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
TVFAFASMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSAE
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TVFAFASMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSAE

Chain assignments

Content subtype: combined_16504_2koe.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 40, Sequence coverage: 97.5%

     --------10--------20--------30--------40
     TVFAFASMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSAE
     ||||||||||||||||||||||||||||||||||||||| 
     TVFAFASMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSA 
     --------10--------20--------30--------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 214
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	243	214	88.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	78	75	96.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	165	139	84.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	27	23	85.2

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	26	13	50.0

   • 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: 40, Sequence coverage: 97.5%

     --------10--------20--------30--------40
     TVFAFASMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSAE
     ||||||||||||||||||||||||||||||||||||||| 
     TVFAFASMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSA 
     --------10--------20--------30--------- 
     

   • Total number of restraints: 1363
     • Intra-residue restraints, i = j : 678
     • Sequential restraints, | i - j | = 1 : 353
       • Backbone-backbone: 91
       • Backbone-side chain: 183
       • Side chain-side chain: 79
     • Medium range restraints, 1 < | i - j | < 5 : 290
       • Backbone-backbone: 88
       • Backbone-side chain: 102
       • Side chain-side chain: 100
     • Long range restraints, | i - j | >= 5 : 42
   • Weight of restraints: 1.0 (1363)
     • Intra-residue restraints, i = j : 1.0 (678)
     • Sequential restraints, | i - j | = 1 : 1.0 (353)
       • Backbone-backbone: 1.0 (91)
       • Backbone-side chain: 1.0 (183)
       • Side chain-side chain: 1.0 (79)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (290)
       • Backbone-backbone: 1.0 (88)
       • Backbone-side chain: 1.0 (102)
       • Side chain-side chain: 1.0 (100)
     • Long range restraints, | i - j | >= 5 : 1.0 (42)
   • Potential type of restraints: square-well-parabolic (1363)
     • Intra-residue restraints, i = j : square-well-parabolic (678)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (353)
       • Backbone-backbone: square-well-parabolic (91)
       • Backbone-side chain: square-well-parabolic (183)
       • Side chain-side chain: square-well-parabolic (79)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (290)
       • Backbone-backbone: square-well-parabolic (88)
       • Backbone-side chain: square-well-parabolic (102)
       • Side chain-side chain: square-well-parabolic (100)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (42)
   • Range of distance target values: 3.9, 3.9 (Å)
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A
   • Saveframe: CNS/XPLOR_distance_constraints_3
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 40, Sequence coverage: 70.0%

       --------10--------20--------30--------40
       TVFAFASMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSAE
       ||||||||||||||||        ||||||||||||    
       TVFAFASMLCLLNSTV........SKDLRHAFRSMF    
       --------10--------20--------30------    
       

     • Total number of restraints: 40
       • Total hydrogen bond restraints: 40
         • O...h-N: 20
         • O...H-x: 20
     • Weight of restraints: 1.0 (40)
       • Total hydrogen bond restraints: 1.0 (40)
         • O...h-N: 1.0 (20)
         • O...H-x: 1.0 (20)
     • Potential type of restraints: square-well-parabolic (40)
       • Total hydrogen bond restraints: square-well-parabolic (40)
         • O...h-N: square-well-parabolic (20)
         • O...H-x: square-well-parabolic (20)
     • Range of distance target values: 2.4, 2.9 (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