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---------
NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTG
|||||||||||||||||||||||||||||||||||||||
NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTG

Chain assignments

Content subtype: combined_15730_2k2y.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 39, Sequence coverage: 100.0%

     --------10--------20--------30---------
     NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTG
     |||||||||||||||||||||||||||||||||||||||
     NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTG
     

   • Total number of assignments
     • ¹H chemical shifts: 190
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	210	190	90.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	81	79	97.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	129	111	86.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	15	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

   • 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: 39, Sequence coverage: 100.0%

     --------10--------20--------30---------
     NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTG
     |||||||||||||||||||||||||||||||||||||||
     NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTG
     

   • Total number of restraints: 586
     • Intra-residue restraints, i = j : 223
     • Sequential restraints, | i - j | = 1 : 157
       • Backbone-backbone: 47
       • Backbone-side chain: 94
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 104
       • Backbone-backbone: 20
       • Backbone-side chain: 42
       • Side chain-side chain: 42
     • Long range restraints, | i - j | >= 5 : 102
   • Weight of restraints: 1.0 (586)
     • Intra-residue restraints, i = j : 1.0 (223)
     • Sequential restraints, | i - j | = 1 : 1.0 (157)
       • Backbone-backbone: 1.0 (47)
       • Backbone-side chain: 1.0 (94)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (104)
       • Backbone-backbone: 1.0 (20)
       • Backbone-side chain: 1.0 (42)
       • Side chain-side chain: 1.0 (42)
     • Long range restraints, | i - j | >= 5 : 1.0 (102)
   • Potential type of restraints: upper-bound-parabolic (586)
     • Intra-residue restraints, i = j : upper-bound-parabolic (223)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (157)
       • Backbone-backbone: upper-bound-parabolic (47)
       • Backbone-side chain: upper-bound-parabolic (94)
       • Side chain-side chain: upper-bound-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (104)
       • Backbone-backbone: upper-bound-parabolic (20)
       • Backbone-side chain: upper-bound-parabolic (42)
       • Side chain-side chain: upper-bound-parabolic (42)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (102)
   • Range of distance target values: 2.42, 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