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

-20-------30--------40--------50--------60--------70-----
GDKEECTVPIGWSEPVKGLCKARFTRYYCMGNCCKVYEGCYTGGYSRMGECARNCPG
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GDKEECTVPIGWSEPVKGLCKARFTRYYCMGNCCKVYEGCYTGGYSRMGECARNCPG
--------10--------20--------30--------40--------50-------

Chain assignments

Content subtype: combined_17763_2lfk.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 100.0%

     -20-------30--------40--------50--------60--------70-----
     GDKEECTVPIGWSEPVKGLCKARFTRYYCMGNCCKVYEGCYTGGYSRMGECARNCPG
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     GDKEECTVPIGWSEPVKGLCKARFTRYYCMGNCCKVYEGCYTGGYSRMGECARNCPG
     

   • Total number of assignments
     • ¹H chemical shifts: 322
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         35	LYS	HZ1	7.462
         35	LYS	HZ2	7.462
         35	LYS	HZ3	7.462
         53	LYS	HZ1	7.41
         53	LYS	HZ2	7.41
         53	LYS	HZ3	7.41

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	330	316	95.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	120	117	97.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	210	199	94.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	17	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	31	29	93.5

   • 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: Warning

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: 57, Sequence coverage: 96.5%

     -20-------30--------40--------50--------60--------70-----
     GDKEECTVPIGWSEPVKGLCKARFTRYYCMGNCCKVYEGCYTGGYSRMGECARNCPG
       |||||||||||||||||||||||||||||||||||||||||||||||||||||||
     ..KEECTVPIGWSEPVKGLCKARFTRYYCMGNCCKVYEGCYTGGYSRMGECARNCPG
     

   • Total number of restraints: 1030
     • Intra-residue restraints, i = j : 308
     • Sequential restraints, | i - j | = 1 : 266
       • Backbone-backbone: 54
       • Backbone-side chain: 178
       • Side chain-side chain: 34
     • Medium range restraints, 1 < | i - j | < 5 : 183
       • Backbone-backbone: 23
       • Backbone-side chain: 73
       • Side chain-side chain: 87
     • Long range restraints, | i - j | >= 5 : 273
   • Weight of restraints: 1.0 (1030)
     • Intra-residue restraints, i = j : 1.0 (308)
     • Sequential restraints, | i - j | = 1 : 1.0 (266)
       • Backbone-backbone: 1.0 (54)
       • Backbone-side chain: 1.0 (178)
       • Side chain-side chain: 1.0 (34)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (183)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (73)
       • Side chain-side chain: 1.0 (87)
     • Long range restraints, | i - j | >= 5 : 1.0 (273)
   • Potential type of restraints: upper-bound-parabolic (1030)
     • Intra-residue restraints, i = j : upper-bound-parabolic (308)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (266)
       • Backbone-backbone: upper-bound-parabolic (54)
       • Backbone-side chain: upper-bound-parabolic (178)
       • Side chain-side chain: upper-bound-parabolic (34)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (183)
       • Backbone-backbone: upper-bound-parabolic (23)
       • Backbone-side chain: upper-bound-parabolic (73)
       • Side chain-side chain: upper-bound-parabolic (87)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (273)
   • Range of distance target values: 2.43, 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
   • Saveframe: DYANA/DIANA_distance_constraints_3
     • Status: Warning
     • Experiment type: disulfide_bond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 14.0%
     • Total number of restraints: 12
       • Long range restraints, | i - j | >= 5 : 8
       • Total disulfide bond restraints: 4
     • Weight of restraints: 1.0 (12)
       • Long range restraints, | i - j | >= 5 : 1.0 (8)
       • Total disulfide bond restraints: 1.0 (4)
     • Potential type of restraints: upper-bound-parabolic (12)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (8)
       • Total disulfide bond restraints: upper-bound-parabolic (4)
     • Range of distance target values: 2.1, 3.1 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map