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-----
HAWYSHYVLKFFLLVFGENGVFFYK
|||||||||||||||||||||||||
HAWYSHYVLKFFLLVFGENGVFFYK

Chain assignments

Content subtype: combined_19765_2mkb.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 100.0%

     --------10--------20-----
     HAWYSHYVLKFFLLVFGENGVFFYK
     |||||||||||||||||||||||||
     HAWYSHYVLKFFLLVFGENGVFFYK
     

   • Total number of assignments
     • ¹H chemical shifts: 149
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	172	149	86.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	52	51	98.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	120	98	81.7

       • 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	47	26	55.3

   • 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: 25, Sequence coverage: 100.0%

     --------10--------20-----
     HAWYSHYVLKFFLLVFGENGVFFYK
     |||||||||||||||||||||||||
     HAWYSHYVLKFFLLVFGENGVFFYK
     

   • Total number of restraints: 187
     • Sequential restraints, | i - j | = 1 : 97
       • Backbone-backbone: 48
       • Backbone-side chain: 49
     • Medium range restraints, 1 < | i - j | < 5 : 90
       • Backbone-backbone: 48
       • Backbone-side chain: 27
       • Side chain-side chain: 15
   • Weight of restraints: 1.0 (187)
     • Sequential restraints, | i - j | = 1 : 1.0 (97)
       • Backbone-backbone: 1.0 (48)
       • Backbone-side chain: 1.0 (49)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (90)
       • Backbone-backbone: 1.0 (48)
       • Backbone-side chain: 1.0 (27)
       • Side chain-side chain: 1.0 (15)
   • Potential type of restraints: square-well-parabolic (187)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (97)
       • Backbone-backbone: square-well-parabolic (48)
       • Backbone-side chain: square-well-parabolic (49)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (90)
       • Backbone-backbone: square-well-parabolic (48)
       • Backbone-side chain: square-well-parabolic (27)
       • Side chain-side chain: square-well-parabolic (15)
   • Range of distance target values: 2.45, 5.85 (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