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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SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSGLIINAANCVA
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SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSGLIINAANCVA

Chain assignments

Content subtype: combined_17765_2lfn.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--------
     SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSGLIINAANCVA
     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSGLIINAANCVA
     

   • Total number of assignments
     • ¹H chemical shifts: 344
   • 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	7.449
         16	LYS	HZ2	7.449
         16	LYS	HZ3	7.449
         45	LYS	HZ1	7.578
         45	LYS	HZ2	7.578
         45	LYS	HZ3	7.578
         48	LYS	HZ1	7.449
         48	LYS	HZ2	7.449
         48	LYS	HZ3	7.449

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	338	335	99.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	142	141	99.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	196	194	99.0

       • 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	8	8	100.0

   • 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_3
   • 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--------
     SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSGLIINAANCVA
     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSGLIINAANCVA
     

   • Total number of restraints: 1649
     • Intra-residue restraints, i = j : 729
     • Sequential restraints, | i - j | = 1 : 418
       • Backbone-backbone: 147
       • Backbone-side chain: 236
       • Side chain-side chain: 35
     • Medium range restraints, 1 < | i - j | < 5 : 114
       • Backbone-backbone: 19
       • Backbone-side chain: 45
       • Side chain-side chain: 50
     • Long range restraints, | i - j | >= 5 : 388
   • Weight of restraints: 1.0 (1649)
     • Intra-residue restraints, i = j : 1.0 (729)
     • Sequential restraints, | i - j | = 1 : 1.0 (418)
       • Backbone-backbone: 1.0 (147)
       • Backbone-side chain: 1.0 (236)
       • Side chain-side chain: 1.0 (35)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (114)
       • Backbone-backbone: 1.0 (19)
       • Backbone-side chain: 1.0 (45)
       • Side chain-side chain: 1.0 (50)
     • Long range restraints, | i - j | >= 5 : 1.0 (388)
   • Potential type of restraints: square-well-parabolic (1649)
     • Intra-residue restraints, i = j : square-well-parabolic (729)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (418)
       • Backbone-backbone: square-well-parabolic (147)
       • Backbone-side chain: square-well-parabolic (236)
       • Side chain-side chain: square-well-parabolic (35)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (114)
       • Backbone-backbone: square-well-parabolic (19)
       • Backbone-side chain: square-well-parabolic (45)
       • Side chain-side chain: square-well-parabolic (50)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (388)
   • Range of distance target values: 1.55, 3.85 (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

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_2
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 63.2%

     --------10--------20--------30--------40--------50--------60--------
     SATTIGPNTCSIDDYKPYCCQSMSGSASLGCVVGVIGSQCGASVKCCKDDVTNTGNSGLIINAANCVA
     ||||  ||| ||||||||   ||  ||||||||||  || |||||||        || ||   |||  
     SATT..PNT.SIDDYKPY...SM..SASLGCVVGV..SQ.GASVKCC........NS.LI...ANC  
     --------10--------20--------30--------40--------50--------60------  
     

   • Total number of restraints: 25
     • Phi angle constraints: 25
   • Total number of restraints per polymer type: 25
     • Protein: 25
   • Weight of restraints: 1.0 (25)
     • Phi angle constraints: 1.0 (25)
   • Potential type of restraints: square-well-parabolic (25)
     • Phi angle constraints: square-well-parabolic (25)
   • Dihedral angle restraints per residue
     • Chain_ID: A