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

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SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSFLIINAANCVA
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SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSFLIINAANCVA

Chain assignments

Content subtype: combined_15863_2k6a.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50--------60--------
     SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSFLIINAANCVA
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     SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSFLIINAANCVA
     

   • Total number of assignments
     • ¹H chemical shifts: 341
     • ¹⁵N chemical shifts: 72
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         16	LYS	HZ1	2.981
         16	LYS	HZ2	2.981
         16	LYS	HZ3	2.981

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	344	338	98.3
         15N chemical shifts	73	72	98.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	141	140	99.3
         15N chemical shifts	66	65	98.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	203	198	97.5
         15N chemical shifts	7	7	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	38	38	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	12	92.3

   • 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: 68, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50--------60--------
     SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSFLIINAANCVA
     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSFLIINAANCVA
     

   • Total number of restraints: 1124
     • Intra-residue restraints, i = j : 471
     • Sequential restraints, | i - j | = 1 : 360
       • Backbone-backbone: 149
       • Backbone-side chain: 180
       • Side chain-side chain: 31
     • Medium range restraints, 1 < | i - j | < 5 : 73
       • Backbone-backbone: 20
       • Backbone-side chain: 38
       • Side chain-side chain: 15
     • Long range restraints, | i - j | >= 5 : 220
   • Weight of restraints: 1.0 (1124)
     • Intra-residue restraints, i = j : 1.0 (471)
     • Sequential restraints, | i - j | = 1 : 1.0 (360)
       • Backbone-backbone: 1.0 (149)
       • Backbone-side chain: 1.0 (180)
       • Side chain-side chain: 1.0 (31)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (73)
       • Backbone-backbone: 1.0 (20)
       • Backbone-side chain: 1.0 (38)
       • Side chain-side chain: 1.0 (15)
     • Long range restraints, | i - j | >= 5 : 1.0 (220)
   • Potential type of restraints: square-well-parabolic (1124)
     • Intra-residue restraints, i = j : square-well-parabolic (471)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (360)
       • Backbone-backbone: square-well-parabolic (149)
       • Backbone-side chain: square-well-parabolic (180)
       • Side chain-side chain: square-well-parabolic (31)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (73)
       • Backbone-backbone: square-well-parabolic (20)
       • Backbone-side chain: square-well-parabolic (38)
       • Side chain-side chain: square-well-parabolic (15)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (220)
   • Range of distance target values: 1.4, 3.75 (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