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

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ACVTHEDCTLLCYDTIGTCVDGKCKCM
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ACVTHEDCTLLCYDTIGTCVDGKCKCM

Chain assignments

Content subtype: combined_17908_2lix.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 96.3%

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     ACVTHEDCTLLCYDTIGTCVDGKCKCM
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     ACVTHEDCTLLCYDTI.TCVDGKCKCM
     

   • Total number of assignments
     • ¹H chemical shifts: 132
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         5	HIS	HD1	7.192

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	139	130	93.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	56	52	92.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	78	94.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	15	93.8

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	2	33.3

   • 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: DYANA/DIANA_distance_constraints_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 96.3%

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     ACVTHEDCTLLCYDTIGTCVDGKCKCM
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     ACVTHEDCTLLCYDTI.TCVDGKCKCM
     

   • Total number of restraints: 310
     • Intra-residue restraints, i = j : 199
     • Sequential restraints, | i - j | = 1 : 63
       • Backbone-backbone: 24
       • Backbone-side chain: 35
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 21
       • Backbone-backbone: 6
       • Backbone-side chain: 14
       • Side chain-side chain: 1
     • Long range restraints, | i - j | >= 5 : 27
   • Weight of restraints: 1.0 (310)
     • Intra-residue restraints, i = j : 1.0 (199)
     • Sequential restraints, | i - j | = 1 : 1.0 (63)
       • Backbone-backbone: 1.0 (24)
       • Backbone-side chain: 1.0 (35)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (21)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (14)
       • Side chain-side chain: 1.0 (1)
     • Long range restraints, | i - j | >= 5 : 1.0 (27)
   • Potential type of restraints: upper-bound-parabolic (310)
     • Intra-residue restraints, i = j : upper-bound-parabolic (199)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (63)
       • Backbone-backbone: upper-bound-parabolic (24)
       • Backbone-side chain: upper-bound-parabolic (35)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (21)
       • Backbone-backbone: upper-bound-parabolic (6)
       • Backbone-side chain: upper-bound-parabolic (14)
       • Side chain-side chain: upper-bound-parabolic (1)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (27)
   • Range of distance target values: 2.4, 7.88 (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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_2
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 66.7%

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     ACVTHEDCTLLCYDTIGTCVDGKCKCM
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     ACVTHED.TLLCY........GKCKCM
     

   • Total number of restraints: 17
     • Psi angle constraints: 9
     • Phi angle constraints: 8
   • Total number of restraints per polymer type: 17
     • Protein: 17
   • Weight of restraints: 1.0 (17)
     • Psi angle constraints: 1.0 (9)
     • Phi angle constraints: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (17)
     • Psi angle constraints: square-well-parabolic (9)
     • Phi angle constraints: square-well-parabolic (8)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A