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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RALRRLARKIAHAVKKYG
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RALRRLARKIAHAVKKYG

Chain assignments

Content subtype: combined_36148_5z2o.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 94.4%

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     RALRRLARKIAHAVKKYG
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     .ALRRLARKIAHAVKKYG
     

   • Total number of assignments
     • ¹H chemical shifts: 107
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	121	107	88.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	37	34	91.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	84	73	86.9

       • Methyl group atoms

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

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	4	66.7

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

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: 18, Sequence coverage: 94.4%

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     RALRRLARKIAHAVKKYG
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     .ALRRLARKIAHAVKKYG
     

   • Total number of restraints: 426
     • Intra-residue restraints, i = j : 145
     • Sequential restraints, | i - j | = 1 : 143
       • Backbone-backbone: 25
       • Backbone-side chain: 88
       • Side chain-side chain: 30
     • Medium range restraints, 1 < | i - j | < 5 : 138
       • Backbone-backbone: 49
       • Backbone-side chain: 60
       • Side chain-side chain: 29
   • Weight of restraints: 1.0 (426)
     • Intra-residue restraints, i = j : 1.0 (145)
     • Sequential restraints, | i - j | = 1 : 1.0 (143)
       • Backbone-backbone: 1.0 (25)
       • Backbone-side chain: 1.0 (88)
       • Side chain-side chain: 1.0 (30)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (138)
       • Backbone-backbone: 1.0 (49)
       • Backbone-side chain: 1.0 (60)
       • Side chain-side chain: 1.0 (29)
   • Potential type of restraints: upper-bound-parabolic (426)
     • Intra-residue restraints, i = j : upper-bound-parabolic (145)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (143)
       • Backbone-backbone: upper-bound-parabolic (25)
       • Backbone-side chain: upper-bound-parabolic (88)
       • Side chain-side chain: upper-bound-parabolic (30)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (138)
       • Backbone-backbone: upper-bound-parabolic (49)
       • Backbone-side chain: upper-bound-parabolic (60)
       • Side chain-side chain: upper-bound-parabolic (29)
   • Range of distance target values: 2.37, 5.5 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A