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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RGCYTRCWKVGRNGRVCMRVCT
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RGCYTRCWKVGRNGRVCMRVCT

Chain assignments

Content subtype: combined_18085_2llr.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 100.0%

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     RGCYTRCWKVGRNGRVCMRVCT
     

   • Total number of assignments
     • ¹H chemical shifts: 83
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	134	83	61.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	47	44	93.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	87	39	44.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	6	66.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	6	60.0

   • 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: 22, Sequence coverage: 100.0%

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     RGCYTRCWKVGRNGRVCMRVCT
     

   • Total number of restraints: 57
     • Intra-residue restraints, i = j : 19
     • Sequential restraints, | i - j | = 1 : 29
       • Backbone-backbone: 24
       • Backbone-side chain: 5
     • Long range restraints, | i - j | >= 5 : 9
   • Weight of restraints: 1.0 (57)
     • Intra-residue restraints, i = j : 1.0 (19)
     • Sequential restraints, | i - j | = 1 : 1.0 (29)
       • Backbone-backbone: 1.0 (24)
       • Backbone-side chain: 1.0 (5)
     • Long range restraints, | i - j | >= 5 : 1.0 (9)
   • Potential type of restraints: upper-bound-parabolic (57)
     • Intra-residue restraints, i = j : upper-bound-parabolic (19)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (29)
       • Backbone-backbone: upper-bound-parabolic (24)
       • Backbone-side chain: upper-bound-parabolic (5)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (9)
   • Range of distance target values: 2.2, 4.23 (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
   • Saveframe: DYANA/DIANA_distance_constraints_3
     • Status: Warning
     • Experiment type: undefined
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 18.2%
     • Total number of restraints: 6
       • Long range restraints, | i - j | >= 5 : 4
       • Total disulfide bond restraints: 2
     • Weight of restraints: 1.0 (6)
       • Long range restraints, | i - j | >= 5 : 1.0 (4)
       • Total disulfide bond restraints: 1.0 (2)
     • Potential type of restraints: upper-bound-parabolic (6)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (4)
       • Total disulfide bond restraints: upper-bound-parabolic (2)
     • Range of distance target values: 2.1, 3.1 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map
     • Saveframe: DYANA/DIANA_distance_constraints_4
       • Status: Warning
       • Experiment type: noe
       • Sequence coverage of experimental data
         • Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 90.9%

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         RGCYTRCWKVGRNGRVCMRVCT
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         RGCYTRCWKVG.N.RVCMRVCT
         

       • Total number of restraints: 70
         • Intra-residue restraints, i = j : 38
         • Sequential restraints, | i - j | = 1 : 22
           • Backbone-side chain: 22
         • Long range restraints, | i - j | >= 5 : 10
       • Weight of restraints: 1.0 (70)
         • Intra-residue restraints, i = j : 1.0 (38)
         • Sequential restraints, | i - j | = 1 : 1.0 (22)
           • Backbone-side chain: 1.0 (22)
         • Long range restraints, | i - j | >= 5 : 1.0 (10)
       • Potential type of restraints: upper-bound-parabolic (70)
         • Intra-residue restraints, i = j : upper-bound-parabolic (38)
         • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (22)
           • Backbone-side chain: upper-bound-parabolic (22)
         • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (10)
       • Range of distance target values: 2.42, 4.66 (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