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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MITDVQLAIFANMLGVSLFLLVVLYHYVAVNNPKKQE
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MITDVQLAIFANMLGVSLFLLVVLYHYVAVNNPKKQE

Chain assignments

Content subtype: combined_17537_2lat.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 94.6%

     --------10--------20--------30-------
     MITDVQLAIFANMLGVSLFLLVVLYHYVAVNNPKKQE
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     .ITDVQLAIFANMLGVSLFLLVVLYHYVAVNNPKKQ 
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   • Total number of assignments
     • ¹H chemical shifts: 156
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	231	156	67.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	74	69	93.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	157	87	55.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	23	67.6

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	4	20.0

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 94.6%

     --------10--------20--------30-------
     MITDVQLAIFANMLGVSLFLLVVLYHYVAVNNPKKQE
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     .ITDVQLAIFANMLGVSLFLLVVLYHYVAVNNPKKQ 
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   • Total number of restraints: 347
     • Intra-residue restraints, i = j : 129
     • Sequential restraints, | i - j | = 1 : 115
       • Backbone-backbone: 51
       • Backbone-side chain: 56
       • Side chain-side chain: 8
     • Medium range restraints, 1 < | i - j | < 5 : 103
       • Backbone-backbone: 59
       • Backbone-side chain: 37
       • Side chain-side chain: 7
   • Weight of restraints: 1.0 (347)
     • Intra-residue restraints, i = j : 1.0 (129)
     • Sequential restraints, | i - j | = 1 : 1.0 (115)
       • Backbone-backbone: 1.0 (51)
       • Backbone-side chain: 1.0 (56)
       • Side chain-side chain: 1.0 (8)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (103)
       • Backbone-backbone: 1.0 (59)
       • Backbone-side chain: 1.0 (37)
       • Side chain-side chain: 1.0 (7)
   • Potential type of restraints: upper-bound-parabolic (347)
     • Intra-residue restraints, i = j : upper-bound-parabolic (129)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (115)
       • Backbone-backbone: upper-bound-parabolic (51)
       • Backbone-side chain: upper-bound-parabolic (56)
       • Side chain-side chain: upper-bound-parabolic (8)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (103)
       • Backbone-backbone: upper-bound-parabolic (59)
       • Backbone-side chain: upper-bound-parabolic (37)
       • Side chain-side chain: upper-bound-parabolic (7)
   • Range of distance target values: 2.4, 7.29 (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: 37, Sequence coverage: 73.0%

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     MITDVQLAIFANMLGVSLFLLVVLYHYVAVNNPKKQE
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     ...DVQLAIFANMLGVSLFLLVVLYHYVAV       
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   • Total number of restraints: 26
     • Phi angle constraints: 26
   • Total number of restraints per polymer type: 26
     • Protein: 26
   • Weight of restraints: 1.0 (26)
     • Phi angle constraints: 1.0 (26)
   • Potential type of restraints: square-well-parabolic (26)
     • Phi angle constraints: square-well-parabolic (26)
   • Dihedral angle restraints per residue
     • Chain_ID: A