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

-----440-------450-------460
SEWTERKTADGKTYYYNNRTAESTWEKP
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SEWTERKTADGKTYYYNNRTAESTWEKP
--------10--------20--------

Chain assignments

Content subtype: combined_25314_2mwe.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 28, Sequence coverage: 100.0%

     -----440-------450-------460
     SEWTERKTADGKTYYYNNRTAESTWEKP
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     SEWTERKTADGKTYYYNNRTAESTWEKP
     

   • Total number of assignments
     • ¹H chemical shifts: 154
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	176	154	87.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	56	55	98.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	120	99	82.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	7	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	24	18	75.0

   • 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_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 28, Sequence coverage: 100.0%

     -----440-------450-------460
     SEWTERKTADGKTYYYNNRTAESTWEKP
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     SEWTERKTADGKTYYYNNRTAESTWEKP
     

   • Total number of restraints: 219
     • Sequential restraints, | i - j | = 1 : 92
       • Backbone-backbone: 36
       • Backbone-side chain: 52
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 23
       • Backbone-backbone: 5
       • Backbone-side chain: 10
       • Side chain-side chain: 8
     • Long range restraints, | i - j | >= 5 : 104
   • Weight of restraints: 1.0 (219)
     • Sequential restraints, | i - j | = 1 : 1.0 (92)
       • Backbone-backbone: 1.0 (36)
       • Backbone-side chain: 1.0 (52)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (23)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (10)
       • Side chain-side chain: 1.0 (8)
     • Long range restraints, | i - j | >= 5 : 1.0 (104)
   • Potential type of restraints: square-well-parabolic (219)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (92)
       • Backbone-backbone: square-well-parabolic (36)
       • Backbone-side chain: square-well-parabolic (52)
       • Side chain-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (23)
       • Backbone-backbone: square-well-parabolic (5)
       • Backbone-side chain: square-well-parabolic (10)
       • Side chain-side chain: square-well-parabolic (8)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (104)
   • Range of distance target values: 1.75, 5.49 (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