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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KYEITTIHNLFRKLTHRLFRR
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KYEITTIHNLFRKLTHRLFRR

Chain assignments

Content subtype: combined_26036_2ncu.nef

Assigned chemical shifts

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

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     KYEITTIHNLFRKLTHRLFRR
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     KYEITTIHNLFRKLTHRLFRR
     

   • Total number of assignments
     • ¹H chemical shifts: 139
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	153	131	85.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	42	40	95.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	111	91	82.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	13	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	12	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_4
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 100.0%

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     KYEITTIHNLFRKLTHRLFRR
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     KYEITTIHNLFRKLTHRLFRR
     

   • Total number of restraints: 249
     • Intra-residue restraints, i = j : 89
     • Sequential restraints, | i - j | = 1 : 113
       • Backbone-backbone: 39
       • Backbone-side chain: 68
       • Side chain-side chain: 5
     • Medium range restraints, 1 < | i - j | < 5 : 36
       • Backbone-backbone: 26
       • Backbone-side chain: 4
       • Side chain-side chain: 6
     • Long range restraints, | i - j | >= 5 : 11
   • Weight of restraints: 1.0 (249)
     • Intra-residue restraints, i = j : 1.0 (89)
     • Sequential restraints, | i - j | = 1 : 1.0 (113)
       • Backbone-backbone: 1.0 (39)
       • Backbone-side chain: 1.0 (68)
       • Side chain-side chain: 1.0 (5)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (36)
       • Backbone-backbone: 1.0 (26)
       • Backbone-side chain: 1.0 (4)
       • Side chain-side chain: 1.0 (6)
     • Long range restraints, | i - j | >= 5 : 1.0 (11)
   • Potential type of restraints: upper-bound-parabolic (249)
     • Intra-residue restraints, i = j : upper-bound-parabolic (89)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (113)
       • Backbone-backbone: upper-bound-parabolic (39)
       • Backbone-side chain: upper-bound-parabolic (68)
       • Side chain-side chain: upper-bound-parabolic (5)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (36)
       • Backbone-backbone: upper-bound-parabolic (26)
       • Backbone-side chain: upper-bound-parabolic (4)
       • Side chain-side chain: upper-bound-parabolic (6)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (11)
   • Range of distance target values: 2.8, 5.3 (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: 21, Sequence coverage: 100.0%

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     KYEITTIHNLFRKLTHRLFRR
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     KYEITTIHNLFRKLTHRLFRR
     

   • Total number of restraints: 39
     • Phi angle constraints: 20
     • Psi angle constraints: 19
   • Total number of restraints per polymer type: 39
     • Protein: 39
   • Weight of restraints: 1.0 (39)
     • Phi angle constraints: 1.0 (20)
     • Psi angle constraints: 1.0 (19)
   • Potential type of restraints: square-well-parabolic (39)
     • Phi angle constraints: square-well-parabolic (20)
     • Psi angle constraints: square-well-parabolic (19)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A