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-------
ADDKCEDSLRREIACTKCRDRVRTDDYFYECCTSESTFKKCQTMLHQ
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ADDKCEDSLRREIACTKCRDRVRTDDYFYECCTSESTFKKCQTMLHQ

Chain assignments

Content subtype: combined_25283_2mvt.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 47, Sequence coverage: 100.0%

     --------10--------20--------30--------40-------
     ADDKCEDSLRREIACTKCRDRVRTDDYFYECCTSESTFKKCQTMLHQ
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     ADDKCEDSLRREIACTKCRDRVRTDDYFYECCTSESTFKKCQTMLHQ
     

   • Total number of assignments
     • ¹H chemical shifts: 217
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	284	217	76.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	94	92	97.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	190	125	65.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	13	81.2

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	4	20.0

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

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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: 47, Sequence coverage: 100.0%

     --------10--------20--------30--------40-------
     ADDKCEDSLRREIACTKCRDRVRTDDYFYECCTSESTFKKCQTMLHQ
     |||||||||||||||||||||||||||||||||||||||||||||||
     ADDKCEDSLRREIACTKCRDRVRTDDYFYECCTSESTFKKCQTMLHQ
     

   • Total number of restraints: 768
     • Intra-residue restraints, i = j : 164
     • Sequential restraints, | i - j | = 1 : 261
       • Backbone-backbone: 105
       • Backbone-side chain: 156
     • Medium range restraints, 1 < | i - j | < 5 : 283
       • Backbone-backbone: 153
       • Backbone-side chain: 129
       • Side chain-side chain: 1
     • Long range restraints, | i - j | >= 5 : 60
   • Weight of restraints: 1.0 (768)
     • Intra-residue restraints, i = j : 1.0 (164)
     • Sequential restraints, | i - j | = 1 : 1.0 (261)
       • Backbone-backbone: 1.0 (105)
       • Backbone-side chain: 1.0 (156)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (283)
       • Backbone-backbone: 1.0 (153)
       • Backbone-side chain: 1.0 (129)
       • Side chain-side chain: 1.0 (1)
     • Long range restraints, | i - j | >= 5 : 1.0 (60)
   • Potential type of restraints: square-well-parabolic (768)
     • Intra-residue restraints, i = j : square-well-parabolic (164)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (261)
       • Backbone-backbone: square-well-parabolic (105)
       • Backbone-side chain: square-well-parabolic (156)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (283)
       • Backbone-backbone: square-well-parabolic (153)
       • Backbone-side chain: square-well-parabolic (129)
       • Side chain-side chain: square-well-parabolic (1)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (60)
   • Range of distance target values: 2.4, 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