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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TDPEEHFDPNTNCDYTNSQDAWDYCTNYIVNSSCGEICCNDCFDETGTGACRAQAFGNSCLNW
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TDPEEHFDPNTNCDYTNSQDAWDYCTNYIVNSSCGEICCNDCFDETGTGACRAQAFGNSCLNW

Chain assignments

Content subtype: combined_15058_2jms.nef

Assigned chemical shifts

1. Saveframe: EN6_NMR-STAR
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 63, Sequence coverage: 100.0%

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     TDPEEHFDPNTNCDYTNSQDAWDYCTNYIVNSSCGEICCNDCFDETGTGACRAQAFGNSCLNW
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     TDPEEHFDPNTNCDYTNSQDAWDYCTNYIVNSSCGEICCNDCFDETGTGACRAQAFGNSCLNW
     

   • Total number of assignments
     • ¹H chemical shifts: 310
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         52	ARG	HH21	6.454

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	338	309	91.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	128	126	98.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	210	183	87.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	17	94.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	27	65.9

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 63, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50--------60---
     TDPEEHFDPNTNCDYTNSQDAWDYCTNYIVNSSCGEICCNDCFDETGTGACRAQAFGNSCLNW
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     TDPEEHFDPNTNCDYTNSQDAWDYCTNYIVNSSCGEICCNDCFDETGTGACRAQAFGNSCLNW
     

   • Total number of restraints: 931
     • Intra-residue restraints, i = j : 273
     • Sequential restraints, | i - j | = 1 : 219
       • Backbone-backbone: 66
       • Backbone-side chain: 122
       • Side chain-side chain: 31
     • Medium range restraints, 1 < | i - j | < 5 : 168
       • Backbone-backbone: 44
       • Backbone-side chain: 69
       • Side chain-side chain: 55
     • Long range restraints, | i - j | >= 5 : 271
   • Weight of restraints: 1.0 (931)
     • Intra-residue restraints, i = j : 1.0 (273)
     • Sequential restraints, | i - j | = 1 : 1.0 (219)
       • Backbone-backbone: 1.0 (66)
       • Backbone-side chain: 1.0 (122)
       • Side chain-side chain: 1.0 (31)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (168)
       • Backbone-backbone: 1.0 (44)
       • Backbone-side chain: 1.0 (69)
       • Side chain-side chain: 1.0 (55)
     • Long range restraints, | i - j | >= 5 : 1.0 (271)
   • Potential type of restraints: upper-bound-parabolic (931)
     • Intra-residue restraints, i = j : upper-bound-parabolic (273)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (219)
       • Backbone-backbone: upper-bound-parabolic (66)
       • Backbone-side chain: upper-bound-parabolic (122)
       • Side chain-side chain: upper-bound-parabolic (31)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (168)
       • Backbone-backbone: upper-bound-parabolic (44)
       • Backbone-side chain: upper-bound-parabolic (69)
       • Side chain-side chain: upper-bound-parabolic (55)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (271)
   • Range of distance target values: 2.4, 5.48 (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