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--------
MATLEKLMKAFESLKSFX
||||||||||||||||||
MATLEKLMKAFESLKSFX

Chain assignments

Content subtype: combined_17642_2ld0.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 83.3%

     --------10--------
     MATLEKLMKAFESLKSFX
       ||||||||||||||| 
     ..TLEKLMKAFESLKSF 
     --------10------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 66
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	115	66	57.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	30	88.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	81	36	44.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	4	36.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	3	30.0

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 83.3%

     --------10--------
     MATLEKLMKAFESLKSFX
       ||||||||||||||| 
     ..TLEKLMKAFESLKSF 
     --------10------- 
     

   • Total number of restraints: 140
     • Intra-residue restraints, i = j : 56
     • Sequential restraints, | i - j | = 1 : 47
       • Backbone-backbone: 21
       • Backbone-side chain: 25
       • Side chain-side chain: 1
     • Medium range restraints, 1 < | i - j | < 5 : 37
       • Backbone-backbone: 18
       • Backbone-side chain: 15
       • Side chain-side chain: 4
   • Weight of restraints: 1.0 (140)
     • Intra-residue restraints, i = j : 1.0 (56)
     • Sequential restraints, | i - j | = 1 : 1.0 (47)
       • Backbone-backbone: 1.0 (21)
       • Backbone-side chain: 1.0 (25)
       • Side chain-side chain: 1.0 (1)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (37)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (15)
       • Side chain-side chain: 1.0 (4)
   • Potential type of restraints: square-well-parabolic (140)
     • Intra-residue restraints, i = j : square-well-parabolic (56)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (47)
       • Backbone-backbone: square-well-parabolic (21)
       • Backbone-side chain: square-well-parabolic (25)
       • Side chain-side chain: square-well-parabolic (1)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (37)
       • Backbone-backbone: square-well-parabolic (18)
       • Backbone-side chain: square-well-parabolic (15)
       • Side chain-side chain: square-well-parabolic (4)
   • Range of distance target values: 1.4, 2.5 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A