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--
GILSSFKGVAKGVAKDLAGKLLETLKCKITGC
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GILSSFKGVAKGVAKDLAGKLLETLKCKITGC

Chain assignments

Content subtype: combined_15665_2k10.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 100.0%

     --------10--------20--------30--
     GILSSFKGVAKGVAKDLAGKLLETLKCKITGC
     ||||||||||||||||||||||||||||||||
     GILSSFKGVAKGVAKDLAGKLLETLKCKITGC
     

   • Total number of assignments
     • ¹H chemical shifts: 179
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	186	169	90.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	69	68	98.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	117	101	86.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	23	23	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	4	80.0

   • 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: 32, Sequence coverage: 100.0%

     --------10--------20--------30--
     GILSSFKGVAKGVAKDLAGKLLETLKCKITGC
     ||||||||||||||||||||||||||||||||
     GILSSFKGVAKGVAKDLAGKLLETLKCKITGC
     

   • Total number of restraints: 682
     • Intra-residue restraints, i = j : 266
     • Sequential restraints, | i - j | = 1 : 196
       • Backbone-backbone: 61
       • Backbone-side chain: 115
       • Side chain-side chain: 20
     • Medium range restraints, 1 < | i - j | < 5 : 209
       • Backbone-backbone: 71
       • Backbone-side chain: 92
       • Side chain-side chain: 46
     • Long range restraints, | i - j | >= 5 : 11
   • Weight of restraints: 1.0 (682)
     • Intra-residue restraints, i = j : 1.0 (266)
     • Sequential restraints, | i - j | = 1 : 1.0 (196)
       • Backbone-backbone: 1.0 (61)
       • Backbone-side chain: 1.0 (115)
       • Side chain-side chain: 1.0 (20)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (209)
       • Backbone-backbone: 1.0 (71)
       • Backbone-side chain: 1.0 (92)
       • Side chain-side chain: 1.0 (46)
     • Long range restraints, | i - j | >= 5 : 1.0 (11)
   • Potential type of restraints: upper-bound-parabolic (682)
     • Intra-residue restraints, i = j : upper-bound-parabolic (266)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (196)
       • Backbone-backbone: upper-bound-parabolic (61)
       • Backbone-side chain: upper-bound-parabolic (115)
       • Side chain-side chain: upper-bound-parabolic (20)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (209)
       • Backbone-backbone: upper-bound-parabolic (71)
       • Backbone-side chain: upper-bound-parabolic (92)
       • Side chain-side chain: upper-bound-parabolic (46)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (11)
   • Range of distance target values: 2.4, 8.65 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A