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

--450-------460-------470---
XKDQFIIAYGGLRGAIAFSLGYLLDKKX
||||||||||||||||||||||||||||
XKDQFIIAYGGLRGAIAFSLGYLLDKKX
--------10--------20--------

Chain assignments

Content subtype: combined_16056_2kbv.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Error

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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: 28, Sequence coverage: 92.9%

     --450-------460-------470---
     XKDQFIIAYGGLRGAIAFSLGYLLDKKX
      |||||||||||||||||||||||||| 
     .KDQFIIAYGGLRGAIAFSLGYLLDKK 
     --450-------460-------470-- 
     

   • Total number of restraints: 1142
     • Intra-residue restraints, i = j : 468
     • Sequential restraints, | i - j | = 1 : 363
       • Backbone-backbone: 82
       • Backbone-side chain: 203
       • Side chain-side chain: 78
     • Medium range restraints, 1 < | i - j | < 5 : 306
       • Backbone-backbone: 70
       • Backbone-side chain: 154
       • Side chain-side chain: 82
     • Long range restraints, | i - j | >= 5 : 5
   • Weight of restraints: 1.0 (1142)
     • Intra-residue restraints, i = j : 1.0 (468)
     • Sequential restraints, | i - j | = 1 : 1.0 (363)
       • Backbone-backbone: 1.0 (82)
       • Backbone-side chain: 1.0 (203)
       • Side chain-side chain: 1.0 (78)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (306)
       • Backbone-backbone: 1.0 (70)
       • Backbone-side chain: 1.0 (154)
       • Side chain-side chain: 1.0 (82)
     • Long range restraints, | i - j | >= 5 : 1.0 (5)
   • Potential type of restraints: square-well-parabolic (1142)
     • Intra-residue restraints, i = j : square-well-parabolic (468)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (363)
       • Backbone-backbone: square-well-parabolic (82)
       • Backbone-side chain: square-well-parabolic (203)
       • Side chain-side chain: square-well-parabolic (78)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (306)
       • Backbone-backbone: square-well-parabolic (70)
       • Backbone-side chain: square-well-parabolic (154)
       • Side chain-side chain: square-well-parabolic (82)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (5)
   • Range of distance target values: 2.3, 4.4 (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: 28, Sequence coverage: 64.3%

     --450-------460-------470---
     XKDQFIIAYGGLRGAIAFSLGYLLDKKX
       |||||||     |||||||||||   
     ..DQFIIAY.....AIAFSLGYLLD   
     --450-------460-------470   
     

   • Total number of restraints: 28
     • Phi angle constraints: 14
     • Psi angle constraints: 14
   • Total number of restraints per polymer type: 28
     • Protein: 28
   • Weight of restraints: 1.0 (28)
     • Phi angle constraints: 1.0 (14)
     • Psi angle constraints: 1.0 (14)
   • Potential type of restraints: square-well-parabolic (28)
     • Phi angle constraints: square-well-parabolic (14)
     • Psi angle constraints: square-well-parabolic (14)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A