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----
SEWTERKTADGKTYYYNNRTLESTWEKPQELK
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SEWTERKTADGKTYYYNNRTLESTWEKPQELK
--------10--------20--------30--

Chain assignments

Content subtype: combined_25315_2mwf.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 100.0%

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     SEWTERKTADGKTYYYNNRTLESTWEKPQELK
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   • Total number of assignments
     • ¹H chemical shifts: 184
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         440	THR	HG1	6.201

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	211	183	86.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	64	63	98.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	147	120	81.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	10	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: 32, Sequence coverage: 100.0%

     -----440-------450-------460----
     SEWTERKTADGKTYYYNNRTLESTWEKPQELK
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     SEWTERKTADGKTYYYNNRTLESTWEKPQELK
     

   • Total number of restraints: 258
     • Sequential restraints, | i - j | = 1 : 102
       • Backbone-backbone: 42
       • Backbone-side chain: 56
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 35
       • Backbone-backbone: 7
       • Backbone-side chain: 18
       • Side chain-side chain: 10
     • Long range restraints, | i - j | >= 5 : 121
   • Weight of restraints: 1.0 (258)
     • Sequential restraints, | i - j | = 1 : 1.0 (102)
       • Backbone-backbone: 1.0 (42)
       • Backbone-side chain: 1.0 (56)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (35)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (18)
       • Side chain-side chain: 1.0 (10)
     • Long range restraints, | i - j | >= 5 : 1.0 (121)
   • Potential type of restraints: square-well-parabolic (258)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (102)
       • Backbone-backbone: square-well-parabolic (42)
       • Backbone-side chain: square-well-parabolic (56)
       • Side chain-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (35)
       • Backbone-backbone: square-well-parabolic (7)
       • Backbone-side chain: square-well-parabolic (18)
       • Side chain-side chain: square-well-parabolic (10)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (121)
   • Range of distance target values: 1.75, 5.08 (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