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): 1 vs Auth_asym_ID (model): 1

Chain assignments

Content subtype: combined_34268_6ggz.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 37, Sequence coverage: 100.0%

     --------10--------20--------30-------
     XIETNKKCQGGSCASVCRKVIGVAAGKCINGRCVCYP
     |||||||||||||||||||||||||||||||||||||
     XIETNKKCQGGSCASVCRKVIGVAAGKCINGRCVCYP
     

   • Total number of assignments
     • ¹H chemical shifts: 205
     • ¹⁵N chemical shifts: 34
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         4	THR	HG1	5.724

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	206	204	99.0
         15N chemical shifts	41	34	82.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	78	76	97.4
         15N chemical shifts	36	34	94.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	128	128	100.0
         15N chemical shifts	5	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	18	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	100.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1

Covalent bonds

1. Saveframe: assembly
   • Status: OK
   • Total number of restraints: 4
     • Sequential restraints, | i - j | = 1 : 1
       • Backbone-backbone: 1
     • Total disulfide bond restraints: 3
   • Covelent bonds on contact map
     • Chain_ID_1: 1 - Chain_ID_2: 1

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 37, Sequence coverage: 100.0%

     --------10--------20--------30-------
     XIETNKKCQGGSCASVCRKVIGVAAGKCINGRCVCYP
     |||||||||||||||||||||||||||||||||||||
     XIETNKKCQGGSCASVCRKVIGVAAGKCINGRCVCYP
     

   • Total number of restraints: 1353
     • Intra-residue restraints, i = j : 427
     • Sequential restraints, | i - j | = 1 : 290
       • Backbone-backbone: 87
       • Backbone-side chain: 165
       • Side chain-side chain: 38
     • Medium range restraints, 1 < | i - j | < 5 : 225
       • Backbone-backbone: 41
       • Backbone-side chain: 116
       • Side chain-side chain: 68
     • Long range restraints, | i - j | >= 5 : 411
   • Weight of restraints: 1.0 (1353)
     • Intra-residue restraints, i = j : 1.0 (427)
     • Sequential restraints, | i - j | = 1 : 1.0 (290)
       • Backbone-backbone: 1.0 (87)
       • Backbone-side chain: 1.0 (165)
       • Side chain-side chain: 1.0 (38)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (225)
       • Backbone-backbone: 1.0 (41)
       • Backbone-side chain: 1.0 (116)
       • Side chain-side chain: 1.0 (68)
     • Long range restraints, | i - j | >= 5 : 1.0 (411)
   • Potential type of restraints: square-well-parabolic (1353)
     • Intra-residue restraints, i = j : square-well-parabolic (427)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (290)
       • Backbone-backbone: square-well-parabolic (87)
       • Backbone-side chain: square-well-parabolic (165)
       • Side chain-side chain: square-well-parabolic (38)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (225)
       • Backbone-backbone: square-well-parabolic (41)
       • Backbone-side chain: square-well-parabolic (116)
       • Side chain-side chain: square-well-parabolic (68)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (411)
   • Range of distance target values: 1.4, 9.73 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in distance target values
   • Distance restraints per residue
     • Chain_ID: 1
   • Distance restraints on contact map
     • Chain_ID_1: 1 - Chain_ID_2: 1