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-------
GCCSNPACILNNPNQCX
|||||||||||||||||
GCCSNPACILNNPNQCX

Chain assignments

Content subtype: combined_25954_2nay.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 94.1%

     --------10-------
     GCCSNPACILNNPNQCX
     |||||||||||||||| 
     GCCSNPACILNNPNQC 
     --------10------ 
     

   • Total number of assignments
     • ¹H chemical shifts: 80
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	88	80	90.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	31	30	96.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	57	50	87.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	5	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

   • 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: 17, Sequence coverage: 94.1%

     --------10-------
     GCCSNPACILNNPNQCX
     |||||||||||||||| 
     GCCSNPACILNNPNQC 
     --------10------ 
     

   • Total number of restraints: 171
     • Intra-residue restraints, i = j : 87
     • Sequential restraints, | i - j | = 1 : 37
       • Backbone-backbone: 10
       • Backbone-side chain: 23
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 25
       • Backbone-backbone: 7
       • Backbone-side chain: 13
       • Side chain-side chain: 5
     • Long range restraints, | i - j | >= 5 : 22
   • Weight of restraints: 1.0 (171)
     • Intra-residue restraints, i = j : 1.0 (87)
     • Sequential restraints, | i - j | = 1 : 1.0 (37)
       • Backbone-backbone: 1.0 (10)
       • Backbone-side chain: 1.0 (23)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (25)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (13)
       • Side chain-side chain: 1.0 (5)
     • Long range restraints, | i - j | >= 5 : 1.0 (22)
   • Potential type of restraints: lower-bound-parabolic (1), square-well-parabolic (170)
     • Intra-residue restraints, i = j : lower-bound-parabolic (1), square-well-parabolic (86)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (37)
       • Backbone-backbone: square-well-parabolic (10)
       • Backbone-side chain: square-well-parabolic (23)
       • Side chain-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (25)
       • Backbone-backbone: square-well-parabolic (7)
       • Backbone-side chain: square-well-parabolic (13)
       • Side chain-side chain: square-well-parabolic (5)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (22)
   • Range of distance target values: 0.0, 5.58 (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