYFVRGDFPISFYG
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GGAGHVPEYFVRGDFPISFYG

Chain assignments

Content subtype: combined_19865_2mmt.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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     GGAGHVPEYFVRGDFPISFYG
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     GGAGHVPEYFVRGDFPISFYG
     

   • Total number of assignments
     • ¹H chemical shifts: 116
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	121	115	95.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	45	44	97.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	76	71	93.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	7	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	20	80.0

   • 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%

     --------10--------20-
     GGAGHVPEYFVRGDFPISFYG
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     GGAGHVPEYFVRGDFPISFYG
     

   • Total number of restraints: 155
     • Intra-residue restraints, i = j : 79
     • Sequential restraints, | i - j | = 1 : 41
       • Backbone-backbone: 21
       • Backbone-side chain: 18
       • Side chain-side chain: 1
     • Medium range restraints, 1 < | i - j | < 5 : 2
       • Side chain-side chain: 2
     • Long range restraints, | i - j | >= 5 : 31
     • Total hydrogen bond restraints: 2
   • Weight of restraints: 1.0 (155)
     • Intra-residue restraints, i = j : 1.0 (79)
     • Sequential restraints, | i - j | = 1 : 1.0 (41)
       • Backbone-backbone: 1.0 (21)
       • Backbone-side chain: 1.0 (18)
       • Side chain-side chain: 1.0 (1)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (2)
       • Side chain-side chain: 1.0 (2)
     • Long range restraints, | i - j | >= 5 : 1.0 (31)
     • Total hydrogen bond restraints: 1.0 (2)
   • Potential type of restraints: upper-bound-parabolic (155)
     • Intra-residue restraints, i = j : upper-bound-parabolic (79)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (41)
       • Backbone-backbone: upper-bound-parabolic (21)
       • Backbone-side chain: upper-bound-parabolic (18)
       • Side chain-side chain: upper-bound-parabolic (1)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (2)
       • Side chain-side chain: upper-bound-parabolic (2)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (31)
     • Total hydrogen bond restraints: upper-bound-parabolic (2)
   • Range of distance target values: 1.33, 4.88 (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