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------
TWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQ
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TWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQ

Chain assignments

Content subtype: combined_19702_2mj2.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 36, Sequence coverage: 97.2%

     --------10--------20--------30------
     TWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQ
      |||||||||||||||||||||||||||||||||||
     .WSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQ
     

   • Total number of assignments
     • ¹H chemical shifts: 218
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	234	218	93.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	75	73	97.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	159	145	91.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	19	95.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	21	17	81.0

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

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 36, Sequence coverage: 97.2%

     --------10--------20--------30------
     TWSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQ
      |||||||||||||||||||||||||||||||||||
     .WSGTKKRAQRILIFLLEFLLDFCTGEDSVDGKKRQ
     

   • Total number of restraints: 563
     • Intra-residue restraints, i = j : 378
     • Sequential restraints, | i - j | = 1 : 117
       • Backbone-backbone: 49
       • Backbone-side chain: 59
       • Side chain-side chain: 9
     • Medium range restraints, 1 < | i - j | < 5 : 68
       • Backbone-backbone: 29
       • Backbone-side chain: 38
       • Side chain-side chain: 1
   • Weight of restraints: 1.0 (563)
     • Intra-residue restraints, i = j : 1.0 (378)
     • Sequential restraints, | i - j | = 1 : 1.0 (117)
       • Backbone-backbone: 1.0 (49)
       • Backbone-side chain: 1.0 (59)
       • Side chain-side chain: 1.0 (9)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (68)
       • Backbone-backbone: 1.0 (29)
       • Backbone-side chain: 1.0 (38)
       • Side chain-side chain: 1.0 (1)
   • Potential type of restraints: square-well-parabolic (563)
     • Intra-residue restraints, i = j : square-well-parabolic (378)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (117)
       • Backbone-backbone: square-well-parabolic (49)
       • Backbone-side chain: square-well-parabolic (59)
       • Side chain-side chain: square-well-parabolic (9)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (68)
       • Backbone-backbone: square-well-parabolic (29)
       • Backbone-side chain: square-well-parabolic (38)
       • Side chain-side chain: square-well-parabolic (1)
   • Range of distance target values: 1.81, 3.9 (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