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--------
GFGCPFNENECHAHCLSIGRKFGFCAGPLRATCTCGKQ
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GFGCPFNENECHAHCLSIGRKFGFCAGPLRATCTCGKQ

Chain assignments

Content subtype: combined_18347_2lr5.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 38, Sequence coverage: 100.0%

     --------10--------20--------30--------
     GFGCPFNENECHAHCLSIGRKFGFCAGPLRATCTCGKQ
     ||||||||||||||||||||||||||||||||||||||
     GFGCPFNENECHAHCLSIGRKFGFCAGPLRATCTCGKQ
     

   • Total number of assignments
     • ¹H chemical shifts: 201
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         20	ARG	HH11	7.183
         20	ARG	HH12	7.183
         30	ARG	HH11	7.089
         30	ARG	HH12	7.089

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	216	197	91.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	80	75	93.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	136	122	89.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	10	90.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	24	20	83.3

   • 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_4
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 38, Sequence coverage: 94.7%

     --------10--------20--------30--------
     GFGCPFNENECHAHCLSIGRKFGFCAGPLRATCTCGKQ
     |||||||||||||||||||||||||||| | |||||||
     GFGCPFNENECHAHCLSIGRKFGFCAGP.R.TCTCGKQ
     

   • Total number of restraints: 336
     • Intra-residue restraints, i = j : 109
     • Sequential restraints, | i - j | = 1 : 123
       • Backbone-backbone: 48
       • Backbone-side chain: 73
       • Side chain-side chain: 2
     • Medium range restraints, 1 < | i - j | < 5 : 63
       • Backbone-backbone: 19
       • Backbone-side chain: 32
       • Side chain-side chain: 12
     • Long range restraints, | i - j | >= 5 : 41
   • Weight of restraints: 1.0 (336)
     • Intra-residue restraints, i = j : 1.0 (109)
     • Sequential restraints, | i - j | = 1 : 1.0 (123)
       • Backbone-backbone: 1.0 (48)
       • Backbone-side chain: 1.0 (73)
       • Side chain-side chain: 1.0 (2)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (63)
       • Backbone-backbone: 1.0 (19)
       • Backbone-side chain: 1.0 (32)
       • Side chain-side chain: 1.0 (12)
     • Long range restraints, | i - j | >= 5 : 1.0 (41)
   • Potential type of restraints: square-well-parabolic (336)
     • Intra-residue restraints, i = j : square-well-parabolic (109)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (123)
       • Backbone-backbone: square-well-parabolic (48)
       • Backbone-side chain: square-well-parabolic (73)
       • Side chain-side chain: square-well-parabolic (2)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (63)
       • Backbone-backbone: square-well-parabolic (19)
       • Backbone-side chain: square-well-parabolic (32)
       • Side chain-side chain: square-well-parabolic (12)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (41)
   • Range of distance target values: 2.18, 5.23 (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: CNS/XPLOR_distance_constraints_5
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 38, Sequence coverage: 42.1%
     • Total number of restraints: 22
       • Medium range restraints, 1 < | i - j | < 5 : 16
       • Long range restraints, | i - j | >= 5 : 6
     • Weight of restraints: 1.0 (22)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (16)
       • Long range restraints, | i - j | >= 5 : 1.0 (6)
     • Potential type of restraints: square-well-parabolic (22)
       • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (16)
       • Long range restraints, | i - j | >= 5 : square-well-parabolic (6)
     • Range of distance target values: 1.0, 1.5 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_2
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 38, Sequence coverage: 92.1%

     --------10--------20--------30--------
     GFGCPFNENECHAHCLSIGRKFGFCAGPLRATCTCGKQ
     |||||||||||||||||||||||||||   ||||||||
     GFGCPFNENECHAHCLSIGRKFGFCAG...ATCTCGKQ
     

   • Total number of restraints: 54
     • Phi angle constraints: 27
     • Psi angle constraints: 20
     • Chi1 angle constraints: 7
   • Total number of restraints per polymer type: 54
     • Protein: 54
   • Weight of restraints: 1.0 (54)
     • Phi angle constraints: 1.0 (27)
     • Psi angle constraints: 1.0 (20)
     • Chi1 angle constraints: 1.0 (7)
   • Potential type of restraints: square-well-parabolic (54)
     • Phi angle constraints: square-well-parabolic (27)
     • Psi angle constraints: square-well-parabolic (20)
     • Chi1 angle constraints: square-well-parabolic (7)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A