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------
GFGALFKFLAKKVAKTVAKQAAKQGAKYVVNKQMEX
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GFGALFKFLAKKVAKTVAKQAAKQGAKYVVNKQMEX

Chain assignments

Content subtype: combined_17015_2k38.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 36, Sequence coverage: 97.2%

     --------10--------20--------30------
     GFGALFKFLAKKVAKTVAKQAAKQGAKYVVNKQMEX
     ||||||||||||||||||||||||||||||||||| 
     GFGALFKFLAKKVAKTVAKQAAKQGAKYVVNKQME 
     --------10--------20--------30----- 
     

   • Total number of assignments
     • ¹H chemical shifts: 225
     • ¹³C chemical shifts: 35
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	228	225	98.7
         13C chemical shifts	166	35	21.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	73	72	98.6
         13C chemical shifts	70	35	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	155	153	98.7
         13C chemical shifts	96	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	21	21	100.0
         13C chemical shifts	21	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	19	100.0
         13C chemical shifts	19	0	0.0

   • 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: 36, Sequence coverage: 97.2%

     --------10--------20--------30------
     GFGALFKFLAKKVAKTVAKQAAKQGAKYVVNKQMEX
     ||||||||||||||||||||||||||||||||||| 
     GFGALFKFLAKKVAKTVAKQAAKQGAKYVVNKQME 
     --------10--------20--------30----- 
     

   • Total number of restraints: 1050
     • Intra-residue restraints, i = j : 446
     • Sequential restraints, | i - j | = 1 : 316
       • Backbone-backbone: 80
       • Backbone-side chain: 176
       • Side chain-side chain: 60
     • Medium range restraints, 1 < | i - j | < 5 : 283
       • Backbone-backbone: 70
       • Backbone-side chain: 144
       • Side chain-side chain: 69
     • Long range restraints, | i - j | >= 5 : 5
   • Weight of restraints: 1.0 (1050)
     • Intra-residue restraints, i = j : 1.0 (446)
     • Sequential restraints, | i - j | = 1 : 1.0 (316)
       • Backbone-backbone: 1.0 (80)
       • Backbone-side chain: 1.0 (176)
       • Side chain-side chain: 1.0 (60)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (283)
       • Backbone-backbone: 1.0 (70)
       • Backbone-side chain: 1.0 (144)
       • Side chain-side chain: 1.0 (69)
     • Long range restraints, | i - j | >= 5 : 1.0 (5)
   • Potential type of restraints: square-well-parabolic (1050)
     • Intra-residue restraints, i = j : square-well-parabolic (446)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (316)
       • Backbone-backbone: square-well-parabolic (80)
       • Backbone-side chain: square-well-parabolic (176)
       • Side chain-side chain: square-well-parabolic (60)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (283)
       • Backbone-backbone: square-well-parabolic (70)
       • Backbone-side chain: square-well-parabolic (144)
       • Side chain-side chain: square-well-parabolic (69)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (5)
   • Range of distance target values: 1.65, 4.0 (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