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
KMNMLKENVDYIQKNQNLFK
||||||||||||||||||||
KMNMLKENVDYIQKNQNLFK

Chain assignments

Content subtype: combined_25203_2mu9.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

     --------10--------20
     KMNMLKENVDYIQKNQNLFK
     ||||||||||||||||||||
     KMNMLKENVDYIQKNQNLFK
     

   • Total number of assignments
     • ¹H chemical shifts: 128
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	147	127	86.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	40	39	97.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	107	88	82.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	8	80.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Distance restraints

1. Saveframe: Discover_distance_constraints_5
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

     --------10--------20
     KMNMLKENVDYIQKNQNLFK
     ||||||||||||||||||||
     KMNMLKENVDYIQKNQNLFK
     

   • Total number of restraints: 270
     • Intra-residue restraints, i = j : 200
     • Sequential restraints, | i - j | = 1 : 43
       • Backbone-backbone: 24
       • Backbone-side chain: 16
       • Side chain-side chain: 3
     • Medium range restraints, 1 < | i - j | < 5 : 27
       • Backbone-backbone: 14
       • Backbone-side chain: 13
   • Weight of restraints: 1.0 (270)
     • Intra-residue restraints, i = j : 1.0 (200)
     • Sequential restraints, | i - j | = 1 : 1.0 (43)
       • Backbone-backbone: 1.0 (24)
       • Backbone-side chain: 1.0 (16)
       • Side chain-side chain: 1.0 (3)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (27)
       • Backbone-backbone: 1.0 (14)
       • Backbone-side chain: 1.0 (13)
   • Potential type of restraints: square-well-parabolic (270)
     • Intra-residue restraints, i = j : square-well-parabolic (200)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (43)
       • Backbone-backbone: square-well-parabolic (24)
       • Backbone-side chain: square-well-parabolic (16)
       • Side chain-side chain: square-well-parabolic (3)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (27)
       • Backbone-backbone: square-well-parabolic (14)
       • Backbone-side chain: square-well-parabolic (13)
   • Range of distance target values: 2.3, 4.75 (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
   • Saveframe: Discover_distance_constraints_4
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 60.0%

       --------10--------20
       KMNMLKENVDYIQKNQNLFK
         || ||||| ||| | |  
       ..NM.KENVD.IQK.Q.L  
       --------10--------  
       

     • Total number of restraints: 7
       • Total hydrogen bond restraints: 7
         • O...H-x: 7
     • Weight of restraints: 1.0 (7)
       • Total hydrogen bond restraints: 1.0 (7)
         • O...H-x: 1.0 (7)
     • Potential type of restraints: square-well-parabolic (7)
       • Total hydrogen bond restraints: square-well-parabolic (7)
         • O...H-x: square-well-parabolic (7)
     • Range of distance target values: 2.15, 2.15 (Å)
     • 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: Discover_dihedral_6
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

     --------10--------20
     KMNMLKENVDYIQKNQNLFK
     ||||||||||||||||||||
     KMNMLKENVDYIQKNQNLFK
     

   • Total number of restraints: 19
     • Omega angle constraints: 19
   • Total number of restraints per polymer type: 19
     • Protein: 19
   • Weight of restraints: 1.0 (19)
     • Omega angle constraints: 1.0 (19)
   • Potential type of restraints: square-well-parabolic (19)
     • Omega angle constraints: square-well-parabolic (19)
   • Dihedral angle restraints per residue
     • Chain_ID: A