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-------
XGCILNGRTDLGTLLFRCRRDSDCPGACICRGNGYCG
|||||||||||||||||||||||||||||||||||||
XGCILNGRTDLGTLLFRCRRDSDCPGACICRGNGYCG

Chain assignments

Content subtype: combined_25845_2n8c.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 94.6%

     --------10--------20--------30-------
     XGCILNGRTDLGTLLFRCRRDSDCPGACICRGNGYCG
       |||||||||||||||||||||||||||||||||||
     ..CILNGRTDLGTLLFRCRRDSDCPGACICRGNGYCG
     

   • Total number of assignments
     • ¹H chemical shifts: 67
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         1	4LT

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	195	67	34.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	78	62	79.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	117	5	4.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	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: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 91.9%

     --------10--------20--------30-------
     XGCILNGRTDLGTLLFRCRRDSDCPGACICRGNGYCG
      ||||||  ||||||||||||||||||||||||||||
     .GCILNG..DLGTLLFRCRRDSDCPGACICRGNGYCG
     

   • Total number of restraints: 234
     • Intra-residue restraints, i = j : 1
     • Sequential restraints, | i - j | = 1 : 91
       • Backbone-backbone: 51
       • Backbone-side chain: 40
     • Medium range restraints, 1 < | i - j | < 5 : 45
       • Backbone-backbone: 17
       • Backbone-side chain: 28
     • Long range restraints, | i - j | >= 5 : 97
   • Weight of restraints: 1.0 (234)
     • Intra-residue restraints, i = j : 1.0 (1)
     • Sequential restraints, | i - j | = 1 : 1.0 (91)
       • Backbone-backbone: 1.0 (51)
       • Backbone-side chain: 1.0 (40)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (45)
       • Backbone-backbone: 1.0 (17)
       • Backbone-side chain: 1.0 (28)
     • Long range restraints, | i - j | >= 5 : 1.0 (97)
   • Potential type of restraints: upper-bound-parabolic (234)
     • Intra-residue restraints, i = j : upper-bound-parabolic (1)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (91)
       • Backbone-backbone: upper-bound-parabolic (51)
       • Backbone-side chain: upper-bound-parabolic (40)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (45)
       • Backbone-backbone: upper-bound-parabolic (17)
       • Backbone-side chain: upper-bound-parabolic (28)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (97)
   • Range of distance target values: 3.0, 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