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------
SCKKECSGSRRTKKCMQKCNREHGHX
||||||||||||||||||||||||||
SCKKECSGSRRTKKCMQKCNREHGHX

Chain assignments

Content subtype: combined_26056_2ndd.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 88.5%

     --------10--------20------
     SCKKECSGSRRTKKCMQKCNREHGHX
      || ||||||||||||||||||||| 
     .CK.ECSGSRRTKKCMQKCNREHGH 
     --------10--------20----- 
     

   • Total number of assignments
     • ¹H chemical shifts: 126
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	162	126	77.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	52	48	92.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	110	78	70.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	1	50.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	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_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 88.5%

     --------10--------20------
     SCKKECSGSRRTKKCMQKCNREHGHX
      || ||||||||||||||||||||| 
     .CK.ECSGSRRTKKCMQKCNREHGH 
     --------10--------20----- 
     

   • Total number of restraints: 335
     • Intra-residue restraints, i = j : 130
     • Sequential restraints, | i - j | = 1 : 100
       • Backbone-backbone: 25
       • Backbone-side chain: 64
       • Side chain-side chain: 11
     • Medium range restraints, 1 < | i - j | < 5 : 104
       • Backbone-backbone: 18
       • Backbone-side chain: 58
       • Side chain-side chain: 28
     • Long range restraints, | i - j | >= 5 : 1
   • Weight of restraints: 1.0 (335)
     • Intra-residue restraints, i = j : 1.0 (130)
     • Sequential restraints, | i - j | = 1 : 1.0 (100)
       • Backbone-backbone: 1.0 (25)
       • Backbone-side chain: 1.0 (64)
       • Side chain-side chain: 1.0 (11)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (104)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (58)
       • Side chain-side chain: 1.0 (28)
     • Long range restraints, | i - j | >= 5 : 1.0 (1)
   • Potential type of restraints: square-well-parabolic (335)
     • Intra-residue restraints, i = j : square-well-parabolic (130)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (100)
       • Backbone-backbone: square-well-parabolic (25)
       • Backbone-side chain: square-well-parabolic (64)
       • Side chain-side chain: square-well-parabolic (11)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (104)
       • Backbone-backbone: square-well-parabolic (18)
       • Backbone-side chain: square-well-parabolic (58)
       • Side chain-side chain: square-well-parabolic (28)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (1)
   • Range of distance target values: 1.2, 2.75 (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_2
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 46.2%
   • Total number of restraints: 8
     • Phi angle constraints: 8
   • Total number of restraints per polymer type: 8
     • Protein: 8
   • Weight of restraints: 1.0 (8)
     • Phi angle constraints: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (8)
     • Phi angle constraints: square-well-parabolic (8)
   • Dihedral angle restraints per residue