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
GIPCGESCVWIPCISSAIGCSCKSKVCYRN
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GIPCGESCVWIPCISSAIGCSCKSKVCYRN

Chain assignments

Content subtype: combined_16073_2kcg.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 100.0%

     --------10--------20--------30
     GIPCGESCVWIPCISSAIGCSCKSKVCYRN
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     GIPCGESCVWIPCISSAIGCSCKSKVCYRN
     

   • Total number of assignments
     • ¹H chemical shifts: 159
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         23	LYS	HZ1	7.342
         23	LYS	HZ2	7.342
         23	LYS	HZ3	7.342
         25	LYS	HZ1	7.433
         25	LYS	HZ2	7.433
         25	LYS	HZ3	7.433

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	167	152	91.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	61	60	98.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	106	92	86.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	11	84.6

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	6	60.0

   • 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: CNS/XPLOR_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 96.7%

     --------10--------20--------30
     GIPCGESCVWIPCISSAIGCSCKSKVCYRN
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     GIPCGESCVWIPC.SSAIGCSCKSKVCYRN
     

   • Total number of restraints: 430
     • Intra-residue restraints, i = j : 131
     • Sequential restraints, | i - j | = 1 : 125
       • Backbone-backbone: 33
       • Backbone-side chain: 73
       • Side chain-side chain: 19
     • Medium range restraints, 1 < | i - j | < 5 : 59
       • Backbone-backbone: 10
       • Backbone-side chain: 19
       • Side chain-side chain: 30
     • Long range restraints, | i - j | >= 5 : 115
   • Weight of restraints: 1.0 (430)
     • Intra-residue restraints, i = j : 1.0 (131)
     • Sequential restraints, | i - j | = 1 : 1.0 (125)
       • Backbone-backbone: 1.0 (33)
       • Backbone-side chain: 1.0 (73)
       • Side chain-side chain: 1.0 (19)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (59)
       • Backbone-backbone: 1.0 (10)
       • Backbone-side chain: 1.0 (19)
       • Side chain-side chain: 1.0 (30)
     • Long range restraints, | i - j | >= 5 : 1.0 (115)
   • Potential type of restraints: square-well-parabolic (430)
     • Intra-residue restraints, i = j : square-well-parabolic (131)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (125)
       • Backbone-backbone: square-well-parabolic (33)
       • Backbone-side chain: square-well-parabolic (73)
       • Side chain-side chain: square-well-parabolic (19)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (59)
       • Backbone-backbone: square-well-parabolic (10)
       • Backbone-side chain: square-well-parabolic (19)
       • Side chain-side chain: square-well-parabolic (30)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (115)
   • Range of distance target values: 2.1, 4.53 (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