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--------40--------
SSLLEKGLDGAKKAVGGLGKLGKDAVEDLESVGKGAVHDVKDVLDSVL
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SSLLEKGLDGAKKAVGGLGKLGKDAVEDLESVGKGAVHDVKDVLDSVL

Chain assignments

Content subtype: combined_16817_2ksg.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 48, Sequence coverage: 97.9%

     --------10--------20--------30--------40--------
     SSLLEKGLDGAKKAVGGLGKLGKDAVEDLESVGKGAVHDVKDVLDSVL
      |||||||||||||||||||||||||||||||||||||||||||||||
     .SLLEKGLDGAKKAVGGLGKLGKDAVEDLESVGKGAVHDVKDVLDSVL
     

   • Total number of assignments
     • ¹H chemical shifts: 233
     • ¹⁵N chemical shifts: 47
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	261	233	89.3
         15N chemical shifts	48	47	97.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	104	102	98.1
         15N chemical shifts	48	47	97.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	157	131	83.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	32	94.1

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	0	0.0

   • 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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 48, Sequence coverage: 97.9%

     --------10--------20--------30--------40--------
     SSLLEKGLDGAKKAVGGLGKLGKDAVEDLESVGKGAVHDVKDVLDSVL
      |||||||||||||||||||||||||||||||||||||||||||||||
     .SLLEKGLDGAKKAVGGLGKLGKDAVEDLESVGKGAVHDVKDVLDSVL
     

   • Total number of restraints: 481
     • Intra-residue restraints, i = j : 131
     • Sequential restraints, | i - j | = 1 : 203
       • Backbone-backbone: 62
       • Backbone-side chain: 141
     • Medium range restraints, 1 < | i - j | < 5 : 146
       • Backbone-backbone: 77
       • Backbone-side chain: 69
     • Long range restraints, | i - j | >= 5 : 1
   • Weight of restraints: 1.0 (481)
     • Intra-residue restraints, i = j : 1.0 (131)
     • Sequential restraints, | i - j | = 1 : 1.0 (203)
       • Backbone-backbone: 1.0 (62)
       • Backbone-side chain: 1.0 (141)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (146)
       • Backbone-backbone: 1.0 (77)
       • Backbone-side chain: 1.0 (69)
     • Long range restraints, | i - j | >= 5 : 1.0 (1)
   • Potential type of restraints: square-well-parabolic (481)
     • Intra-residue restraints, i = j : square-well-parabolic (131)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (203)
       • Backbone-backbone: square-well-parabolic (62)
       • Backbone-side chain: square-well-parabolic (141)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (146)
       • Backbone-backbone: square-well-parabolic (77)
       • Backbone-side chain: square-well-parabolic (69)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (1)
   • Range of distance target values: 2.25, 3.65 (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_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 48, Sequence coverage: 58.3%

     --------10--------20--------30--------40--------
     SSLLEKGLDGAKKAVGGLGKLGKDAVEDLESVGKGAVHDVKDVLDSVL
      |||| ||||||         || ||||||||  ||  ||| |||   
     .SLLE.GLDGAK.........GK.AVEDLESV..GA..DVK.VLD   
     --------10--------20--------30--------40-----   
     

   • Total number of restraints: 17
     • Phi angle constraints: 17
   • Total number of restraints per polymer type: 17
     • Protein: 17
   • Weight of restraints: 1.0 (17)
     • Phi angle constraints: 1.0 (17)
   • Potential type of restraints: square-well-parabolic (17)
     • Phi angle constraints: square-well-parabolic (17)
   • Dihedral angle restraints per residue
     • Chain_ID: A