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--------40--------50--------
IYWIADQFGIHLATGTARKLLDAVASGASLGTAFAAILGVTLPAWALAAAGALGATAA
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IYWIADQFGIHLATGTARKLLDAVASGASLGTAFAAILGVTLPAWALAAAGALGATAA

Chain assignments

Content subtype: combined_25352_2mwr.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 58, Sequence coverage: 98.3%

     --------10--------20--------30--------40--------50--------
     IYWIADQFGIHLATGTARKLLDAVASGASLGTAFAAILGVTLPAWALAAAGALGATAA
     |||||||||||||||||||||||||||||||||||||||||||||||||||| |||||
     IYWIADQFGIHLATGTARKLLDAVASGASLGTAFAAILGVTLPAWALAAAGA.GATAA
     

   • Total number of assignments
     • ¹H chemical shifts: 279
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	291	278	95.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	122	118	96.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	169	160	94.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	51	49	96.1

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	28	26	92.9

   • 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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 58, Sequence coverage: 96.6%

     --------10--------20--------30--------40--------50--------
     IYWIADQFGIHLATGTARKLLDAVASGASLGTAFAAILGVTLPAWALAAAGALGATAA
     ||||||||||||||||||||||||||||||||||||||||||||||||||||  ||||
     IYWIADQFGIHLATGTARKLLDAVASGASLGTAFAAILGVTLPAWALAAAGA..ATAA
     

   • Total number of restraints: 999
     • Intra-residue restraints, i = j : 327
     • Sequential restraints, | i - j | = 1 : 297
       • Backbone-backbone: 44
       • Backbone-side chain: 184
       • Side chain-side chain: 69
     • Medium range restraints, 1 < | i - j | < 5 : 319
       • Backbone-backbone: 63
       • Backbone-side chain: 145
       • Side chain-side chain: 111
     • Long range restraints, | i - j | >= 5 : 56
   • Weight of restraints: 1.0 (999)
     • Intra-residue restraints, i = j : 1.0 (327)
     • Sequential restraints, | i - j | = 1 : 1.0 (297)
       • Backbone-backbone: 1.0 (44)
       • Backbone-side chain: 1.0 (184)
       • Side chain-side chain: 1.0 (69)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (319)
       • Backbone-backbone: 1.0 (63)
       • Backbone-side chain: 1.0 (145)
       • Side chain-side chain: 1.0 (111)
     • Long range restraints, | i - j | >= 5 : 1.0 (56)
   • Potential type of restraints: upper-bound-parabolic (999)
     • Intra-residue restraints, i = j : upper-bound-parabolic (327)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (297)
       • Backbone-backbone: upper-bound-parabolic (44)
       • Backbone-side chain: upper-bound-parabolic (184)
       • Side chain-side chain: upper-bound-parabolic (69)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (319)
       • Backbone-backbone: upper-bound-parabolic (63)
       • Backbone-side chain: upper-bound-parabolic (145)
       • Side chain-side chain: upper-bound-parabolic (111)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (56)
   • Range of distance target values: 2.48, 5.5 (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