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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MGSLFRSESMCLAQLFL
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MGSLFRSESMCLAQLFL

Chain assignments

Content subtype: combined_18658_2lx4.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

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     MGSLFRSESMCLAQLFL
     

   • 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	105	79	75.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	35	34	97.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	70	45	64.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	8	72.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	4	40.0

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

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

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     MGSLFRSESMCLAQLFL
     

   • Total number of restraints: 153
     • Intra-residue restraints, i = j : 54
     • Sequential restraints, | i - j | = 1 : 54
       • Backbone-backbone: 24
       • Backbone-side chain: 25
       • Side chain-side chain: 2
     • Medium range restraints, 1 < | i - j | < 5 : 45
       • Backbone-backbone: 22
       • Backbone-side chain: 19
       • Side chain-side chain: 4
   • Weight of restraints: 1.0 (153)
     • Intra-residue restraints, i = j : 1.0 (54)
     • Sequential restraints, | i - j | = 1 : 1.0 (54)
       • Backbone-backbone: 1.0 (24)
       • Backbone-side chain: 1.0 (25)
       • Side chain-side chain: 1.0 (2)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (45)
       • Backbone-backbone: 1.0 (22)
       • Backbone-side chain: 1.0 (19)
       • Side chain-side chain: 1.0 (4)
   • Potential type of restraints: upper-bound-parabolic (153)
     • Intra-residue restraints, i = j : upper-bound-parabolic (54)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (54)
       • Backbone-backbone: upper-bound-parabolic (24)
       • Backbone-side chain: upper-bound-parabolic (25)
       • Side chain-side chain: upper-bound-parabolic (2)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (45)
       • Backbone-backbone: upper-bound-parabolic (22)
       • Backbone-side chain: upper-bound-parabolic (19)
       • Side chain-side chain: upper-bound-parabolic (4)
   • Range of distance target values: 1.81, 7.67 (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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 76.5%

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     MGSLFRSESMCLAQLFL
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     ....FRSESMCLAQLFL
     

   • Total number of restraints: 20
     • Phi angle constraints: 10
     • Psi angle constraints: 10
   • Total number of restraints per polymer type: 20
     • Protein: 20
   • Weight of restraints: 1.0 (20)
     • Phi angle constraints: 1.0 (10)
     • Psi angle constraints: 1.0 (10)
   • Potential type of restraints: square-well-parabolic (20)
     • Phi angle constraints: square-well-parabolic (10)
     • Psi angle constraints: square-well-parabolic (10)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A