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

--300-----310-------320---
TNRRKXGKYKKVEIKELGELRKEPSL
||||||||||||||||||||||||||
TNRRKXGKYKKVEIKELGELRKEPSL
--------10--------20------

Chain assignments

Content subtype: combined_25273_2mvk.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: 92.3%

     --300-----310-------320---
     TNRRKXGKYKKVEIKELGELRKEPSL
      ||||| |||||||||||||||||||
     .NRRKX.KYKKVEIKELGELRKEPSL
     

   • Total number of assignments
     • ¹H chemical shifts: 131
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	183	131	71.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	53	45	84.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	130	86	66.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	6	54.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	2	50.0

   • 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: DYANA/DIANA_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 96.2%

     --300-----310-------320---
     TNRRKXGKYKKVEIKELGELRKEPSL
     ||||| ||||||||||||||||||||
     TNRRK.GKYKKVEIKELGELRKEPSL
     

   • Total number of restraints: 231
     • Intra-residue restraints, i = j : 157
     • Sequential restraints, | i - j | = 1 : 46
       • Backbone-backbone: 8
       • Backbone-side chain: 38
     • Medium range restraints, 1 < | i - j | < 5 : 23
       • Backbone-backbone: 7
       • Backbone-side chain: 11
       • Side chain-side chain: 5
     • Long range restraints, | i - j | >= 5 : 5
   • Weight of restraints: 1.0 (231)
     • Intra-residue restraints, i = j : 1.0 (157)
     • Sequential restraints, | i - j | = 1 : 1.0 (46)
       • Backbone-backbone: 1.0 (8)
       • Backbone-side chain: 1.0 (38)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (23)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (11)
       • Side chain-side chain: 1.0 (5)
     • Long range restraints, | i - j | >= 5 : 1.0 (5)
   • Potential type of restraints: upper-bound-parabolic (231)
     • Intra-residue restraints, i = j : upper-bound-parabolic (157)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (46)
       • Backbone-backbone: upper-bound-parabolic (8)
       • Backbone-side chain: upper-bound-parabolic (38)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (23)
       • Backbone-backbone: upper-bound-parabolic (7)
       • Backbone-side chain: upper-bound-parabolic (11)
       • Side chain-side chain: upper-bound-parabolic (5)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (5)
   • Range of distance target values: 1.57, 5.5 (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