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

--------10--------20--------30--------40
MKVHRMPKGVVLVGKAWEIRAKLKEYGRTFQYVKDWISKP
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MKVHRMPKGVVLVGKAWEIRAKLKEYGRTFQYVKDWISKP

Chain assignments

Content subtype: combined_25096_2mrw.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 40, Sequence coverage: 100.0%

     --------10--------20--------30--------40
     MKVHRMPKGVVLVGKAWEIRAKLKEYGRTFQYVKDWISKP
     ||||||||||||||||||||||||||||||||||||||||
     MKVHRMPKGVVLVGKAWEIRAKLKEYGRTFQYVKDWISKP
     

   • Total number of assignments
     • ¹H chemical shifts: 227
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         4	HIS	HE2	8.315

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	276	226	81.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	81	78	96.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	195	148	75.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	23	18	78.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	27	19	70.4

   • 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: 40, Sequence coverage: 90.0%

     --------10--------20--------30--------40
     MKVHRMPKGVVLVGKAWEIRAKLKEYGRTFQYVKDWISKP
       ||||||||||| |||||||||||||||||||||||| |
     ..VHRMPKGVVLV.KAWEIRAKLKEYGRTFQYVKDWIS.P
     

   • Total number of restraints: 220
     • Intra-residue restraints, i = j : 61
     • Sequential restraints, | i - j | = 1 : 70
       • Backbone-backbone: 46
       • Backbone-side chain: 10
       • Side chain-side chain: 14
     • Medium range restraints, 1 < | i - j | < 5 : 89
       • Backbone-backbone: 44
       • Backbone-side chain: 27
       • Side chain-side chain: 18
   • Weight of restraints: 1.0 (220)
     • Intra-residue restraints, i = j : 1.0 (61)
     • Sequential restraints, | i - j | = 1 : 1.0 (70)
       • Backbone-backbone: 1.0 (46)
       • Backbone-side chain: 1.0 (10)
       • Side chain-side chain: 1.0 (14)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (89)
       • Backbone-backbone: 1.0 (44)
       • Backbone-side chain: 1.0 (27)
       • Side chain-side chain: 1.0 (18)
   • Potential type of restraints: upper-bound-parabolic (220)
     • Intra-residue restraints, i = j : upper-bound-parabolic (61)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (70)
       • Backbone-backbone: upper-bound-parabolic (46)
       • Backbone-side chain: upper-bound-parabolic (10)
       • Side chain-side chain: upper-bound-parabolic (14)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (89)
       • Backbone-backbone: upper-bound-parabolic (44)
       • Backbone-side chain: upper-bound-parabolic (27)
       • Side chain-side chain: upper-bound-parabolic (18)
   • Range of distance target values: 2.81, 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