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--------40----
VTCDVLSFEAKGIAVNHSACALHCIALRKKGGSCQNGVCVCRNX
||||||||||||||||||||||||||||||||||||||||||||
VTCDVLSFEAKGIAVNHSACALHCIALRKKGGSCQNGVCVCRNX

Chain assignments

Content subtype: combined_18146_2ln4.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 44, Sequence coverage: 97.7%

     --------10--------20--------30--------40----
     VTCDVLSFEAKGIAVNHSACALHCIALRKKGGSCQNGVCVCRNX
     ||||||||||||||||||||||||||||||||||||||||||| 
     VTCDVLSFEAKGIAVNHSACALHCIALRKKGGSCQNGVCVCRN 
     --------10--------20--------30--------40--- 
     

   • Total number of assignments
     • ¹H chemical shifts: 225
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         30	LYS	HZ1	7.543
         30	LYS	HZ2	7.543
         30	LYS	HZ3	7.543

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	234	222	94.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	90	87	96.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	144	135	93.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	26	23	88.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	9	100.0

   • 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: 44, Sequence coverage: 95.5%

     --------10--------20--------30--------40----
     VTCDVLSFEAKGIAVNHSACALHCIALRKKGGSCQNGVCVCRNX
      |||||||||||||||||||||||||||||||||||||||||| 
     .TCDVLSFEAKGIAVNHSACALHCIALRKKGGSCQNGVCVCRN 
     --------10--------20--------30--------40--- 
     

   • Total number of restraints: 663
     • Intra-residue restraints, i = j : 211
     • Sequential restraints, | i - j | = 1 : 225
       • Backbone-backbone: 59
       • Backbone-side chain: 133
       • Side chain-side chain: 33
     • Medium range restraints, 1 < | i - j | < 5 : 106
       • Backbone-backbone: 22
       • Backbone-side chain: 69
       • Side chain-side chain: 15
     • Long range restraints, | i - j | >= 5 : 121
   • Weight of restraints: 1.0 (663)
     • Intra-residue restraints, i = j : 1.0 (211)
     • Sequential restraints, | i - j | = 1 : 1.0 (225)
       • Backbone-backbone: 1.0 (59)
       • Backbone-side chain: 1.0 (133)
       • Side chain-side chain: 1.0 (33)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (106)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (69)
       • Side chain-side chain: 1.0 (15)
     • Long range restraints, | i - j | >= 5 : 1.0 (121)
   • Potential type of restraints: upper-bound-parabolic (663)
     • Intra-residue restraints, i = j : upper-bound-parabolic (211)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (225)
       • Backbone-backbone: upper-bound-parabolic (59)
       • Backbone-side chain: upper-bound-parabolic (133)
       • Side chain-side chain: upper-bound-parabolic (33)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (106)
       • Backbone-backbone: upper-bound-parabolic (22)
       • Backbone-side chain: upper-bound-parabolic (69)
       • Side chain-side chain: upper-bound-parabolic (15)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (121)
   • Range of distance target values: 2.74, 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