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--------50--------60-
AMGKCSVLKKVACAAAIAGAVAACGGIDLPCVLAALKAAEGCASCFCEDHCHGVCKDLHLC
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AMGKCSVLKKVACAAAIAGAVAACGGIDLPCVLAALKAAEGCASCFCEDHCHGVCKDLHLC

Chain assignments

Content subtype: combined_18357_2lrd.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 61, Sequence coverage: 98.4%

     --------10--------20--------30--------40--------50--------60-
     AMGKCSVLKKVACAAAIAGAVAACGGIDLPCVLAALKAAEGCASCFCEDHCHGVCKDLHLC
      ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .MGKCSVLKKVACAAAIAGAVAACGGIDLPCVLAALKAAEGCASCFCEDHCHGVCKDLHLC
     

   • Total number of assignments
     • ¹H chemical shifts: 286
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         50	HIS	HD1	6.549
         52	HIS	HD1	7.086
         59	HIS	HD1	7.281

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	304	244	80.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	127	124	97.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	177	120	67.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	36	87.8

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	5	45.5

   • 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_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 61, Sequence coverage: 98.4%

     --------10--------20--------30--------40--------50--------60-
     AMGKCSVLKKVACAAAIAGAVAACGGIDLPCVLAALKAAEGCASCFCEDHCHGVCKDLHLC
      ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .MGKCSVLKKVACAAAIAGAVAACGGIDLPCVLAALKAAEGCASCFCEDHCHGVCKDLHLC
     

   • Total number of restraints: 685
     • Intra-residue restraints, i = j : 210
     • Sequential restraints, | i - j | = 1 : 220
       • Backbone-backbone: 127
       • Backbone-side chain: 89
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 131
       • Backbone-backbone: 43
       • Backbone-side chain: 65
       • Side chain-side chain: 23
     • Long range restraints, | i - j | >= 5 : 124
   • Weight of restraints: 1.0 (685)
     • Intra-residue restraints, i = j : 1.0 (210)
     • Sequential restraints, | i - j | = 1 : 1.0 (220)
       • Backbone-backbone: 1.0 (127)
       • Backbone-side chain: 1.0 (89)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (131)
       • Backbone-backbone: 1.0 (43)
       • Backbone-side chain: 1.0 (65)
       • Side chain-side chain: 1.0 (23)
     • Long range restraints, | i - j | >= 5 : 1.0 (124)
   • Potential type of restraints: square-well-parabolic (685)
     • Intra-residue restraints, i = j : square-well-parabolic (210)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (220)
       • Backbone-backbone: square-well-parabolic (127)
       • Backbone-side chain: square-well-parabolic (89)
       • Side chain-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (131)
       • Backbone-backbone: square-well-parabolic (43)
       • Backbone-side chain: square-well-parabolic (65)
       • Side chain-side chain: square-well-parabolic (23)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (124)
   • Range of distance target values: 1.4, 2.5 (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